debian/0000755000000000000000000000000012235427171007172 5ustar debian/changelog0000644000000000000000000002235512235427160011051 0ustar ifeffit (2:1.2.11d-9.1) unstable; urgency=low * Non-maintainer upload. * Rebuild against perl 5.18 (Closes: #721318) -- Andreas Beckmann Sun, 03 Nov 2013 12:07:28 +0100 ifeffit (2:1.2.11d-9) unstable; urgency=low * Change Build-Depends to libpng-dev instead of libpng12-dev (Closes: #662376) * Update to Standards-Version 3.9.3 (no changes) -- Carlo Segre Wed, 04 Jul 2012 15:09:00 -0500 ifeffit (2:1.2.11d-8) unstable; urgency=low * [Colin Watson ] Link against -lreadline, not /usr/lib/libreadline.a (Closes: #648839) * Change gs-common Build-Dep to ghostcript * Build for Perl 5.14 -- Carlo Segre Fri, 30 Dec 2011 14:23:35 -0600 ifeffit (2:1.2.11d-7) unstable; urgency=low * Rebuild for Perl 5.12 (Closes: #626584, #627748) * Transition to dh_python2 (Closes: #616846) * Upgrade to Standards-Version 3.9.2 (no changes) * Set Compatibility level to 8 -- Carlo Segre Sun, 19 Jun 2011 09:58:20 -0500 ifeffit (2:1.2.11d-6) unstable; urgency=low * Clean up build rules to minimize the size of diff.gz * Switch to dpkg-source 3.0 (quilt) format * Rename perl wrapper package to libifeffit-perl (Closes: #575933) -- Carlo Segre Wed, 07 Apr 2010 07:11:10 -0500 ifeffit (2:1.2.11d-5) unstable; urgency=low * Incorporate Ubuntu patch for --install-layout=deb in debian/rules -- Carlo Segre Sun, 21 Mar 2010 22:45:03 -0500 ifeffit (2:1.2.11d-4) unstable; urgency=low * Remove the \newif\ifpdf definitions in the documentation tree and replace with \usepackage{ifpdf} (Closes: #573161) * Upgrade to Standards-Version 3.8.4 (no changes) -- Carlo Segre Sun, 21 Mar 2010 12:09:45 -0500 ifeffit (2:1.2.11d-3) unstable; urgency=low * Update Standards-Version to 3.8.3 (no changes) * Remove libreadline5-dev Build-Dep (Closes: #553785) * Clean up all lintian errors: - insert Education top category in python-ifeffit.desktop - remove dh_desktop invocation in debian/rules - add ${misc:Depends} in all binary packages -- Carlo Segre Sun, 01 Nov 2009 20:49:05 -0600 ifeffit (2:1.2.11d-2) unstable; urgency=low * Modified src/lib/iff_show.f to solve crashing when certain strings are too long. -- Carlo Segre Thu, 05 Mar 2009 01:09:11 -0600 ifeffit (2:1.2.11d-1) unstable; urgency=low * New upstream release -- Carlo Segre Wed, 04 Feb 2009 23:06:50 -0600 ifeffit (2:1.2.11c-1) unstable; urgency=low * New upstream release -- Carlo Segre Mon, 17 Nov 2008 13:37:57 -0600 ifeffit (2:1.2.11b-1) unstable; urgency=low * New upstream release * Update to Standards-Version 3.8.0 (no changes) -- Carlo Segre Wed, 12 Nov 2008 09:23:20 -0600 ifeffit (2:1.2.10a-5) unstable; urgency=low * Rebuild for Perl 5.10 (no changes) -- Carlo Segre Sun, 04 May 2008 14:09:45 -0500 ifeffit (2:1.2.10a-4) unstable; urgency=low * Add Build-Dep on texlive-latex-base. * Build for python 2.5. -- Carlo Segre Wed, 16 Apr 2008 00:49:23 -0500 ifeffit (2:1.2.10a-3) unstable; urgency=low * Recompile to remove runtime error in fortran libraries (symbol lookup error) * Put python-ifeffit in Section contrib/python * Put perl-ifeffit in Section contrib/perl * Upgrade to Standards-Version 3.7.3 (no changes) -- Carlo Segre Sat, 29 Mar 2008 20:50:05 -0500 ifeffit (2:1.2.10a-2) unstable; urgency=low * Remove explicit dependence on libc6 which is covered by build-essential. -- Carlo Segre Sun, 23 Sep 2007 23:46:29 -0500 ifeffit (2:1.2.10a-1) unstable; urgency=low * New upstream release * Insert Homepage: field in debian/control * Change to gfortran * Versioned Depends: on pgplot5 compiled with -lpng * Remove 'readline' source from tarball * Bump epoch to 2 because of erroneous release of 1.3.0 -- Carlo Segre Thu, 20 Sep 2007 12:03:23 -0500 ifeffit (1:1.3.0-4) unstable; urgency=low * Added ifeffit dependency to perl-ifeffit (stupid oversight!) -- Carlo Segre Tue, 2 Jan 2007 00:29:32 -0600 ifeffit (1:1.3.0-3) unstable; urgency=low * Added Tag: field for Enrico Zini's testing * Modified descriptions for perl-ifeffit and python-ifeffit and corrected typo in initial paragraph (Closes: #382613) -- Carlo Segre Sat, 9 Sep 2006 00:43:57 -0500 ifeffit (1:1.3.0-2) unstable; urgency=low * Build-Dep on libc-dev for compatibility with all architectures (Closes: #386470) -- Carlo Segre Thu, 7 Sep 2006 22:05:31 -0500 ifeffit (1:1.3.0-1) unstable; urgency=low * New upstream release -- Carlo Segre Wed, 6 Sep 2006 07:24:28 -0500 ifeffit (1:1.2.9-2) unstable; urgency=low * Made changes in array allocation to reduce memory usage and speed performance. Original defaults too large on maxsca, maxtxt and mconst in src/lib/consts.h -- Carlo Segre Thu, 10 Aug 2006 10:20:30 -0500 ifeffit (1:1.2.9-1) unstable; urgency=low * First Debian release (Closes: #373207) * New upstream release * Cleaning up debian/rules file syntax * Adding pycentral support for compliance with new Python policy * Adding ifeffit-doc package with examples -- Carlo Segre Wed, 28 Jun 2006 10:55:53 -0500 ifeffit (1:1.2.8-1) unstable; urgency=low * New upstream release -- Carlo Segre Fri, 16 Sep 2005 14:14:00 -0500 ifeffit (1:1.2.7a-1) unstable; urgency=low * New upstream release * Change to standards version 3.6.2 -- Carlo Segre Fri, 29 Jul 2005 00:02:11 -0500 ifeffit (1:1.2.7-2) unstable; urgency=low * Removed all python versioning because of python-pmw being pinned to the default python version. -- Carlo Segre Tue, 7 Jun 2005 22:17:49 -0500 ifeffit (1:1.2.7-1) unstable; urgency=low * New upstream release -- Carlo Segre Tue, 12 Apr 2005 22:23:19 -0500 ifeffit (1:1.2.6a-2) unstable; urgency=low * Bring Ifeffit.pm (perl-ifeffit package) up to version 1.301 as in horae. -- Carlo Segre Thu, 2 Dec 2004 00:14:12 -0600 ifeffit (1:1.2.6a-1) unstable; urgency=low * New upstream release, allows for up to 99 data sets may be written out. -- Carlo Segre Sun, 14 Nov 2004 18:55:23 -0600 ifeffit (1:1.2.6-2) unstable; urgency=low * Uncommented lines in feff.f to permit output of chi files -- Carlo Segre Tue, 26 Oct 2004 17:57:55 -0500 ifeffit (1:1.2.6-1) unstable; urgency=low * New upstream release. -- Carlo Segre Sat, 10 Jul 2004 11:10:34 -0500 ifeffit (1:1.2.5-4) unstable; urgency=low * Fixed some build dependencies. * Removed python declaration in scripts where they are not necessary to satisfy lintian. * Removed ifeffit_shell.pl as upstream author says it is not really part of the package! -- Carlo Segre Wed, 9 Jun 2004 13:03:11 -0500 ifeffit (1:1.2.5-3) unstable; urgency=low * Fix build dependencies to make it build with pbuilder. * Upgrade to Standards-Version 3.6.1. -- Carlo Segre Sat, 24 Apr 2004 12:00:23 -0500 ifeffit (1:1.2.5-2) unstable; urgency=low * Made packages more lintian compliant. -- Carlo Segre Sun, 14 Mar 2004 15:52:20 -0600 ifeffit (1:1.2.5-1) unstable; urgency=low * New upstream release -- Carlo Segre Sat, 28 Feb 2004 17:59:24 -0600 ifeffit (1:1.2.4-6) unstable; urgency=low * Added manpages and documentation. -- Carlo Segre Sat, 10 Jan 2004 19:42:31 -0600 ifeffit (1:1.2.4-5) unstable; urgency=low * Removed compiled *.pyc and *.pyo files form package and have them generated and removed in the postinst prerm scripts. -- Carlo Segre Fri, 9 Jan 2004 09:56:25 -0600 ifeffit (1:1.2.4-4) unstable; urgency=low * Added build for perl wrapper -- Carlo Segre Sun, 21 Dec 2003 11:30:33 -0600 ifeffit (1:1.2.4-3) unstable; urgency=low * Fixed dependencies on python-tk -- Carlo Segre Sat, 20 Dec 2003 10:29:38 -0600 ifeffit (1:1.2.4-2) unstable; urgency=low * Added build for python wrapper and gifeffit -- Carlo Segre Fri, 19 Dec 2003 16:38:22 -0600 ifeffit (1:1.2.4-1) unstable; urgency=low * New upstream release -- Carlo Segre Thu, 30 Oct 2003 23:28:57 -0600 ifeffit (1:1.2.3-1) unstable; urgency=low * New upstream release -- Carlo Segre Sat, 27 Sep 2003 22:33:34 -0500 ifeffit (1:1.2.1-1) unstable; urgency=low * New upstream release -- Carlo Segre Tue, 20 May 2003 12:11:41 -0500 ifeffit (1:1.2.0-1) unstable; urgency=low * New upstream release. -- Carlo Segre Thu, 15 May 2003 11:08:52 -0500 ifeffit (1.0077-1) unstable; urgency=low * New upstream release, added epoch because of versioning change. -- Carlo Segre Tue, 6 May 2003 00:13:36 -0500 ifeffit (1.0076-1) unstable; urgency=low * Initial Release. * Adjusted to find pgplot5 libraries -- Carlo Segre Tue, 4 Mar 2003 21:01:36 -0600 debian/watch0000644000000000000000000000011611353423664010224 0ustar version=2 http://cars9.uchicago.edu/~ifeffit/src/ifeffit-(.*)\.tar\.gz debian debian/feff6.10000644000000000000000000000107111353423664010252 0ustar .TH FEFF6 1 "January 10, 2004" "V6.01" "IFEFFIT Suite" .SH NAME feff6 \- High-order multiple-scattering EXAFS/XANES code .SH SYNOPSIS .B feff6 .SH DESCRIPTION .B feff6 is a command line program which belongs to the IFEFFIT XAFS data analysis suite and is generally invoked from one of the interactive user interfaces, ifeffit or gifeffit. .PP Program documentation in PDF format may be found in /usr/share/doc/ifeffit/pdf/feff6.pdf .SH AUTHOR This manual page was written by Carlo Segre , for the Debian GNU/Linux system (but may be used by others). debian/diffkk.ps0000644000000000000000000055001411353423664011004 0ustar %!PS-Adobe-2.0 %%Creator: dvips(k) 5.78 Copyright 1998 Radical Eye Software (www.radicaleye.com) %%Title: diffkk.dvi %%Pages: 19 %%PageOrder: Ascend %%BoundingBox: 0 0 612 792 %%DocumentFonts: Times-Roman Times-Bold Courier-Oblique Times-Italic %%+ Courier Courier-BoldOblique %%EndComments %DVIPSCommandLine: dvips diffkk.dvi %DVIPSParameters: dpi=600, compressed %DVIPSSource: TeX output 1998.08.31:1854 %%BeginProcSet: texc.pro %! /TeXDict 300 dict def TeXDict begin /N{def}def /B{bind def}N /S{exch}N /X{S N}B /TR{translate}N /isls false N /vsize 11 72 mul N /hsize 8.5 72 mul N /landplus90{false}def /@rigin{isls{[0 landplus90{1 -1}{-1 1} ifelse 0 0 0]concat}if 72 Resolution div 72 VResolution div neg scale isls{landplus90{VResolution 72 div vsize mul 0 exch}{Resolution -72 div hsize mul 0}ifelse TR}if Resolution VResolution vsize -72 div 1 add mul TR[matrix currentmatrix{dup dup round sub abs 0.00001 lt{round}if} forall round exch round exch]setmatrix}N /@landscape{/isls true N}B /@manualfeed{statusdict /manualfeed true put}B /@copies{/#copies X}B /FMat[1 0 0 -1 0 0]N /FBB[0 0 0 0]N /nn 0 N /IE 0 N /ctr 0 N /df-tail{ /nn 8 dict N nn begin /FontType 3 N /FontMatrix fntrx N /FontBBox FBB N string /base X array /BitMaps X /BuildChar{CharBuilder}N /Encoding IE N end dup{/foo setfont}2 array copy cvx N load 0 nn put /ctr 0 N[}B /df{ /sf 1 N /fntrx FMat N df-tail}B /dfs{div /sf X /fntrx[sf 0 0 sf neg 0 0] N df-tail}B /E{pop nn dup definefont setfont}B /ch-width{ch-data dup length 5 sub get}B /ch-height{ch-data dup length 4 sub get}B /ch-xoff{ 128 ch-data dup length 3 sub get sub}B /ch-yoff{ch-data dup length 2 sub get 127 sub}B /ch-dx{ch-data dup length 1 sub get}B /ch-image{ch-data dup type /stringtype ne{ctr get /ctr ctr 1 add N}if}B /id 0 N /rw 0 N /rc 0 N /gp 0 N /cp 0 N /G 0 N /sf 0 N /CharBuilder{save 3 1 roll S dup /base get 2 index get S /BitMaps get S get /ch-data X pop /ctr 0 N ch-dx 0 ch-xoff ch-yoff ch-height sub ch-xoff ch-width add ch-yoff setcachedevice ch-width ch-height true[1 0 0 -1 -.1 ch-xoff sub ch-yoff .1 sub]/id ch-image N /rw ch-width 7 add 8 idiv string N /rc 0 N /gp 0 N /cp 0 N{rc 0 ne{rc 1 sub /rc X rw}{G}ifelse}imagemask restore}B /G{{id gp get /gp gp 1 add N dup 18 mod S 18 idiv pl S get exec}loop}B /adv{cp add /cp X}B /chg{rw cp id gp 4 index getinterval putinterval dup gp add /gp X adv}B /nd{/cp 0 N rw exit}B /lsh{rw cp 2 copy get dup 0 eq{pop 1}{ dup 255 eq{pop 254}{dup dup add 255 and S 1 and or}ifelse}ifelse put 1 adv}B /rsh{rw cp 2 copy get dup 0 eq{pop 128}{dup 255 eq{pop 127}{dup 2 idiv S 128 and or}ifelse}ifelse put 1 adv}B /clr{rw cp 2 index string putinterval adv}B /set{rw cp fillstr 0 4 index getinterval putinterval adv}B /fillstr 18 string 0 1 17{2 copy 255 put pop}for N /pl[{adv 1 chg} {adv 1 chg nd}{1 add chg}{1 add chg nd}{adv lsh}{adv lsh nd}{adv rsh}{ adv rsh nd}{1 add adv}{/rc X nd}{1 add set}{1 add clr}{adv 2 chg}{adv 2 chg nd}{pop nd}]dup{bind pop}forall N /D{/cc X dup type /stringtype ne{] }if nn /base get cc ctr put nn /BitMaps get S ctr S sf 1 ne{dup dup length 1 sub dup 2 index S get sf div put}if put /ctr ctr 1 add N}B /I{ cc 1 add D}B /bop{userdict /bop-hook known{bop-hook}if /SI save N @rigin 0 0 moveto /V matrix currentmatrix dup 1 get dup mul exch 0 get dup mul add .99 lt{/QV}{/RV}ifelse load def pop pop}N /eop{SI restore userdict /eop-hook known{eop-hook}if showpage}N /@start{userdict /start-hook known{start-hook}if pop /VResolution X /Resolution X 1000 div /DVImag X /IE 256 array N 2 string 0 1 255{IE S dup 360 add 36 4 index cvrs cvn put}for pop 65781.76 div /vsize X 65781.76 div /hsize X}N /p{show}N /RMat[1 0 0 -1 0 0]N /BDot 260 string N /rulex 0 N /ruley 0 N /v{/ruley X /rulex X V}B /V{}B /RV statusdict begin /product where{pop false[ (Display)(NeXT)(LaserWriter 16/600)]{dup length product length le{dup length product exch 0 exch getinterval eq{pop true exit}if}{pop}ifelse} forall}{false}ifelse end{{gsave TR -.1 .1 TR 1 1 scale rulex ruley false RMat{BDot}imagemask grestore}}{{gsave TR -.1 .1 TR rulex ruley scale 1 1 false RMat{BDot}imagemask grestore}}ifelse B /QV{gsave newpath transform round exch round exch itransform moveto rulex 0 rlineto 0 ruley neg rlineto rulex neg 0 rlineto fill grestore}B /a{moveto}B /delta 0 N /tail {dup /delta X 0 rmoveto}B /M{S p delta add tail}B /b{S p tail}B /c{-4 M} B /d{-3 M}B /e{-2 M}B /f{-1 M}B /g{0 M}B /h{1 M}B /i{2 M}B /j{3 M}B /k{ 4 M}B /w{0 rmoveto}B /l{p -4 w}B /m{p -3 w}B /n{p -2 w}B /o{p -1 w}B /q{ p 1 w}B /r{p 2 w}B /s{p 3 w}B /t{p 4 w}B /x{0 S rmoveto}B /y{3 2 roll p a}B /bos{/SS save N}B /eos{SS restore}B end %%EndProcSet %%BeginProcSet: 8r.enc % @@psencodingfile@{ % author = "S. Rahtz, P. MacKay, Alan Jeffrey, B. Horn, K. Berry", % version = "0.6", % date = "22 June 1996", % filename = "8r.enc", % email = "kb@@mail.tug.org", % address = "135 Center Hill Rd. // Plymouth, MA 02360", % codetable = "ISO/ASCII", % checksum = "119 662 4424", % docstring = "Encoding for TrueType or Type 1 fonts to be used with TeX." % @} % % Idea is to have all the characters normally included in Type 1 fonts % available for typesetting. This is effectively the characters in Adobe % Standard Encoding + ISO Latin 1 + extra characters from Lucida. % % Character code assignments were made as follows: % % (1) the Windows ANSI characters are almost all in their Windows ANSI % positions, because some Windows users cannot easily reencode the % fonts, and it makes no difference on other systems. The only Windows % ANSI characters not available are those that make no sense for % typesetting -- rubout (127 decimal), nobreakspace (160), softhyphen % (173). quotesingle and grave are moved just because it's such an % irritation not having them in TeX positions. % % (2) Remaining characters are assigned arbitrarily to the lower part % of the range, avoiding 0, 10 and 13 in case we meet dumb software. % % (3) Y&Y Lucida Bright includes some extra text characters; in the % hopes that other PostScript fonts, perhaps created for public % consumption, will include them, they are included starting at 0x12. % % (4) Remaining positions left undefined are for use in (hopefully) % upward-compatible revisions, if someday more characters are generally % available. % % (5) hyphen appears twice for compatibility with both ASCII and Windows. % /TeXBase1Encoding [ % 0x00 (encoded characters from Adobe Standard not in Windows 3.1) /.notdef /dotaccent /fi /fl /fraction /hungarumlaut /Lslash /lslash /ogonek /ring /.notdef /breve /minus /.notdef % These are the only two remaining unencoded characters, so may as % well include them. /Zcaron /zcaron % 0x10 /caron /dotlessi % (unusual TeX characters available in, e.g., Lucida Bright) /dotlessj /ff /ffi /ffl /.notdef /.notdef /.notdef /.notdef /.notdef /.notdef /.notdef /.notdef % very contentious; it's so painful not having quoteleft and quoteright % at 96 and 145 that we move the things normally found there down to here. /grave /quotesingle % 0x20 (ASCII begins) /space /exclam /quotedbl /numbersign /dollar /percent /ampersand /quoteright /parenleft /parenright /asterisk /plus /comma /hyphen /period /slash % 0x30 /zero /one /two /three /four /five /six /seven /eight /nine /colon /semicolon /less /equal /greater /question % 0x40 /at /A /B /C /D /E /F /G /H /I /J /K /L /M /N /O % 0x50 /P /Q /R /S /T /U /V /W /X /Y /Z /bracketleft /backslash /bracketright /asciicircum /underscore % 0x60 /quoteleft /a /b /c /d /e /f /g /h /i /j /k /l /m /n /o % 0x70 /p /q /r /s /t /u /v /w /x /y /z /braceleft /bar /braceright /asciitilde /.notdef % rubout; ASCII ends % 0x80 /.notdef /.notdef /quotesinglbase /florin /quotedblbase /ellipsis /dagger /daggerdbl /circumflex /perthousand /Scaron /guilsinglleft /OE /.notdef /.notdef /.notdef % 0x90 /.notdef /.notdef /.notdef /quotedblleft /quotedblright /bullet /endash /emdash /tilde /trademark /scaron /guilsinglright /oe /.notdef /.notdef /Ydieresis % 0xA0 /.notdef % nobreakspace /exclamdown /cent /sterling /currency /yen /brokenbar /section /dieresis /copyright /ordfeminine /guillemotleft /logicalnot /hyphen % Y&Y (also at 45); Windows' softhyphen /registered /macron % 0xD0 /degree /plusminus /twosuperior /threesuperior /acute /mu /paragraph /periodcentered /cedilla /onesuperior /ordmasculine /guillemotright /onequarter /onehalf /threequarters /questiondown % 0xC0 /Agrave /Aacute /Acircumflex /Atilde /Adieresis /Aring /AE /Ccedilla /Egrave /Eacute /Ecircumflex /Edieresis /Igrave /Iacute /Icircumflex /Idieresis % 0xD0 /Eth /Ntilde /Ograve /Oacute /Ocircumflex /Otilde /Odieresis /multiply /Oslash /Ugrave /Uacute /Ucircumflex /Udieresis /Yacute /Thorn /germandbls % 0xE0 /agrave /aacute /acircumflex /atilde /adieresis /aring /ae /ccedilla /egrave /eacute /ecircumflex /edieresis /igrave /iacute /icircumflex /idieresis % 0xF0 /eth /ntilde /ograve /oacute /ocircumflex /otilde /odieresis /divide /oslash /ugrave /uacute /ucircumflex /udieresis /yacute /thorn /ydieresis ] def %%EndProcSet %%BeginProcSet: texps.pro %! TeXDict begin /rf{findfont dup length 1 add dict begin{1 index /FID ne 2 index /UniqueID ne and{def}{pop pop}ifelse}forall[1 index 0 6 -1 roll exec 0 exch 5 -1 roll VResolution Resolution div mul neg 0 0]/Metrics exch def dict begin Encoding{exch dup type /integertype ne{pop pop 1 sub dup 0 le{pop}{[}ifelse}{FontMatrix 0 get div Metrics 0 get div def} ifelse}forall Metrics /Metrics currentdict end def[2 index currentdict end definefont 3 -1 roll makefont /setfont cvx]cvx def}def /ObliqueSlant {dup sin S cos div neg}B /SlantFont{4 index mul add}def /ExtendFont{3 -1 roll mul exch}def /ReEncodeFont{/Encoding exch def}def end %%EndProcSet %%BeginProcSet: special.pro %! TeXDict begin /SDict 200 dict N SDict begin /@SpecialDefaults{/hs 612 N /vs 792 N /ho 0 N /vo 0 N /hsc 1 N /vsc 1 N /ang 0 N /CLIP 0 N /rwiSeen false N /rhiSeen false N /letter{}N /note{}N /a4{}N /legal{}N}B /@scaleunit 100 N /@hscale{@scaleunit div /hsc X}B /@vscale{@scaleunit div /vsc X}B /@hsize{/hs X /CLIP 1 N}B /@vsize{/vs X /CLIP 1 N}B /@clip{ /CLIP 2 N}B /@hoffset{/ho X}B /@voffset{/vo X}B /@angle{/ang X}B /@rwi{ 10 div /rwi X /rwiSeen true N}B /@rhi{10 div /rhi X /rhiSeen true N}B /@llx{/llx X}B /@lly{/lly X}B /@urx{/urx X}B /@ury{/ury X}B /magscale true def end /@MacSetUp{userdict /md known{userdict /md get type /dicttype eq{userdict begin md length 10 add md maxlength ge{/md md dup length 20 add dict copy def}if end md begin /letter{}N /note{}N /legal{} N /od{txpose 1 0 mtx defaultmatrix dtransform S atan/pa X newpath clippath mark{transform{itransform moveto}}{transform{itransform lineto} }{6 -2 roll transform 6 -2 roll transform 6 -2 roll transform{ itransform 6 2 roll itransform 6 2 roll itransform 6 2 roll curveto}}{{ closepath}}pathforall newpath counttomark array astore /gc xdf pop ct 39 0 put 10 fz 0 fs 2 F/|______Courier fnt invertflag{PaintBlack}if}N /txpose{pxs pys scale ppr aload pop por{noflips{pop S neg S TR pop 1 -1 scale}if xflip yflip and{pop S neg S TR 180 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{pop S neg S TR pop 180 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{ppr 1 get neg ppr 0 get neg TR}if}{noflips{TR pop pop 270 rotate 1 -1 scale}if xflip yflip and{TR pop pop 90 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{TR pop pop 90 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{TR pop pop 270 rotate ppr 2 get ppr 0 get neg sub neg 0 S TR}if}ifelse scaleby96{ppr aload pop 4 -1 roll add 2 div 3 1 roll add 2 div 2 copy TR .96 dup scale neg S neg S TR}if}N /cp {pop pop showpage pm restore}N end}if}if}N /normalscale{Resolution 72 div VResolution 72 div neg scale magscale{DVImag dup scale}if 0 setgray} N /psfts{S 65781.76 div N}N /startTexFig{/psf$SavedState save N userdict maxlength dict begin /magscale true def normalscale currentpoint TR /psf$ury psfts /psf$urx psfts /psf$lly psfts /psf$llx psfts /psf$y psfts /psf$x psfts currentpoint /psf$cy X /psf$cx X /psf$sx psf$x psf$urx psf$llx sub div N /psf$sy psf$y psf$ury psf$lly sub div N psf$sx psf$sy scale psf$cx psf$sx div psf$llx sub psf$cy psf$sy div psf$ury sub TR /showpage{}N /erasepage{}N /copypage{}N /p 3 def @MacSetUp}N /doclip{ psf$llx psf$lly psf$urx psf$ury currentpoint 6 2 roll newpath 4 copy 4 2 roll moveto 6 -1 roll S lineto S lineto S lineto closepath clip newpath moveto}N /endTexFig{end psf$SavedState restore}N /@beginspecial{SDict begin /SpecialSave save N gsave normalscale currentpoint TR @SpecialDefaults count /ocount X /dcount countdictstack N}N /@setspecial {CLIP 1 eq{newpath 0 0 moveto hs 0 rlineto 0 vs rlineto hs neg 0 rlineto closepath clip}if ho vo TR hsc vsc scale ang rotate rwiSeen{rwi urx llx sub div rhiSeen{rhi ury lly sub div}{dup}ifelse scale llx neg lly neg TR }{rhiSeen{rhi ury lly sub div dup scale llx neg lly neg TR}if}ifelse CLIP 2 eq{newpath llx lly moveto urx lly lineto urx ury lineto llx ury lineto closepath clip}if /showpage{}N /erasepage{}N /copypage{}N newpath }N /@endspecial{count ocount sub{pop}repeat countdictstack dcount sub{ end}repeat grestore SpecialSave restore end}N /@defspecial{SDict begin} N /@fedspecial{end}B /li{lineto}B /rl{rlineto}B /rc{rcurveto}B /np{ /SaveX currentpoint /SaveY X N 1 setlinecap newpath}N /st{stroke SaveX SaveY moveto}N /fil{fill SaveX SaveY moveto}N /ellipse{/endangle X /startangle X /yrad X /xrad X /savematrix matrix currentmatrix N TR xrad yrad scale 0 0 1 startangle endangle arc savematrix setmatrix}N end %%EndProcSet TeXDict begin @defspecial /gnudict 40 dict def gnudict begin /Color false def /Solid false def /gnulinewidth 5.000 def /vshift -33 def /dl {10 mul} def /hpt 31.5 def /vpt 31.5 def /M {moveto} bind def /L {lineto} bind def /R {rmoveto} bind def /V {rlineto} bind def /vpt2 vpt 2 mul def /hpt2 hpt 2 mul def /Lshow { currentpoint stroke M 0 vshift R show } def /Rshow { currentpoint stroke M dup stringwidth pop neg vshift R show } def /Cshow { currentpoint stroke M dup stringwidth pop -2 div vshift R show } def /DL { Color {setrgbcolor Solid {pop []} if 0 setdash } {pop pop pop Solid {pop []} if 0 setdash} ifelse } def /BL { stroke gnulinewidth 2 mul setlinewidth } def /AL { stroke gnulinewidth 2 div setlinewidth } def /PL { stroke gnulinewidth setlinewidth } def /LTb { BL [] 0 0 0 DL } def /LTa { AL [1 dl 2 dl] 0 setdash 0 0 0 setrgbcolor } def /LT0 { PL [] 0 1 0 DL } def /LT1 { PL [4 dl 2 dl] 0 0 1 DL } def /LT2 { PL [2 dl 3 dl] 1 0 0 DL } def /LT3 { PL [1 dl 1.5 dl] 1 0 1 DL } def /LT4 { PL [5 dl 2 dl 1 dl 2 dl] 0 1 1 DL } def /LT5 { PL [4 dl 3 dl 1 dl 3 dl] 1 1 0 DL } def /LT6 { PL [2 dl 2 dl 2 dl 4 dl] 0 0 0 DL } def /LT7 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 1 0.3 0 DL } def /LT8 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 0.5 0.5 0.5 DL } def /P { stroke [] 0 setdash currentlinewidth 2 div sub M 0 currentlinewidth V stroke } def /D { stroke [] 0 setdash 2 copy vpt add M hpt neg vpt neg V hpt vpt neg V hpt vpt V hpt neg vpt V closepath stroke P } def /A { stroke [] 0 setdash vpt sub M 0 vpt2 V currentpoint stroke M hpt neg vpt neg R hpt2 0 V stroke } def /B { stroke [] 0 setdash 2 copy exch hpt sub exch vpt add M 0 vpt2 neg V hpt2 0 V 0 vpt2 V hpt2 neg 0 V closepath stroke P } def /C { stroke [] 0 setdash exch hpt sub exch vpt add M hpt2 vpt2 neg V currentpoint stroke M hpt2 neg 0 R hpt2 vpt2 V stroke } def /T { stroke [] 0 setdash 2 copy vpt 1.12 mul add M hpt neg vpt -1.62 mul V hpt 2 mul 0 V hpt neg vpt 1.62 mul V closepath stroke P } def /S { 2 copy A C} def end /gnudict 40 dict def gnudict begin /Color false def /Solid false def /gnulinewidth 5.000 def /vshift -33 def /dl {10 mul} def /hpt 31.5 def /vpt 31.5 def /M {moveto} bind def /L {lineto} bind def /R {rmoveto} bind def /V {rlineto} bind def /vpt2 vpt 2 mul def /hpt2 hpt 2 mul def /Lshow { currentpoint stroke M 0 vshift R show } def /Rshow { currentpoint stroke M dup stringwidth pop neg vshift R show } def /Cshow { currentpoint stroke M dup stringwidth pop -2 div vshift R show } def /DL { Color {setrgbcolor Solid {pop []} if 0 setdash } {pop pop pop Solid {pop []} if 0 setdash} ifelse } def /BL { stroke gnulinewidth 2 mul setlinewidth } def /AL { stroke gnulinewidth 2 div setlinewidth } def /PL { stroke gnulinewidth setlinewidth } def /LTb { BL [] 0 0 0 DL } def /LTa { AL [1 dl 2 dl] 0 setdash 0 0 0 setrgbcolor } def /LT0 { PL [] 0 1 0 DL } def /LT1 { PL [4 dl 2 dl] 0 0 1 DL } def /LT2 { PL [2 dl 3 dl] 1 0 0 DL } def /LT3 { PL [1 dl 1.5 dl] 1 0 1 DL } def /LT4 { PL [5 dl 2 dl 1 dl 2 dl] 0 1 1 DL } def /LT5 { PL [4 dl 3 dl 1 dl 3 dl] 1 1 0 DL } def /LT6 { PL [2 dl 2 dl 2 dl 4 dl] 0 0 0 DL } def /LT7 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 1 0.3 0 DL } def /LT8 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 0.5 0.5 0.5 DL } def /P { stroke [] 0 setdash currentlinewidth 2 div sub M 0 currentlinewidth V stroke } def /D { stroke [] 0 setdash 2 copy vpt add M hpt neg vpt neg V hpt vpt neg V hpt vpt V hpt neg vpt V closepath stroke P } def /A { stroke [] 0 setdash vpt sub M 0 vpt2 V currentpoint stroke M hpt neg vpt neg R hpt2 0 V stroke } def /B { stroke [] 0 setdash 2 copy exch hpt sub exch vpt add M 0 vpt2 neg V hpt2 0 V 0 vpt2 V hpt2 neg 0 V closepath stroke P } def /C { stroke [] 0 setdash exch hpt sub exch vpt add M hpt2 vpt2 neg V currentpoint stroke M hpt2 neg 0 R hpt2 vpt2 V stroke } def /T { stroke [] 0 setdash 2 copy vpt 1.12 mul add M hpt neg vpt -1.62 mul V hpt 2 mul 0 V hpt neg vpt 1.62 mul V closepath stroke P } def /S { 2 copy A C} def end /gnudict 40 dict def gnudict begin /Color false def /Solid false def /gnulinewidth 5.000 def /vshift -33 def /dl {10 mul} def /hpt 31.5 def /vpt 31.5 def /M {moveto} bind def /L {lineto} bind def /R {rmoveto} bind def /V {rlineto} bind def /vpt2 vpt 2 mul def /hpt2 hpt 2 mul def /Lshow { currentpoint stroke M 0 vshift R show } def /Rshow { currentpoint stroke M dup stringwidth pop neg vshift R show } def /Cshow { currentpoint stroke M dup stringwidth pop -2 div vshift R show } def /DL { Color {setrgbcolor Solid {pop []} if 0 setdash } {pop pop pop Solid {pop []} if 0 setdash} ifelse } def /BL { stroke gnulinewidth 2 mul setlinewidth } def /AL { stroke gnulinewidth 2 div setlinewidth } def /PL { stroke gnulinewidth setlinewidth } def /LTb { BL [] 0 0 0 DL } def /LTa { AL [1 dl 2 dl] 0 setdash 0 0 0 setrgbcolor } def /LT0 { PL [] 0 1 0 DL } def /LT1 { PL [4 dl 2 dl] 0 0 1 DL } def /LT2 { PL [2 dl 3 dl] 1 0 0 DL } def /LT3 { PL [1 dl 1.5 dl] 1 0 1 DL } def /LT4 { PL [5 dl 2 dl 1 dl 2 dl] 0 1 1 DL } def /LT5 { PL [4 dl 3 dl 1 dl 3 dl] 1 1 0 DL } def /LT6 { PL [2 dl 2 dl 2 dl 4 dl] 0 0 0 DL } def /LT7 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 1 0.3 0 DL } def /LT8 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 0.5 0.5 0.5 DL } def /P { stroke [] 0 setdash currentlinewidth 2 div sub M 0 currentlinewidth V stroke } def /D { stroke [] 0 setdash 2 copy vpt add M hpt neg vpt neg V hpt vpt neg V hpt vpt V hpt neg vpt V closepath stroke P } def /A { stroke [] 0 setdash vpt sub M 0 vpt2 V currentpoint stroke M hpt neg vpt neg R hpt2 0 V stroke } def /B { stroke [] 0 setdash 2 copy exch hpt sub exch vpt add M 0 vpt2 neg V hpt2 0 V 0 vpt2 V hpt2 neg 0 V closepath stroke P } def /C { stroke [] 0 setdash exch hpt sub exch vpt add M hpt2 vpt2 neg V currentpoint stroke M hpt2 neg 0 R hpt2 vpt2 V stroke } def /T { stroke [] 0 setdash 2 copy vpt 1.12 mul add M hpt neg vpt -1.62 mul V hpt 2 mul 0 V hpt neg vpt 1.62 mul V closepath stroke P } def /S { 2 copy A C} def end /gnudict 40 dict def gnudict begin /Color false def /Solid false def /gnulinewidth 5.000 def /vshift -33 def /dl {10 mul} def /hpt 31.5 def /vpt 31.5 def /M {moveto} bind def /L {lineto} bind def /R {rmoveto} bind def /V {rlineto} bind def /vpt2 vpt 2 mul def /hpt2 hpt 2 mul def /Lshow { currentpoint stroke M 0 vshift R show } def /Rshow { currentpoint stroke M dup stringwidth pop neg vshift R show } def /Cshow { currentpoint stroke M dup stringwidth pop -2 div vshift R show } def /DL { Color {setrgbcolor Solid {pop []} if 0 setdash } {pop pop pop Solid {pop []} if 0 setdash} ifelse } def /BL { stroke gnulinewidth 2 mul setlinewidth } def /AL { stroke gnulinewidth 2 div setlinewidth } def /PL { stroke gnulinewidth setlinewidth } def /LTb { BL [] 0 0 0 DL } def /LTa { AL [1 dl 2 dl] 0 setdash 0 0 0 setrgbcolor } def /LT0 { PL [] 0 1 0 DL } def /LT1 { PL [4 dl 2 dl] 0 0 1 DL } def /LT2 { PL [2 dl 3 dl] 1 0 0 DL } def /LT3 { PL [1 dl 1.5 dl] 1 0 1 DL } def /LT4 { PL [5 dl 2 dl 1 dl 2 dl] 0 1 1 DL } def /LT5 { PL [4 dl 3 dl 1 dl 3 dl] 1 1 0 DL } def /LT6 { PL [2 dl 2 dl 2 dl 4 dl] 0 0 0 DL } def /LT7 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 1 0.3 0 DL } def /LT8 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 0.5 0.5 0.5 DL } def /P { stroke [] 0 setdash currentlinewidth 2 div sub M 0 currentlinewidth V stroke } def /D { stroke [] 0 setdash 2 copy vpt add M hpt neg vpt neg V hpt vpt neg V hpt vpt V hpt neg vpt V closepath stroke P } def /A { stroke [] 0 setdash vpt sub M 0 vpt2 V currentpoint stroke M hpt neg vpt neg R hpt2 0 V stroke } def /B { stroke [] 0 setdash 2 copy exch hpt sub exch vpt add M 0 vpt2 neg V hpt2 0 V 0 vpt2 V hpt2 neg 0 V closepath stroke P } def /C { stroke [] 0 setdash exch hpt sub exch vpt add M hpt2 vpt2 neg V currentpoint stroke M hpt2 neg 0 R hpt2 vpt2 V stroke } def /T { stroke [] 0 setdash 2 copy vpt 1.12 mul add M hpt neg vpt -1.62 mul V hpt 2 mul 0 V hpt neg vpt 1.62 mul V closepath stroke P } def /S { 2 copy A C} def end @fedspecial end TeXDict begin 40258431 52099146 1000 600 600 (diffkk.dvi) @start /Fa 135[55 2[55 55 6[55 8[55 2[55 50[55 46[{TeXBase1Encoding ReEncodeFont}7 90.9091 /Courier-BoldOblique rf /Fb 135[60 2[60 60 6[60 8[60 2[60 50[60 46[{TeXBase1Encoding ReEncodeFont}7 99.6264 /Courier-BoldOblique rf /Fc 138[37 5[37 37 1[21 3[37 37 1[33 37 33 99[{TeXBase1Encoding ReEncodeFont}9 74.7198 /Times-Italic rf %DVIPSBitmapFont: Fd cmr12 12 2 /Fd 2 42 df<140C141C1438147014E0EB01C01303EB0780EB0F00A2131E5BA25B13F85B 12015B1203A2485AA3485AA348C7FCA35AA2123EA2127EA4127CA312FCB3A2127CA3127E A4123EA2123FA27EA36C7EA36C7EA36C7EA212017F12007F13787FA27F7FA2EB0780EB03 C01301EB00E014701438141C140C166476CA26>40 D<12C07E12707E7E7E120F6C7E6C7E A26C7E6C7EA21378137C133C133E131E131FA2EB0F80A3EB07C0A3EB03E0A314F0A21301 A214F8A41300A314FCB3A214F8A31301A414F0A21303A214E0A3EB07C0A3EB0F80A3EB1F 00A2131E133E133C137C13785BA2485A485AA2485A48C7FC120E5A5A5A5A5A16647BCA26 >I E %EndDVIPSBitmapFont %DVIPSBitmapFont: Fe cmmi12 12 3 /Fe 3 103 df<147002F8140E0101153FA301035DA24A147EA2010715FEA24A5CA2010F 1401A24A5CA2011F1403A24A5CA2013F1407A291C75BA249140FA2017E5DA201FE021F13 18183849ED8030A20001033F13701860EE7F005E486C16E0DB01DF13C09238039F016DD9 071F1380489039801E0F83903BF7C078078700903AE1FFE003FE903AE07F8000F8000F90 CAFCA25BA2121FA25BA2123FA290CBFCA25AA2127EA212FEA25A123835417DAB3B>22 D<91B912FCA3020001C0C7123F6F48EC03F803FF1501190093C91278A21A385C5DA30203 17305DA314074B1460A218E0020F4B13005DA21701021F5D4B13031707170F023F027FC8 FC92B6FCA391397FC0007E4B131EA2170E02FF140C92C7FCA2171C49031813035C611906 010392C7FC4A160E190C191C010717184A163819301970130F4A5E180161011F16034A15 074E5A013F163F4EC7FC4AEC03FF01FFED3FFEB9FCA26046447CC348>69 D102 D E %EndDVIPSBitmapFont %DVIPSBitmapFont: Ff cmr9 9 1 /Ff 1 49 df48 D E %EndDVIPSBitmapFont %DVIPSBitmapFont: Fg cmmi9 9 5 /Fg 5 111 df<17E001C0EC01F00001ED03F8485A90C8FC48150100061500000E167812 0C001C163812180038010314300030497EA217700070010F1460006091C7FC17E0A2021E EB01C012E0EE0380021C13076C013C1400027E5B6C01FE133E267801FF137ED87E07EB81 FC3A7FFFEFFFF802CF5B6C018F5B261FFE075B6C486C90C7FC3903F000FC2D2280A030> 33 D<171C177EEE01FEEE07FCEE1FF0EE7FC0923801FF00ED07FCED1FF0ED7FC04A48C7 FCEC07FCEC1FF0EC7FC04948C8FCEB07FCEB1FF0EB7FC04848C9FCEA07FCEA1FF0EA7FC0 48CAFCA2EA7FC0EA1FF0EA07FCEA01FF38007FC0EB1FF0EB07FCEB01FF9038007FC0EC1F F0EC07FCEC01FF9138007FC0ED1FF0ED07FCED01FF9238007FC0EE1FF0EE07FCEE01FEEE 007E171C2F2E7AA93C>60 D<15301578A215F815F0A2140115E0A2140315C014071580A2 140F1500A25C141EA2143E143CA2147C1478A214F85C13015CA213035CA213075CA2130F 91C7FCA25B131EA2133E133CA2137C137813F85BA212015BA212035BA212075BA2120F90 C8FCA25A121E123E123CA2127C1278A212F85AA212601D4B7CB726>I100 D110 D E %EndDVIPSBitmapFont /Fh 105[37 28[37 37 54 37 37 21 29 25 37 37 37 37 58 21 37 1[21 37 37 25 33 37 33 37 33 3[25 1[25 2[54 71 54 1[46 42 50 5[46 54 1[25 2[42 2[50 1[54 15[37 37 1[19 25 19 4[25 35[42 3[{TeXBase1Encoding ReEncodeFont}46 74.7198 /Times-Roman rf /Fi 204[25 25 25 49[{ TeXBase1Encoding ReEncodeFont}3 49.8132 /Times-Roman rf /Fj 204[33 33 33 49[{TeXBase1Encoding ReEncodeFont}3 66.4176 /Times-Roman rf %DVIPSBitmapFont: Fk cmsy10 10.95 4 /Fk 4 50 df<007FB812FEBAFCA26C17FE3804799847>0 D<121EEA7F80A2EAFFC0A4EA 7F80A2EA1E000A0A799B19>I24 D49 D E %EndDVIPSBitmapFont %DVIPSBitmapFont: Fl cmmi8 8 7 /Fl 7 108 df<123C127E12FFA4127E123C08087A8714>58 D<15C0140114031580A214 071500A25C140EA2141E141CA2143C143814781470A214F05CA213015CA213035C130791 C7FCA25B130EA2131E131CA2133C1338A21378137013F05BA212015BA212035BA2120790 C8FC5A120EA2121E121CA2123C1238A212781270A212F05AA21A437CB123>61 D78 D 101 D<1307EB0F80EB1FC0A2EB0F80EB070090C7FCA9EA01E0EA07F8EA0E3CEA1C3E1238 12301270EA607EEAE07C12C013FC485A120012015B12035BA21207EBC04014C0120F1380 1381381F01801303EB0700EA0F06131EEA07F8EA01F0122E7EAC18>105 D<15E0EC01F01403A3EC01C091C7FCA9147CEB03FE9038078F80EB0E07131C013813C013 30EB700F0160138013E013C0EB801F13001500A25CA2143EA2147EA2147CA214FCA25CA2 1301A25CA21303A25CA2130700385BEAFC0F5C49C7FCEAF83EEAF0F8EA7FF0EA1F801C3B 81AC1D>I<131FEA03FFA2EA003FA2133EA2137EA2137CA213FCA25BA2120115F89038F0 03FCEC0F0E0003EB1C1EEC387EEBE07014E03807E1C09038E3803849C7FC13CEEA0FDC13 F8A2EBFF80381F9FE0EB83F0EB01F81300481404150C123EA2007E141C1518007CEBF038 ECF83000FC1470EC78E048EB3FC00070EB0F801F2F7DAD25>I E %EndDVIPSBitmapFont %DVIPSBitmapFont: Fm cmex10 10 2 /Fm 2 91 df88 D90 D E %EndDVIPSBitmapFont %DVIPSBitmapFont: Fn cmbx10 10.95 2 /Fn 2 115 df113 D<3901FE01FE00FF903807FF804A13E091381F0FF0EC3C1F00079038783FF8000313F014 E013FF14C0ED1FF09138800FE0ED07C092C7FCA291C8FCB3A3B6FCA425287DA72B>I E %EndDVIPSBitmapFont /Fo 134[50 50 50 50 50 50 50 50 1[50 50 50 50 50 50 1[50 50 50 50 50 50 50 50 50 3[50 1[50 3[50 50 2[50 50 1[50 2[50 50 50 4[50 50 50 50 50 2[50 50 50 2[50 50 50 50 1[50 50 1[50 50 50 1[50 50 50 1[50 50 50 50 4[50 34[{ TeXBase1Encoding ReEncodeFont}58 83.022 /Courier rf /Fp 180[62 1[31 2[49 53 58 68[{TeXBase1Encoding ReEncodeFont}5 79.701 /Times-Bold rf /Fq 131[55 1[55 55 55 55 55 55 55 55 55 1[55 55 55 55 55 55 1[55 55 55 55 55 55 55 55 55 1[55 2[55 1[55 55 55 4[55 3[55 55 1[55 5[55 55 1[55 55 55 1[55 1[55 3[55 55 55 55 55 55 1[55 55 55 55 55 55 55 1[55 55 55 1[55 55 1[55 35[{TeXBase1Encoding ReEncodeFont}60 90.9091 /Courier rf /Fr 134[40 2[40 45 25 35 35 1[45 45 45 66 25 40 1[25 45 45 25 40 45 40 45 45 8[56 3[51 45 56 1[56 66 6[66 2[56 66 61 1[56 6[30 11[23 30 45[{ TeXBase1Encoding ReEncodeFont}35 90.9091 /Times-Italic rf %DVIPSBitmapFont: Fs cmr8 8 19 /Fs 19 120 df48 D<130C133C137CEA03FC12FFEAFC7C1200 B3B113FE387FFFFEA2172C7AAB23>III54 D56 D61 D<4A7E4A7EA34A7EA24A7EA3EC1BF81419A2EC30FCA2EC70FEEC607EA24A7E A349486C7EA2010380EC000FA201066D7EA3496D7EA2011FB57EA29038180001496D7EA3 49147EA201E0147F4980A20001ED1F801203000716C0D80FF0EC3FE0D8FFFC0103B5FCA2 302F7EAE35>65 D67 D70 D76 D<90383F80303901FFF0703807C07C390F000EF0001E13074813 034813011400127000F01470A315307EA26C1400127E127FEA3FE013FE381FFFE06C13FC 6C13FF00011480D8003F13E013039038003FF0EC07F81401140015FC157C12C0153CA37E A215787E6C14706C14F06CEB01E039F78003C039E3F00F0038E07FFE38C00FF01E2F7CAD 27>83 D<3B7FFFE003FFF8A2000390C713806C48EC7E000000157C017F14786D14706E5B 6D6C5B6D6C485A15036D6C48C7FC903803F80601015BECFC1C6D6C5AEC7F305DEC3FE06E 5A140F816E7E81140DEC1DFCEC38FEEC307F14609138E03F8049486C7EEC800FD903007F 496D7E010E6D7E130C011C6D7E496D7E49147E167F01F0EC3F80000316C0D80FF8EC7FE0 D8FFFE0103B5FCA2302D7EAC35>88 D<013F13F89038FFC3FE3903E1FF1E3807807C000F 140C391F003E00A2003E7FA76C133EA26C6C5A00071378380FE1F0380CFFC0D81C3FC7FC 90C8FCA3121E121F380FFFF814FF6C14C04814F0391E0007F848130048147C12F848143C A46C147C007C14F86CEB01F06CEB03E03907E01F803901FFFE0038003FF01F2D7E9D23> 103 DII108 D111 D<3BFFFC3FFE07FFA23B0FE003F001F801C09038E000F00007010114E08126 03E00314C0A2913807F8012701F006781380A29039F80E7C030000D90C3C1300A290397C 181E06A2151F6D486C5AA2168C90391F600798A216D890390FC003F0A36D486C5AA36DC7 5A301E7F9C33>119 D E %EndDVIPSBitmapFont /Ft 171[64 7[64 74 1[37 2[58 64 69 2[69 65[{ TeXBase1Encoding ReEncodeFont}8 95.6413 /Times-Bold rf /Fu 87[33 46[50 50 72 50 55 33 39 44 1[55 50 55 83 28 55 1[28 55 50 33 44 55 44 55 50 8[72 2[72 66 55 72 1[61 78 72 94 66 78 1[39 2[61 66 72 72 1[72 6[33 4[50 50 50 50 50 2[25 33 45[{TeXBase1Encoding ReEncodeFont}49 99.6264 /Times-Bold rf /Fv 133[55 1[55 2[55 55 1[55 1[55 55 55 55 55 55 1[55 1[55 55 55 55 2[55 50[55 55 45[{ TeXBase1Encoding ReEncodeFont}19 90.9091 /Courier-Oblique rf %DVIPSBitmapFont: Fw cmsy8 8 3 /Fw 3 50 df0 D<137813FE1201A3120313FCA3EA07F8A313F0 A2EA0FE0A313C0121F1380A3EA3F00A3123E127E127CA35AA35A0F227EA413>48 DI E %EndDVIPSBitmapFont %DVIPSBitmapFont: Fx cmr10 10.95 23 /Fx 23 121 df<16E0A24B7EA24B7EA24B7EA24B7EA2ED19FFA203307FA24B6C7EA24B6C 7EA24A486C7EA24A486C7EA202066D7EA24A6D7EA24A6D7EA24A6D7FA24A6E7EA24A6E7E A249486E7EA249C86C7EA201066F7EA2496F7E17014982834983187F4983183F4983181F 484883180F48CA7F1807000684180348841801001FBAFCA2481980A24819C0A2BB12E043 417CC04C>1 D22 D<1430147014E0EB01C0EB03801307EB0F0013 1E133E133C5B13F85B12015B12035B1207A2485AA348C7FCA35AA2123EA2127EA4127CA3 12FCB2127CA3127EA4123EA2123FA27EA36C7EA36C7EA212037F12017F12007F13787F13 3E131E7FEB07801303EB01C0EB00E014701430145A77C323>40 D<12C07E12707E7E121E 7E6C7E7F12036C7E7F12007F1378137C133C133EA27FA3EB0F80A314C0A21307A214E0A4 1303A314F0B214E0A31307A414C0A2130FA21480A3EB1F00A3133EA2133C137C137813F8 5B12015B485A12075B48C7FC121E121C5A5A5A5A145A7BC323>I<1506150FB3A9007FB9 12E0BA12F0A26C18E0C8000FC9FCB3A915063C3C7BB447>43 D48 D<14C013031307131F137FEA07FFB5FC139FEAF81F1200B3B3ACEB7FF0B612 F8A31D3D78BC2D>II<150EA2151E153EA2157E15FEA214011403157E1406140E14 0C141814381430146014E014C0EB0180130314001306130E130C5B133813305B13E05B48 5A120390C7FC1206120E120C5A123812305A12E0B8FCA3C8EAFE00AC4A7E49B6FCA3283E 7EBD2D>52 D<007FB912E0BA12F0A26C18E0CDFCAE007FB912E0BA12F0A26C18E03C167B A147>61 D66 DI< ED7FE0913807FFFE91391FC03F8091397E0007E04948EB03F8D907F0EB00FE4948147F49 486E7E49486E7E49C86C7E01FE6F7E00018349150300038348486F7EA248486F7EA2001F 188049167F003F18C0A3007F18E049163FA300FF18F0AC007F18E06D167FA4003F18C0A2 6C6CEEFF80A36C6C4B1300A26C6C4B5A00035F6D150700015F6C6C4B5A6D5E6D6C4A5A6D 6C4A5A6D6C4AC7FC6D6C14FED901FCEB03F8D9007FEB0FE091391FC03F80912607FFFEC8 FC9138007FE03C427BBF47>79 DI< B6913807FFFEA3000301E0020013E0C60180ED3F80F01F00017F161E180C6E151C013F16 18A26D6C5DA280010F5EA26E15E001075EA26D6C4A5AA28001014BC7FCA26E5C6D150681 027F5CA26F131C023F1418A26F1338021F143081020F5CA26F13E002075CA26E6C485AA2 15FE020149C8FCA26F5A6E1306A2ED7F8CA216CCED3FD8A216F86F5AA26F5AA36F5AA36F 5AA23F407EBD44>86 D89 D91 D93 D97 D101 D<3901FC03FC00FF90381FFF8091387C0FE09138E003 F03A03FDC001FC6CB4486C7E91C7127F49EC3F805BEE1FC017E0A2EE0FF0A3EE07F8AAEE 0FF0A4EE1FE0A2EE3FC06D1580EE7F007F6E13FE9039FDC001F89039FCE007F09138780F C0DA1FFFC7FCEC07F891C9FCAD487EB512F8A32D3A7EA733>112 D 117 D120 D E %EndDVIPSBitmapFont %DVIPSBitmapFont: Fy cmmi10 10.95 18 /Fy 18 110 df22 D<011FB612FE017F15FF48B8 FC5A4816FE3B0FC01801C000261F00385B003C1330123848EB70035A026090C7FC5AC7EA E007A2EB01C0A301035B1480A21307A2EB0F00A25BA2011E80133EA2137E017C8013FCA2 484880A2120315075BC648EB038030287DA634>25 DI 31 D<121EEA7F80A2EAFFC0A4EA7F80A2EA1E000A0A798919>58 D<121EEA7F8012FF13C0A213E0A3127FEA1E601200A413E013C0A312011380120313005A 120E5A1218123812300B1C798919>I61 D<49B912C0A3D9000190C71201F000 1F4B150F19071A80020316035DA314075D1A00A2140F4B1303A24D5B021F020613064B92 C7FC170EA2023F5C5D173CEE01FC4AB55AA3ED800102FF6D5A92C71270A34915605C190C 05E0131C01034B13184A163894C71230A2010717704A166019E061010F16014A4B5AA218 07011F4CC7FC4A5D183E013F167E604A1407017F157FB95AA260423E7DBD43>69 D<49B56C91B512F81BF0A290C76D913807FE004AEE01F0DBBFE05D735ADB9FF014011403 DB0FF85DA20307150302077F020694C7FC6F7E6191380E01FF020C16068171130E141C02 186D6C130CA2706C131C14380230011F141883040F143802708002601630707E197002E0 13034A6E136016017113E013014A6D6D5AA2EF7F81010316C191C8003F5B18E118E349ED 1FF3010694C8FCEF0FFB18FF010E81010C5EA21703131C01186F5AA201381500137801FC 1678EA03FEB512F8183818304D3E7DBD49>78 D97 D100 DI<163FEEFFC0923801E0E0923803C0709238 0781F0ED0F87ED1F8F160F153FA217E092387E038093C7FCA45DA514015DA30103B512FC A390260003F0C7FCA314075DA4140F5DA5141F5DA4143F92C8FCA45C147EA414FE5CA413 015CA35C1303A35C121E387F07C0A212FF5C49C9FC12FEEAF81EEA603CEA7878EA1FF0EA 07C02C537CBF2D>I104 D<143C14FEA21301A314FCEB00701400AD13 7E3801FF80380387C0EA0703000E13E0120C121CEA180712381230EA700F006013C0A2EA E01F14801200133F14005B137EA213FE5BA212015B0003130613F0A20007130EEBE00CA2 141CEBC01814381470146014E03803E3C03801FF00EA007C173E7EBC1F>II< EB01FC13FF5CA21303A25CA21307A25CA2130FA25CA2131FA25CA2133FA291C9FC16FC49 EB03FE92380F0780017EEB3C0FED703F01FE13E0913801C07F9038FC0380EC0700000101 0E14004A131C494890C7FC5C00035BEBF9C0495A01FFC9FC5A14F0EBE3FE9038E07F8000 0FEB1FC06E7EEBC00781001F130316061380A2003F150E0207130C010013E0161C481518 A2007E010313385E00FE01011360EDF1E0489038007F800038023EC7FC29407CBE2F>I< D801F0D90FF0EB03F8D807FCD93FFEEB1FFFD8061FD9F01F90387C0F80000E903C03C00F 80E007C0271C0F87009039C1C003E00018018E903807C780003801DCDAE6007F003001F8 14EE4A14FC26701FE05C00605E5C5F00E049010F1407013F4B5C000090C7FCA2041F140F 4960017E5D191F043F5D13FE4992C7123F97C7FC5E00014E13C049027E147EA204FEECFE 01000306FC1380495C1A03030103F81300000761494A150E1A0C0303161C000FF07C7849 4AEC3FE0D80380D900E0EC0F804A297EA750>109 D E %EndDVIPSBitmapFont /Fz 171[44 7[44 53 1[24 2[40 44 53 2[53 65[{ TeXBase1Encoding ReEncodeFont}8 72.7272 /Times-Roman rf /FA 171[49 7[49 57 1[28 2[44 49 53 2[53 65[{ TeXBase1Encoding ReEncodeFont}8 72.7272 /Times-Bold rf /FB 135[60 2[66 40 47 53 1[66 60 66 100 33 2[33 66 60 40 53 66 53 66 60 14[86 1[73 6[47 3[80 1[86 80 86 6[40 5[60 60 60 60 49[{TeXBase1Encoding ReEncodeFont}31 119.552 /Times-Bold rf /FC 150[25 47[45 45 45 45 45 45 45 45 45 45 48[{.167 SlantFont TeXBase1Encoding ReEncodeFont}11 90.9091 /Times-Roman rf /FD 87[30 45[40 45 45 66 45 51 30 35 40 1[51 45 51 76 25 51 1[25 51 45 30 40 51 40 51 45 8[66 2[66 61 51 66 1[56 71 66 86 61 71 1[35 71 71 56 61 66 66 61 66 6[30 45 2[45 45 45 45 45 45 45 1[23 30 42[51 2[{TeXBase1Encoding ReEncodeFont}57 90.9091 /Times-Bold rf /FE 87[30 15[30 1[45 1[40 40 24[40 45 45 66 45 45 25 35 30 45 45 45 45 71 25 45 25 25 45 45 30 40 45 40 45 40 3[30 1[30 56 66 66 86 66 66 56 51 61 1[51 66 66 81 56 66 35 30 66 66 51 56 66 61 61 66 84 5[25 45 45 45 45 45 45 45 45 45 45 25 23 30 23 2[30 30 30 71 76 1[45 25[30 5[51 51 2[{TeXBase1Encoding ReEncodeFont}83 90.9091 /Times-Roman rf /FF 136[86 60 60 33 47 40 2[60 1[93 33 2[33 60 2[53 60 2[53 17[86 86 106 2[47 6[80 67[{ TeXBase1Encoding ReEncodeFont}19 119.552 /Times-Roman rf /FG 180[119 1[55 2[92 1[119 68[{TeXBase1Encoding ReEncodeFont}4 165.247 /Times-Roman rf end %%EndProlog %%BeginSetup %%Feature: *Resolution 600dpi TeXDict begin %%EndSetup %%Page: 0 1 0 0 bop 150 1194 3450 42 v 2957 1425 a FG(D)10 b(I)g(FF)g(K)g(K)2713 3664 y FF(Matthe)m(w)31 b(Ne)m(wville)1966 3777 y FE(Consortium)25 b(for)f(Adv)n(anced)h(Radiation)g(Sources)2316 3890 y(Uni)n(v)o(ersity) g(of)e(Chicago,)i(Chicago,)f(IL)2637 4192 y FF(Julie)30 b(Olmsted)g(Cross)2604 4305 y FE(Na)n(v)n(al)24 b(Research)h (Laboratory)2996 4418 y(W)-7 b(ashington,)26 b(DC)p 150 4649 V eop %%Page: 1 2 1 1 bop 150 -71 a FD(CONTENTS)3221 b FC(i)p 150 -33 3749 5 v 3142 266 a FB(Contents)150 473 y FD(1)91 b(Intr)n(oduction)2777 b(1)150 677 y(2)91 b(Running)24 b FA(D)t(I)t(FF)t(K)t(K)2606 b FD(2)286 790 y FE(2.1)96 b(Input)25 b(XAFS)c(Data)59 b(.)46 b(.)f(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.) h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)155 b(2)286 903 y(2.2)96 b(Input)25 b(P)o(arameters)84 b(.)46 b(.)f(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)h(.)f (.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)155 b(3)286 1016 y(2.3)96 b(Running)27 b Fz(D)t(I)t(FF)t(K)t(K)g FE(interacti)n(v)o(ely)87 b(.)45 b(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)h (.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)155 b(4)286 1128 y(2.4)96 b(Output)25 b(Files)44 b(.)h(.)g(.)g(.)h(.)f(.)g (.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.) g(.)g(.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)155 b(5)150 1332 y FD(3)91 b(Algorithms)24 b(and)f(Pr)n(ocedur)n(es)h(of)i FA(D)t(I)t(FF)t(K)t(K)1779 b FD(6)286 1445 y FE(3.1)96 b(Ov)o(ervie)n(w)24 b(of)f(Anomalous)i(Scattering)30 b(.)45 b(.)g(.)h(.)f(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.) g(.)g(.)g(.)h(.)f(.)g(.)g(.)155 b(6)286 1558 y(3.2)96 b(Using)24 b Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))24 b FE(to)f(impro)o(v)o (e)h Fy(f)1427 1525 y Fw(0)1450 1558 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(and)g Fy(f)1825 1525 y Fw(00)1866 1558 y Fx(\()p Fy(E)5 b Fx(\))74 b FE(.)45 b(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)g (.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)155 b(7)286 1671 y(3.3)96 b(Cromer)n(-Liberman)26 b(v)n(alues)f(for)e(anomalous)j (x-ray)e(scattering)87 b(.)45 b(.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g (.)155 b(7)286 1784 y(3.4)96 b(Matching)26 b Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))23 b FE(to)h(Cromer)n(-Liberman)h Fy(f)1918 1751 y Fw(00)1960 1784 y Fx(\()p Fy(E)5 b Fx(\))48 b FE(.)d(.)g(.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.) g(.)g(.)155 b(8)286 1897 y(3.5)96 b(Numerical)25 b(Kramers-Kr)8 b(\250)-38 b(onig)25 b(T)m(ransforms)75 b(.)45 b(.)g(.)g(.)g(.)h(.)f(.) g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)155 b(8)150 2101 y FD(4)91 b(Examples)2845 b(10)286 2214 y FE(4.1)96 b(Example)24 b(1:)29 b(Experimental)d(Data)d(for)h (Metallic)h(Cu)78 b(.)46 b(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)g (.)h(.)f(.)g(.)g(.)109 b(10)286 2326 y(4.2)96 b(Example)24 b(2:)29 b(using)c Fv(xmu.dat)20 b FE(from)25 b Fz(F)t(E)t(FF)76 b FE(.)45 b(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)g(.)h(.)f(.)g(.)g(.)g(.)g (.)h(.)f(.)g(.)g(.)109 b(10)150 2530 y FD(A)72 b FA(D)t(E)t(L)m(T)m(A)t (F)r FD(:)31 b(bar)n(e)23 b(atom)h(r)n(esonant)g(scattering)i(factors) 1407 b(14)150 2734 y(B)75 b(Installation)2781 b(15)p eop %%Page: 1 3 1 2 bop 150 -71 a FD(1)91 b(INTR)m(ODUCTION)2840 b FC(1)p 150 -33 3749 5 v 150 266 a FB(1)119 b(Intr)n(oduction)152 473 y Fz(D)t(I)t(FF)t(K)t(K)r FE([1)s(])31 b(uses)i(x-ray)g(absorption) i(\002ne-structure)g(\(XAFS\))30 b(spectra)k(to)e(calculate)i (anomalous)g(x-ray)150 586 y(scattering)j(f)o(actors.)64 b(The)34 b(input)h(XAFS)d(spectra)k(can)f(be)g(either)h(e)o (xperimental)h(data)e(or)f(a)g(theoretical)150 699 y(calculation)d (\(there)e(is)e(special)j(support)f(for)h Fz(F)t(E)t(FF)r FE([2)t(])d(calculations\),)32 b(and)d(is)e(used)i(to)e(impro)o(v)o(e)i (the)f(bare)150 812 y(atom)c(anomalous)i(scattering)g(f)o(actors)g(of)e (Cromer)f(and)i(Liberman[3)r(])e(near)i(the)f(absorption)j(edge.)j (Since)150 925 y(XAFS)f(is)i(sensiti)n(v)o(e)h(to)g(the)f(atomic)h(en)l (vironment)i(of)d(the)g(resonant)j(atom)d(\(through)i(the)f(v)n (ariations)h(of)150 1038 y(the)23 b(absorption)i(coef)n(\002cient\),)f (the)f(scattering)i(f)o(actors)f(from)g Fz(D)t(I)t(FF)t(K)t(K)h FE(will)d(also)h(be)f(sensiti)n(v)o(e)i(to)f(the)f(local)150 1150 y(atomic)27 b(structure)h(of)f(the)f(resonant)j(atom.)36 b(Though)28 b(scattering)h(f)o(actors)e(that)g(are)g(sensiti)n(v)o(e)h (to)e(chemical)150 1263 y(state)j(and)f(atomic)g(en)l(vironment)j(may)d (be)g(useful)h(for)f(man)o(y)g(x-ray)g(scattering)j(e)o(xperiments)f (near)e(reso-)150 1376 y(nances,)d(the)e(primary)h(application)j(will) 22 b(probably)k(be)d(for)h(the)f(interpretation)k(of)c(dif)n(fraction)j (anomalous)150 1489 y(\002ne-structure)g(\(D)l(AFS\)[4,)d(5])g(data.) 293 1602 y Fz(D)t(I)t(FF)t(K)t(K)28 b FE(is)d(intended)j(to)d(be)g(an)g (easy-to-use)k(and)c(rob)n(ust)i(program.)35 b(At)24 b(this)i(writing,)g(both)g(the)g(pro-)150 1715 y(gram)21 b(and)g(this)h(document)h(are)e(w)o(orks)g(in)g(progress.)30 b(Research)23 b(is)e(still)g(being)h(done)g(on)f(these)h(algorithms,) 150 1828 y(and)k(on)f(the)h(analysis)i(of)d(D)l(AFS)e(data)j(in)g (general.)36 b(If)25 b(you)h(ha)n(v)o(e)g(questions,)i(comments,)e(or)g (suggestions)150 1941 y(about)f(the)f(procedures)i(or)e(algorithms,)h (we')-5 b(d)24 b(lo)o(v)o(e)f(to)h(hear)g(them.)29 b(Feel)23 b(free)h(to)f(contact)j(us)d(by)h(email:)874 2139 y(Matthe)n(w)f(Ne)n (wville)283 b(ne)n(wville@cars.uchicago.ed)q(u)874 2252 y(Julie)24 b(Olmsted)g(Cross)225 b(jox@pnc.aps.anl.go)o(v)150 2578 y(Or)21 b(visit)i(the)h Fz(D)t(I)t(FF)t(K)t(K)i FE(web)21 b(page:)30 b(http://cars.uchicago.ed)q(u/)q(\230ne)o(wville)q (/da)q(fs/)q(dif)o(fkk)q(/)d(for)22 b(the)h(latest)g(v)o(er)n(-)150 2691 y(sion)h(of)g(the)g(source)h(code)f(and)g(this)g(document.)150 4122 y Fu(Ackno)o(wledgements)152 4296 y Fz(D)t(I)t(FF)t(K)t(K)j FE(w)o(as)c(written)h(with)f(helpful)j(suggestions)h(and)d (encouragement)j(from)c(Charles)h(Bouldin,)h(Bruce)150 4409 y(Ra)n(v)o(el,)f(and)h(John)g(Rehr)-5 b(.)31 b(The)23 b(idea)i(of)f(using)i(a)e(dif)n(ference)i(Kramers-Kr)8 b(\250)-38 b(onig)26 b(transform)g(for)f(impro)o(ving)150 4522 y(anomalous)i(x-ray)f(scattering)i(f)o(actors)e(is)f(discussed)i (by)f(D.)d(H.)h(T)-6 b(empleton[6)r(],)24 b(and)i(dates)g(back)f (consid-)150 4635 y(erably)k(longer)g(for)f(optical)h(scattering.)44 b(W)-7 b(e)27 b(used)h(\(and)h(slightly)g(modi\002ed\))g(the)f(code)g (of)g(Brennan)h(and)150 4748 y(Co)n(w)o(an[7)q(])23 b(for)h(the)g(bare) g(atom)g(anomalous)i(scattering)g(f)o(actors,)f(which)f(w)o(as)g(in)f (turn)h(based)h(on)f(the)g(w)o(ork)150 4860 y(of)f(Cromer)h(and)g (Liberman[3)r(].)p eop %%Page: 2 4 2 3 bop 150 -71 a FD(2)91 b(R)m(UNNING)24 b(D)t(I)t(F)t(F)t(K)t(K)2735 b FC(2)p 150 -33 3749 5 v 150 266 a FB(2)119 b(Running)35 b Ft(D)6 b(I)g(FF)g(K)g(K)152 473 y Fz(D)t(I)t(FF)t(K)t(K)24 b FE(is)e(a)e(f)o(airly)j(simple)f(program)g(to)f(run,)h(without)h(man) o(y)e(optional)i(parameters.)30 b(The)21 b(main)g(require-)150 586 y(ment)29 b(is)f(a)g(\002le)g(containing)j(an)e(x-ray)g(absorption) j(spectra)e Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))p FE(.)44 b(This)28 b(can)h(either)g(be)g(e)o(xperimentally)150 699 y(measured)34 b(data)e(or)g(a)g(calculated)i(spectra)g(from)g Fz(F)t(E)t(FF)r FE(,)i(as)c(will)g(be)g(discussed)j(in)c(more)h(detail) i(in)e(sec-)150 812 y(tion)g(2.1.)54 b(If)31 b(you)h(don')n(t)i(ha)n(v) o(e)e(a)f Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))32 b FE(spectra,)j(or)d(w)o (ant)g(just)g(the)g(bare-atom)i(anomalous)g(scattering)150 925 y(f)o(actors,)25 b(see)f(Appendix)h(A.)30 b Fz(D)t(I)t(FF)t(K)t(K)c FE(e)o(x)o(ecutes)f(the)f(follo)n(wing)h(steps:)264 1105 y(1.)45 b(Read)24 b(the)g Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))23 b FE(data,)h(and)g(interpolate)j(onto)d(a)f(e)n(v)o(enly)i (spaced)g(ener)n(gy)g(grid.)264 1254 y(2.)45 b(Look)24 b(up)g(bare-atom)h(scattering)h(f)o(actors)f Fy(f)1797 1221 y Fw(0)1787 1280 y Fs(CL)1886 1254 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(and)g Fy(f)2261 1221 y Fw(00)2251 1280 y Fs(CL)2349 1254 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(from)g(Cromer)n (-Liberman.)264 1403 y(3.)45 b(Broaden)25 b Fy(f)763 1370 y Fw(0)753 1428 y Fs(CL)852 1403 y Fx(\()p Fy(E)5 b Fx(\))23 b FE(and)h Fy(f)1226 1370 y Fw(00)1216 1428 y Fs(CL)1315 1403 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(by)g(con)l(v)n (olving)j(with)c(a)g(Lorentzian.)264 1552 y(4.)45 b(Match)31 b(the)f(scale)g(and)h(step-height)i(of)c(the)i(XAFS)c Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))30 b FE(to)f(the)i(smooth)f Fy(f)2907 1519 y Fw(00)2897 1577 y Fs(CL)2996 1552 y Fx(\()p Fy(E)5 b Fx(\))p FE(,)31 b(creating)h(an)377 1665 y Fy(f)432 1632 y Fw(00)422 1690 y Fs(XAFS)617 1665 y Fx(\()p Fy(E)5 b Fx(\))p FE(,)23 b(which)h(includes)i(the)e(XAFS-lik) o(e)f(oscillations.)264 1813 y(5.)45 b(Do)21 b(a)h(Kramers-Kr)8 b(\250)-38 b(onig)24 b(transform)f(on)f(the)g Fr(dif)n(fer)m(ence)j FE(of)c Fy(f)2342 1780 y Fw(00)2332 1839 y Fs(XAFS)2527 1813 y Fx(\()p Fy(E)5 b Fx(\))22 b FE(and)g Fy(f)2898 1780 y Fw(00)2888 1839 y Fs(CL)2987 1813 y Fx(\()p Fy(E)5 b Fx(\))p FE(,)22 b(and)g(use)h(this)377 1926 y(and)h Fy(f)586 1893 y Fw(0)576 1952 y Fs(CL)675 1926 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(to)f(reconstruct)k Fy(f)1416 1893 y Fw(0)1438 1926 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(with)g (\002ne-structure.)264 2075 y(6.)45 b(Write)35 b(out)g(the)f(results:) 53 b(A)33 b(single)j(\002le)d(with)i(columns)g(of)g Fy(E)5 b FE(,)36 b Fy(f)2557 2042 y Fw(0)2580 2075 y FE(,)g Fy(f)2694 2042 y Fw(00)2735 2075 y FE(,)g Fy(f)2849 2042 y Fw(0)2839 2101 y Fs(CL)2938 2075 y FE(,)g(and)f Fy(f)3217 2042 y Fw(00)3207 2101 y Fs(CL)3339 2075 y FE(will)f(be)377 2188 y(written.)c(A)22 b(log)i(\002le,)f(describing)j(the)e(run,)g (will)f(also)h(be)f(written.)150 2369 y(More)i(detailed)j(information)f (on)f(the)f(algorithms)j(can)d(be)g(found)i(in)e(chapter)i(3)e(and)h (the)f(literature)j(refer)n(-)150 2481 y(ences.)i(This)23 b(chapter)i(discusses)i(the)c(mechanics)j(of)d(running)j(the)e (program.)293 2594 y Fz(D)t(I)t(FF)t(K)t(K)40 b FE(looks)e(for)f(an)g (input)h(\002le)e(named)i Fv(diffkk.inp)31 b FE(to)37 b(read)h(its)e(input)i(parameters)h(from)150 2707 y(when)22 b(it)g(starts.)29 b(If)22 b(this)h(\002le)e(is)h(not)h(found,)i Fz(D)t(I)t(FF)t(K)t(K)h FE(will)21 b(run)i(interacti)n(v)o(ely)-6 b(,)25 b(prompting)f(you)f(for)f(the)h(data)150 2820 y(\002le)29 b(and)i(other)g(inputs)h(for)e(the)g(program.)50 b(The)30 b(meaning)h(and)g(format)f(of)h(these)g(input)g(parameters)h (are)150 2933 y(discussed)26 b(in)e(section)h(2.2,)e(and)h(the)g (interacti)n(v)o(e)i(session)f(will)e(be)h(is)f(described)j(in)e (section)h(2.3.)291 3046 y(After)f(the)g(calculation)j(is)d(complete,)j Fz(D)t(I)t(FF)t(K)t(K)g FE(will)d(write)g(output)i(data)e(to)g(a)f (\002le)h(named)g(by)g(the)h(user)150 3159 y(\226)k(this)g(\002le)g(is) f(discussed)k(in)d(section)i(2.4.)45 b(A)27 b(log)j(\002le,)f Fv(diffkk.log)p FE(,)c(containing)32 b(a)d(synopsis)i(of)e(the)150 3272 y(input)22 b(parameters)h(and)f(information)i(about)e(ho)n(w)f (the)g(calculation)j(w)o(as)d(performed)i(will)e(also)h(be)f(written.) 150 3385 y(A)g(notable)j(feature)g(of)e(this)h(log)f(\002le)g(is)g (that)g(it)g(can)h(be)f(used)h(as)f(an)g Fr(input)j FE(\002le)d(\226)g (that)g(is,)g(it)g(can)h(be)f(renamed)150 3498 y(to)h Fv(diffkk.inp)c FE(and)24 b(used)g(to)f(produce)j(identical)g(output)f (data)f(as)g(the)f(original)j(run.)150 3745 y Fu(2.1)99 b(Input)26 b(XAFS)f(Data)150 3920 y FE(The)g(input)h Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))25 b FE(data)h(to)h Fz(D)t(I)t(FF)t(K)t(K)h FE(can)e(be)f(either)h(e)o(xperimentally)j (measured)d(or)f(a)g(calculated)j(spectra.)150 4033 y(Special)33 b(support)h(is)f(pro)o(vided)h(for)e(direct)i(use)f(of)f(the)h Fv(xmu.dat)28 b FE(\002les)k(written)h(by)i Fz(F)t(E)t(FF)h FE(\(v)o(ersion)e(7\))150 4146 y(when)26 b(its)f Fq(XANES)e FE(card)j(is)f(used.)36 b(No)24 b(pre-edge)k(subtraction,)h (normalization,)g(or)c(background)k(subtrac-)150 4258 y(tion)24 b(is)g(necessary)i(for)d(the)h(data.)291 4371 y(The)f(data)g(\002le)g(\(e)o(xperimental)j(or)d(theoretical\))j (\)needs)e(to)f(be)g(a)g(plain)h(ASCII)d(column)j(\002le,)f(with)g (tabs)150 4484 y(or)h(spaces)h(delimiting)g(the)f(columns.)31 b(Lines)23 b(be)o(ginning)j(with)e(a)f('#')h(will)f(be)h(ignored)h(and) g(can)f(be)f(used)i(a)150 4597 y(comment)d(lines.)29 b(One)22 b(of)f(the)h(columns)h(in)f(the)g(\002le)f(must)h(be)g (absolute)h(ener)n(gy)h(\(not)f(relati)n(v)o(e)f(to)g(the)g(edge\))150 4710 y(in)g(eV)-12 b(,)22 b(and)h(another)h(column)f(must)f(be)h Fy(\026)p FE(.)k(Y)-10 b(ou)22 b(can)h(specify)h(which)f(columns)g(to)g (use)f(for)h(the)f(ener)n(gy)j(and)150 4823 y(absorption)i(spectra)e (with)e(the)h Fq(encol)c FE(and)k Fq(mucol)d FE(k)o(e)o(yw)o(ords.)291 4936 y(As)30 b(mentioned)j(abo)o(v)o(e,)h(there)e(is)f(special)h (support)h(for)e Fv(xmu.dat)c FE(\002les)k(generated)j(by)f Fz(F)t(E)t(FF)i FE(with)150 5049 y(the)27 b Fq(XANES)d FE(card.)40 b Fv(xmu.dat)23 b FE(is)k(an)g(ASCII)e(\002le)h(with)h (data)h(arranged)h(in)e(columns.)40 b(The)27 b(\002rst)f(column)150 5162 y(contains)31 b(the)f(absolute)h(ener)n(gy)-6 b(,)32 b(the)d(second)i(column)f(contains)h(the)e(ener)n(gy)i(relati)n(v)o(e)g (to)d(the)i(edge,)h(and)150 5275 y(the)j(third)g(column)g(contains)i (the)d(photo-electron)38 b(w)o(a)n(v)o(e)n(v)o(ector)d Fy(k)s FE(.)57 b(The)33 b(fourth)i(column)f(contains)i(the)p eop %%Page: 3 5 3 4 bop 150 -71 a FD(2.2)92 b(Input)22 b(P)o(arameters)2812 b FC(3)p 150 -33 3749 5 v 150 266 a FE(full)28 b Fy(\026)p FE(,)e(the)i(\002fth)f(column)h(contains)h(the)f(atomic)f(background)k Fy(\026)2273 280 y Fs(0)2312 266 y FE(,)c(and)h(the)f(sixth)h(column)h (contains)g(the)150 379 y(\002ne-structure)h Fy(\037)p FE(.)38 b(T)-7 b(o)26 b(use)i(a)e Fv(xmu.dat)d FE(\002le)k(in)i Fz(D)t(I)t(FF)t(K)t(K)r FE(,)f(you')o(ll)h(w)o(ant)e(to)g(mak)o(e)g (sure)h(these)g(k)o(e)o(yw)o(ords)150 492 y(are)f(set:)36 b Fq(isfeff)52 b(=)i(true)p FE(,)24 b Fq(encol=)52 b(1)p FE(,)26 b(and)h Fq(mucol=)52 b(4)p FE(.)37 b(Actually)-6 b(,)29 b(using)f Fq(mucol=)51 b(5)26 b FE(might)150 605 y(be)e(interesting)i(too,)e(b)n(ut)g(I')o(ll)g(lea)n(v)o(e)g(that)g(up) g(to)f(you.)150 854 y Fu(2.2)99 b(Input)26 b(P)o(arameters)152 1028 y Fz(D)t(I)t(FF)t(K)t(K)c FE(has)e(a)f(fe)n(w)f(program)i (parameters)i(that)d(can)h(be)f(speci\002ed)i(during)f(its)g(run.)27 b(Normally)-6 b(,)21 b(these)f(input)150 1141 y(parameters)25 b(will)d(be)h(read)h(from)f Fv(diffkk.inp)p FE(.)g(If)g(running)i (interacti)n(v)o(ely)-6 b(,)25 b(you)f(will)f(be)f(prompted)j(for)150 1254 y(these)g(input)f(parameters.)150 1519 y(T)-7 b(able)28 b(1:)37 b FD(K)n(eyw)o(ords)27 b(f)n(or)j FA(D)t(I)t(FF)t(K)t(K)r FE(.)42 b(The)27 b(k)o(e)o(yw)o(ord,)j(ar)n(gument)f(format,)g (meaning,)h(and)e(def)o(ault)h(v)n(alue)150 1632 y(are)g(listed)g(for)g (each)g(input)g(parameter)-5 b(.)45 b(The)28 b(ar)n(gument)i(format)f (is)g(one)f(of)h(these:)40 b Fq(char)25 b FE(for)k(character)150 1745 y(string,)g Fq(float)23 b FE(for)k(\003oating)h(point)g(number)l (,)g Fq(int)d FE(for)i(inte)o(ger)l(,)i(and)e Fq(log)e FE(for)i(a)f(logical)i(string)h(\(which)150 1858 y(can)24 b(tak)o(e)g(v)n(alues)h Fq(true)c FE(or)i Fq(false)p FE(\).)j(Units)e(of)f(ener)n(gy)j(are)e(in)f(eV)-12 b(.)274 2040 y Fq(keyword)97 b FE(format)131 b(meaning)1785 b(def)o(ault)p 225 2102 3301 4 v 274 2206 a Fq(title)207 b(char)152 b FE(title/comment)26 b(line)1508 b(none)274 2319 y Fq(out)317 b(char)152 b FE(output)25 b(data)f(\002le)f(name)1256 b Fv(dk.out)274 2432 y Fq(xmu)317 b(char)152 b FE(input)25 b(data)f(\002le)f(name)1452 b(none)274 2544 y Fq(isfeff)152 b(log)207 b FE(\003ag)23 b(for)h(using)h Fv(xmu.dat)19 b FE(\002le)k(from)j Fz(F)t(E)t(FF)752 b FE(f)o(alse)274 2657 y Fq(encol)207 b(int)g FE(column)25 b(for)e(ener)n(gy)j(array)1424 b(1)274 2770 y Fq(mucol)207 b(int)g FE(column)25 b(for)e Fy(\026)g FE(array)1615 b(2)274 2883 y Fq(iz)372 b(int)207 b FE(atomic)24 b(number)h(for)f(central)h(atom)1020 b(none)274 2996 y Fq(e0)372 b(float)97 b FE(edge)25 b(ener)n(gy)-6 b(,)25 b Fy(E)1675 3010 y Fs(0)3299 2996 y FE(none)274 3109 y Fq(egrid)207 b(float)97 b FE(ener)n(gy)26 b(grid)e(for)g(output) 1437 b(1.0)274 3222 y Fq(ewidth)152 b(float)97 b FE(ener)n(gy)26 b(width)d(for)h(broadening)1202 b(1.5)274 3335 y Fq(epad)262 b(float)97 b FE(ener)n(gy)26 b(grid)e(for)g(padding)j Fz(F)t(E)t(FF)r FE(')-5 b(s)27 b Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))23 b FE(belo)n(w)h Fy(E)2803 3349 y Fs(0)3362 3335 y FE(5.0)274 3448 y Fq(npad)262 b(int)207 b FE(number)25 b(of)e(points)i(for)f(padding)j Fz(F)t(E)t(FF)r FE(')-5 b(s)27 b Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))23 b FE(belo)n(w)h Fy(E)3009 3462 y Fs(0)3385 3448 y FE(20)274 3561 y Fq(elow)262 b(float)97 b FE(ho)n(w)23 b(f)o(ar)h(belo)n(w)g(data)g(range)g(to)g(e)o (xtend)h(calculation)494 b(200.)274 3674 y Fq(ehigh)207 b(float)97 b FE(ho)n(w)23 b(f)o(ar)h(abo)o(v)o(e)g(data)g(range)h(to)e (e)o(xtend)i(calculation)500 b(500.)274 3786 y Fq(end)317 b(-)g FE(end)24 b(reading)i(of)d Fv(diffkk.inp)1073 b FE(none)p 225 3849 V 291 4141 a(All)29 b(input)h(parameters)i(in)d Fv(diffkk.inp)24 b FE(e)o(xist)30 b(as)f(k)o(e)o(yw)o(ord/v)n(alue)k (pairs.)47 b(That)29 b(is,)i(you)e(specify)150 4254 y(the)j(parameter)g (with)g(syntax)g(lik)o(e)g Fq(xmu)54 b(=)g(mydata.xmu)p FE(,)27 b(with)k(a)g(k)o(e)o(yw)o(ord)i(on)e(the)g(left,)j(an)d(equal) 150 4367 y(sign,)j(and)e(then)g(the)g(appropriate)j(v)n(alue)d(for)g (the)g(corresponding)k(program)c(parameter)-5 b(.)55 b(The)31 b(program)150 4480 y(parameters)e(can)e(can)h(be)f(put)g(in)g (an)o(y)g(order)h(in)f Fv(diffkk.inp)p FE(.)34 b(Since)27 b(man)o(y)g(parameters)i(read)f(only)g(a)150 4593 y(single)d(w)o(ord)f (for)f(the)h(v)n(alue,)g(se)n(v)o(eral)h(can)f(be)f(put)h(on)g(a)f (single)i(line,)f(with)f(syntax)i(lik)o(e)291 4706 y Fq(encol)52 b(=)j(1,)e(mucol)f(=)i(2)p FE(.)150 4818 y(The)27 b(comma)g(is)g(optional)j(\(and)e(ignored\),)i(b)n(ut)e(tends) g(to)f(impro)o(v)o(e)h(readability)-6 b(.)43 b(Comments)28 b(can)f(be)h(put)150 4931 y(an)o(ywhere)g(in)f Fv(diffkk.inp)22 b FE(after)28 b(a)f('\045')f(or)h('#')h(character)l(,)i(or)d(after)h(a) f(line)g(in)g(the)h(\002le)e(that)i(contains)150 5044 y(only)i(the)g(w)o(ord)g Fq(end)p FE(.)45 b(All)29 b(k)o(e)o(yw)o(ords) i(for)f(the)i Fz(D)t(I)t(FF)t(K)t(K)h FE(parameters)e(are)f(listed)h (in)f(T)-7 b(able)29 b(1.)47 b(Example)150 5157 y(input)25 b(\002les)e(are)h(sho)n(wn)f(in)h(chapter)h(4.)p eop %%Page: 4 6 4 5 bop 150 -71 a FD(2.3)92 b(Running)23 b FA(D)t(I)t(FF)t(K)t(K)k FD(interacti)o(v)o(ely)2330 b FC(4)p 150 -33 3749 5 v 150 266 a Fu(2.3)99 b(Running)28 b Fp(D)t(I)t(FF)t(K)t(K)j Fu(interacti)o(v)o(ely)150 427 y FE(If)f Fz(D)t(I)t(FF)t(K)t(K)h FE(cannot)f(\002nd)e(the)h(\002le)e Fv(diffkk.inp)p FE(,)d(it)k(runs)h (interacti)n(v)o(ely)-6 b(,)33 b(prompting)d(you)f(for)f(each)h(of)150 527 y(the)h(input)h(parameters)h(listed)f(in)f(T)-7 b(able)30 b(1.)47 b(Reasonable)32 b(guesses)g(will)e(be)f(made)h(for)g (parameters)i(such)150 626 y(as)h Fq(isfeff)p FE(,)f Fq(encol)p FE(,)h Fq(mucol)p FE(,)f Fq(e0)p FE(,)i(and)g Fq(iz)p FE(,)f(b)n(ut)h(you)g(may)f(o)o(v)o(erride)i(these)f(guessed)i (v)n(alues.)59 b(An)150 726 y(interacti)n(v)o(e)26 b(session)f(w)o (ould)f(look)h(lik)o(e)f(this:)p 466 808 3102 4 v 466 4943 4 4136 v 616 910 a Fo(--)99 b(diffkk)49 b(version)f(1.10)99 b(--)616 1010 y(diffkk.inp)48 b(not)h(found)g(--)99 b(running)49 b(interactively)616 1109 y(Reading)f(xmu)i(data:)616 1209 y(**)f(name)g(for)h(input)e(xmu)i(data)f([xmu.dat])f(>)616 1308 y(**)h(is)h(this)f(a)g(feff)g(xmu.dat)g(file?)g([y])g(>)616 1508 y(What)g(columns)f(are)i(energy)e(and)i(mu\(E\))f(in?:)616 1607 y(\(Feff)g(puts)g(mu)g(in)h(column)e(4,)i(mu0)f(in)h(column)e(5\)) 616 1707 y(**)h(column)g(for)g(energy)g([)149 b(1])50 b(>)616 1807 y(**)f(column)g(for)g(mu)h([)149 b(4])49 b(>)616 2006 y(Feff's)g(xmu.dat)f(may)h(need)g("padding")g(at)g(low)g (energies:)616 2105 y(**)g(number)g(of)g(points)g(to)h(pad)f(with)g([) 99 b(20])50 b(>)616 2205 y(**)f(Padding)g(energy)f(grid)i([)149 b(5.0000])48 b(>)616 2305 y(**)h(atomic)g(number)g([)99 b(29])49 b(>)616 2404 y(**)g(E0)h(\(in)f(eV\))g([)149 b(8984.7700])48 b(>)616 2604 y(mu\(E\))h(needs)g(to)g(be)g(put)h(an)f (even)g(energy)g(grid:)616 2703 y(**)g(energy)g(grid)g(spacing)g(\(in)g (eV\))g([)149 b(1.0000])49 b(>)616 2902 y(For)g(smoother)f(results,)h (mu\(E\))g(can)g(be)815 3002 y(extrapolated)f(past)h(it's)g(input)g (data)g(range:)666 3102 y(\(elow)98 b(=)50 b(how)f(far)g(below)g(data)g (range)g(to)h(extrapolate\))666 3201 y(\(ehigh)e(=)i(how)f(far)g(above) g(data)g(range)g(to)h(extrapolate\))616 3301 y(**)f(elow)99 b(\(in)49 b(eV\))h([)149 b(200.0000])48 b(>)616 3401 y(**)h(ehigh)g(\(in)g(eV\))h([)149 b(500.0000])48 b(>)616 3600 y(Setting)g(up)i(broadening)e(of)h(Cromer-Liberman)e(data:)616 3699 y(**)i(ewidth)g(\(in)g(eV\))g([)150 b(1.500])48 b(>)616 3899 y(Looking)g(up)100 b(Cromer-Liberman)47 b(f')i(and)g(f'')616 3998 y(Broadening)98 b(Cromer-Liberman)47 b(f')i(and)g(f'')616 4098 y(Matching)f(xmu)h(data)g(to)h (Cromer-Liberman)d(f'')616 4198 y(Doing)i(difference)f(Kramers-Kronig)f (transform)616 4397 y(Ready)i(to)g(write)g(out)g(data)g(file:)616 4496 y(**)g(output)g(file)g(name)g([dk.out])f(>)616 4696 y(Writing)g(output)h(data)g(to)99 b(dk.out)616 4795 y(Writing)48 b(summary)h(to)g(diffkk.log)616 4895 y(--)g(diffkk)g(done)g(--)p 3563 4943 V 466 4946 3102 4 v 3565 4980 35 4143 v 499 4980 3102 35 v 150 5162 a FE(The)31 b(lines)i(be)o(ginning)h(with)e Fq(**)e FE(e)o(xpect)j(you)f(to)g(either)h(type)f(in)g(a)f(v)n(alue)i (or)f(accept)h(the)f(def)o(ault)h(v)n(alue)150 5275 y(\(sho)n(wn)22 b(between)h(the)f(brack)o(ets\))i(by)e(hitting)i(return.)29 b(The)21 b(remaining)j(information)g(is)e(either)h(to)e(help)i(you)p eop %%Page: 5 7 5 6 bop 150 -71 a FD(2.4)92 b(Output)21 b(Files)3012 b FC(5)p 150 -33 3749 5 v 150 266 a FE(decide)25 b(what)e(v)n(alues)i (to)f(use,)f(or)h(progress)h(reports)h(on)d(what)j Fz(D)t(I)t(FF)t(K)t (K)g FE(is)e(doing.)150 515 y Fu(2.4)99 b(Output)26 b(Files)152 689 y Fz(D)t(I)t(FF)t(K)t(K)h FE(writes)c(out)h Fv(diffkk.log)p FE(,)18 b(a)23 b(brief)h(log)g(\002le)f(containing)j(a)d(list)h(of)g (the)f(input)i(parameters)g(used)150 802 y(by)f(the)f(program.)30 b(Also)23 b(listed)i(are)f(the)f(v)n(alues)i(of)e(an)h Fy(E)1964 816 y Fs(0)2026 802 y FE(shift,)g(and)g(the)g(coef)n (\002cients)h Fy(a)3008 816 y Fs(0)3048 802 y FE(,)d Fy(a)3141 816 y Fs(1)3180 802 y FE(,)h Fy(a)3274 816 y Fs(2)3313 802 y FE(,)g(and)h Fy(a)3561 816 y Fs(3)150 915 y FE(\002tted)f(to)f(mak)o(e)h(the)g Fy(f)857 882 y Fw(0)879 915 y Fx(\()p Fy(E)5 b Fx(\))23 b FE(deri)n(v)o(ed)h(from)e (the)h(input)h(XAFS)c(data)j(match)g(the)g(Cromer)n(-Liberman)h Fy(f)3415 882 y Fw(00)3457 915 y Fx(\()p Fy(E)5 b Fx(\))150 1028 y FE(f)o(ar)24 b(from)f(the)h(absorption)j(edge.)i(See)23 b(chapter)i(3)f(for)f(more)h(information)i(about)f(these)f(coef)n (\002cients.)291 1141 y(Since)32 b(the)h Fv(diffkk.log)27 b FE(written)32 b(after)h(an)f(interacti)n(v)o(e)j(session)f(can)e (also)h(be)f(used)h(as)f(a)g Fv(dif-)150 1254 y(fkk.inp)19 b FE(\002le,)j(it)h(might)g(be)g(useful)h(to)f(run)j Fz(D)t(I)t(FF)t(K)t(K)g FE(interacti)n(v)o(ely)g(once)e(when)f(\002rst) f(starting)j(each)f(ne)n(w)150 1367 y(problem,)j(cop)o(ying)h Fv(diffkk.log)20 b FE(to)26 b Fv(diffkk.inp)p FE(,)20 b(and)27 b(then)f(editing)h(that)g(to)e(fully)i(optimize)g(the)150 1480 y(con)l(v)o(ersion)g(of)c Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))24 b FE(to)f Fy(f)1034 1447 y Fw(0)1057 1480 y Fx(\()p Fy(E)5 b Fx(\))23 b FE(and)h Fy(f)1431 1447 y Fw(00)1473 1480 y Fx(\()p Fy(E)5 b Fx(\))p FE(.)291 1593 y(And)25 b(of)f(course,)i(an)f(output)h(data)g(\002le)e(is)g(also) i(written.)33 b(This)24 b(\002le)g(is)h(named)g(by)g(the)g Fq(out)d FE(parameter)l(,)150 1706 y(and)i(is)f(a)h(plain)g(ASCII)e (\002le,)h(with)h(te)o(xt)f(lines)i(\(all)f(be)o(ginning)i(with)d(a)g ('#')h(character\))i(at)e(the)g(top,)f(and)h(then)150 1819 y(5)f(columns)i(of)e(numbers)i(containing)i Fy(E)5 b FE(,)23 b Fy(f)1563 1786 y Fw(0)1585 1819 y FE(,)g Fy(f)1686 1786 y Fw(00)1727 1819 y FE(,)g Fy(f)1828 1786 y Fw(0)1818 1844 y Fs(CL)1917 1819 y FE(,)f(and)i Fy(f)2171 1786 y Fw(00)2161 1844 y Fs(CL)2260 1819 y FE(.)p eop %%Page: 6 8 6 7 bop 150 -71 a FD(3)91 b(ALGORITHMS)21 b(AND)g(PR)m(OCEDURES)e(OF)24 b(D)t(I)t(F)t(F)t(K)t(K)1516 b FC(6)p 150 -33 3749 5 v 150 266 a FB(3)119 b(Algorithms)30 b(and)h(Pr)n(ocedur)n(es)f(of)i Ft(D)6 b(I)g(FF)g(K)g(K)150 473 y FE(This)28 b(chapter)i(gi)n(v)o(es)e (justi\002cation)j(for)d(and)g(detailed)i(description)h(of)d(the)g (algorithms)j(used)d(in)i Fz(D)t(I)t(FF)t(K)t(K)r FE(.)150 586 y(Since)d Fz(D)t(I)t(FF)t(K)t(K)h FE(is)c(lik)o(ely)i(to)f(be)f (most)h(useful)h(for)f(D)l(AFS)d(analysis,)27 b(man)o(y)e(users)g(will) g(lik)o(ely)h(come)e(from)150 699 y(an)c(XAFS)d(background)24 b(and)c(may)g(not)g(be)g(f)o(amiliar)h(with)f(all)g(the)g(details)i(of) e(anomalous)i(x-ray)f(scattering.)150 812 y(So)k(we')o(ll)h(start)h (with)e(a)h(quick)h(re)n(vie)n(w)f(of)g(the)g(subject.)37 b(F)o(or)25 b(a)h(more)f(complete)j(description,)h(consult)f(the)150 925 y(standard)h(x-ray)g(references[8)t(,)d(9],)i(or)f(one)h(of)f(the)g (more)h(recent)g(re)n(vie)n(w)f(articles.[6)s(])g(Then)g(we')o(ll)h(mo) o(v)o(e)150 1038 y(on)c(to)f(what)j Fz(D)t(I)t(FF)t(K)t(K)g FE(does,)e(trying)h(to)f(gi)n(v)o(e)f(enough)j(detail)e(so)g(you)g(can) g(use)g(it)f(with)h(some)f(con\002dence.)150 1282 y Fu(3.1)99 b(Ov)o(er)o(view)25 b(of)f(Anomalous)h(Scattering)150 1457 y FE(The)h(scattering)i(po)n(wer)f(of)f(x-rays)h(by)f(an)g(atom)h (is)e(described)k(by)d(the)h(atomic)f(form)g(f)o(actor)i Fy(f)10 b FE(.[8,)25 b(9])h(The)150 1569 y(simplest)34 b(approximation)i(to)d(the)g(form)g(f)o(actor)h(is)f(to)g(ignore)h(the) f(electronic)i(le)n(v)o(els)f(of)f(the)g(atom,)i(and)150 1682 y(consider)26 b(the)e(scattering)i(from)d(a)g(collection)k(of)c (free)h(electrons.)31 b(This)23 b(gi)n(v)o(es)1244 1890 y Fy(f)1289 1904 y Fs(0)1327 1890 y Fx(\()p Fn(q)q Fx(\))j(=)1575 1775 y Fm(Z)1673 1890 y Fy(\032)1720 1904 y Fl(e)1757 1890 y Fx(\()p Fn(r)p Fx(\))15 b(exp\(2)p Fy(\031)s(i)p Fn(q)22 b Fk(\001)e Fn(r)p Fx(\))p Fy(d)p Fn(r)p Fy(;)989 b FE(\(1\))150 2101 y(where)20 b Fy(\032)438 2115 y Fl(e)475 2101 y Fx(\()p Fn(r)p Fx(\))f FE(is)g(the)h(electron)h(density)h(at)d (position)i Fn(r)e FE(and)h Fn(q)f FE(is)g(the)h(w)o(a)n(v)o(e)n(v)o (ector)h(transfer)g(of)e(the)h(dif)n(fracted)150 2214 y(x-ray)-6 b(.)32 b Fy(f)434 2228 y Fs(0)473 2214 y Fx(\()p Fn(q)p Fx(\))p FE(,)24 b(the)h(Thomson)f(scattering)j(f)o(actor)l(,)f (has)f(a)e(smooth)j Fn(q)p FE(-dependence)h(and)e(no)f(ener)n(gy)j (depen-)150 2327 y(dence.)44 b(In)29 b(f)o(act,)g(calculations)j(of)c Fy(f)1327 2341 y Fs(0)1366 2327 y Fx(\()p Fn(q)p Fx(\))h FE(usually)h(mak)o(e)e(the)h(further)h(approximation)i(that)d(the)f (electron)150 2439 y(density)33 b(is)e(spherically)j(symmetric.)53 b(And)30 b(yet,)j(though)g(completely)h(ne)o(glecting)f(the)f (quantized)h(elec-)150 2552 y(tronic)27 b(le)n(v)o(els)g(of)f(the)h (atom,)g(the)f(Thomson)h(scattering)i(f)o(actor)e(is)f(good)h(enough)i (to)d(use)g(for)h(the)f(analysis)150 2665 y(of)d(most)h(x-ray)h(dif)n (fraction)h(data.)291 2778 y(Near)c(the)g(e)o(xcitation)i(ener)n(gies)h (of)d(the)g(electronic)i(le)n(v)o(els)f(of)f(an)g(atom,)g(ho)n(we)n(v)o (er)l(,)h(the)f(approximation)150 2891 y(of)27 b(ignoring)j(the)e (electronic)i(structure)g(of)e(the)f(atom)h(puts)g(the)g(Thomson)g (scattering)i(f)o(actor)f(in)f(error)g(by)150 3004 y Fk(\030)p FE(30\045)20 b(or)g(so.)28 b(The)19 b(discrepanc)o(y)24 b(is)c(kno)n(wn)g(as)h(the)f(\223resonant)j(scattering\224)g(or)d (\223anomalous)j(scattering\224)3536 2971 y Fj(1)3577 3004 y FE(.)150 3117 y(T)-7 b(o)22 b(account)k(for)e(this)g(additional) i(scattering)g(term,)d(the)h(atomic)g(form)g(f)o(actor)h Fy(f)32 b FE(is)23 b(typically)j(written)e(as)1298 3295 y Fy(f)35 b Fx(=)25 b Fy(f)1519 3309 y Fs(0)1578 3295 y Fx(+)20 b Fy(f)1724 3257 y Fw(0)1766 3295 y Fx(+)g Fy(if)1943 3257 y Fw(00)2011 3295 y Fx(=)25 b Fy(f)2152 3309 y Fs(0)2211 3295 y Fx(+)20 b(\001)p Fy(f)5 b(:)1041 b FE(\(2\))150 3472 y(The)32 b(resonant)j(scattering)g(terms)d Fy(f)1336 3439 y Fw(0)1391 3472 y FE(and)g Fy(f)1608 3439 y Fw(00)1682 3472 y FE(depend)i(on)e(the)h(x-ray)h(ener)n(gy)g Fy(E)j FE(as)32 b(well)g(as)h Fn(q)p FE(.)55 b(In)32 b(the)150 3585 y(forw)o(ard)22 b(scattering)h(limit)e(\(that)h(is,)f (when)g Fn(q)k Fx(=)g(0)p FE(\),)c Fy(f)1880 3552 y Fw(00)1942 3585 y FE(is)g(related)h(to)f(the)g(absorption)j(coef)n(\002cient)e (through)150 3698 y(the)i(optical)h(theorem,)1290 3811 y Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))26 b(=)f(\(4)p Fy(\031)s(N)10 b Fx(\026)-45 b Fy(h)q(e)1922 3773 y Fs(2)1962 3811 y Fy(=mE)5 b Fx(\))p Fy(f)2249 3773 y Fw(00)2292 3811 y Fx(\()p Fy(E)g Fx(\))p Fy(:)1035 b FE(\(3\))150 3964 y(where)24 b Fy(N)32 b FE(is)24 b(the)g(atomic)g(number)g(density)-6 b(,)25 b Fy(e)f FE(is)f(the)h(electronic)i(char)n(ge,)f(and)f Fy(m)f FE(the)g(electronic)k(mass.)291 4077 y(Since)f(propagation)j(of) d(light)h(through)h(matter)f(is)e(a)h(causal)h(phenomenon,)i Fy(f)2812 4044 y Fw(0)2835 4077 y Fx(\()p Fy(E)5 b Fx(\))26 b FE(and)h Fy(f)3215 4044 y Fw(00)3256 4077 y Fx(\()p Fy(E)5 b Fx(\))27 b FE(obe)o(y)150 4190 y(dispersion)d(relations,)g (much)d(lik)o(e)g(those)i(relating)g(the)e(real)g(and)h(imaginary)h (parts)f(of)f(the)g(inde)o(x)h(of)f(refrac-)150 4303 y(tion.)47 b(Ignoring)31 b(an)o(y)f Fn(q)p FE(-dependence)j(of)c Fy(f)1562 4270 y Fw(0)1585 4303 y Fx(\()p Fy(E)5 b Fx(\))29 b FE(and)h Fy(f)1971 4270 y Fw(00)2013 4303 y Fx(\()p Fy(E)5 b Fx(\))p FE(,)30 b(the)g(dispersion)i(relations)g(are)d (succinctly)150 4416 y(written)24 b(using)h(the)f(Kramers-Kr)8 b(\250)-38 b(onig)25 b(transforms[10)t(])e(as)1177 4640 y Fy(f)1232 4603 y Fw(0)1255 4640 y Fx(\()p Fy(E)5 b Fx(\))84 b(=)1649 4579 y(2)p 1644 4619 56 4 v 1644 4703 a Fy(\031)1730 4640 y Fx(P)1807 4525 y Fm(Z)1890 4551 y Fw(1)1853 4714 y Fs(0)1989 4579 y Fy(E)2061 4546 y Fw(0)2085 4579 y Fy(f)2140 4546 y Fw(00)2182 4579 y Fx(\()p Fy(E)2289 4546 y Fw(0)2313 4579 y Fx(\))p 1989 4619 359 4 v 1991 4703 a Fy(E)2063 4676 y Fs(2)2124 4703 y Fk(\000)20 b Fy(E)2287 4676 y Fw(0)p Fs(2)2358 4640 y Fy(dE)2477 4603 y Fw(0)2501 4640 y Fy(;)968 b FE(\(4\))1158 4878 y Fy(f)1213 4841 y Fw(00)1255 4878 y Fx(\()p Fy(E)5 b Fx(\))84 b(=)e Fk(\000)1720 4817 y Fx(2)p 1715 4857 56 4 v 1715 4941 a Fy(\031)1800 4878 y Fx(P)1877 4763 y Fm(Z)1960 4790 y Fw(1)1923 4952 y Fs(0)2115 4817 y Fy(f)2170 4784 y Fw(0)2193 4817 y Fx(\()p Fy(E)2300 4784 y Fw(0)2324 4817 y Fx(\))p 2060 4857 354 4 v 2060 4941 a Fy(E)2132 4915 y Fs(2)2192 4941 y Fk(\000)20 b Fy(E)2355 4915 y Fw(0)p Fs(2)2424 4878 y Fy(dE)2543 4841 y Fw(0)2567 4878 y Fy(:)902 b FE(\(5\))p 150 5005 1380 4 v 255 5060 a Fi(1)284 5092 y Fh(Strictly)14 b(speaking,)j(anomalous)f(scattering)f (occurs)g(when)h Fg(dn=d!)24 b(<)d Ff(0)15 b Fh(for)f(inde)o(x)i(of)f (refraction)g Fg(n)f Fh(and)i(angular)f(frequenc)o(y)150 5183 y Fg(!)s Fh(.)22 b(In)c(modern)h(usage,)g(this)f(distinction)g(is) f(often)i(ignored,)g(and)f(anomalous)i(and)f(resonant)g(scattering)f (ha)o(v)o(e)g(tak)o(en)h(on)f(the)g(same)150 5275 y(meaning)i(\226)f (scattering)g(which)h(is)e(in\003uenced)i(by)f(core)h(electronic)f(le)n (v)o(els.)k(W)-6 b(e')o(ll)18 b(try)h(to)g(be)g(accurate)h(without)f (being)g(pedantic.)p eop %%Page: 7 9 7 8 bop 150 -71 a FD(3.2)92 b(Using)23 b Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))23 b FD(to)h(impr)n(o)o(v)o(e)g Fy(f)1316 -104 y Fw(0)1339 -71 y Fx(\()p Fy(E)5 b Fx(\))23 b FD(and)g Fy(f)1729 -104 y Fw(00)1770 -71 y Fx(\()p Fy(E)5 b Fx(\))1941 b FC(7)p 150 -33 3749 5 v 150 266 a FE(Here)26 b(\223P\224)g(indicates) i(the)f(principle)h(v)n(alue)f(of)g(the)f(inte)o(gral)i(at)e(the)g (singularity)-6 b(.)40 b(The)26 b(major)g(point)i(for)e(us)150 379 y(is)g(that)g(we)g(can)g(determine)i Fy(f)1124 346 y Fw(0)1146 379 y Fx(\()p Fy(E)5 b Fx(\))26 b FE(if)g(we)f(kno)n(w)h Fy(f)1806 346 y Fw(00)1848 379 y Fx(\()p Fy(E)5 b Fx(\))26 b FE(\(which)h(can)f(be)g(determined)i(from)e Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))p FE(\),)27 b(and)150 492 y(assume)d(that)g(the) g Fn(q)p FE(-dependence)k(of)23 b Fy(f)1424 459 y Fw(0)1447 492 y Fx(\()p Fy(E)5 b Fx(\))23 b FE(and)h Fy(f)1821 459 y Fw(00)1863 492 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(can)g(be)f (safely)i(ignored.)150 741 y Fu(3.2)99 b(Using)25 b Fe(\026)p Fd(\()p Fe(E)6 b Fd(\))24 b Fu(to)h(impr)n(o)o(v)o(e)g Fe(f)1422 705 y Fw(0)1445 741 y Fd(\()p Fe(E)6 b Fd(\))25 b Fu(and)h Fe(f)1869 705 y Fw(00)1911 741 y Fd(\()p Fe(E)6 b Fd(\))150 915 y FE(Until)27 b(the)f(recognition)k(that)d(D)l(AFS)d (can)j(pro)o(vide)h(more)f(information)h(about)g(crystals)g(than)g(is)e (a)n(v)n(ailable)150 1028 y(from)31 b(either)i(x-ray)f(dif)n(fraction)i (or)d(absorption)j(alone,)g([4)q(,)c(5)q(])g(anomalous)k(x-ray)e (scattering)i(measure-)150 1141 y(ments)e(were)g(typically)i (constructed)h(to)d(a)n(v)n(oid)i(the)e(ener)n(gy-dependent)38 b(oscillations)d(in)d(the)g(dif)n(fracted)150 1254 y(intensity)f(just)e (abo)o(v)o(e)g(the)f(resonant)j(ener)n(gies)g(of)d(bound)i(atomic)f (electronic)i(le)n(v)o(els.)43 b(F)o(or)28 b(ener)n(gies)j(just)150 1367 y(belo)n(w)37 b(the)h(absorption)j(threshold,)i(XAFS-lik)o(e)36 b(oscillations)41 b(are)d(not)f(needed)i(to)f(accurately)i(model)150 1480 y Fy(f)205 1447 y Fw(0)228 1480 y Fx(\()p Fy(E)5 b Fx(\))26 b FE(or)g Fy(f)552 1447 y Fw(00)593 1480 y Fx(\()p Fy(E)5 b Fx(\))p FE(.)37 b(Instead,)28 b(these)f(functions)h (can,)f(and)f(ha)n(v)o(e)h(been,)g(calculated)h(and)f(tab)n(ulated)h (for)f(iso-)150 1593 y(lated)d(atoms.[3)q(])f(These)g(bare-atom)i(v)n (alues)f(for)f Fy(f)1782 1560 y Fw(0)1804 1593 y Fx(\()p Fy(E)5 b Fx(\))23 b FE(and)h Fy(f)2178 1560 y Fw(00)2220 1593 y Fx(\()p Fy(E)5 b Fx(\))23 b FE(appear)h(to)f(w)o(ork)g(well)f (for)i(modeling)150 1706 y(anomalous)36 b(x-ray)f(dif)n(fraction)h (data,)h(including)f(the)e(popular)i(MAD)c(phasing)j(technique)i(for)d (macro-)150 1819 y(molecules.)291 1931 y(But)d(to)g(model)h(D)l(AFS)d (data,)34 b(accurate)f(v)n(alues)g(for)e Fy(f)2063 1898 y Fw(0)2086 1931 y Fx(\()p Fy(E)5 b Fx(\))31 b FE(and)h Fy(f)2476 1898 y Fw(00)2518 1931 y Fx(\()p Fy(E)5 b Fx(\))31 b FE(are)h(needed)h(at)e Fr(and)h(abo)o(ve)150 2044 y FE(the)i(absorption)j(threshold)f(ener)n(gy)-6 b(,)38 b(in)33 b(the)h(standard)i(XAFS)31 b(ener)n(gy)k(range.)60 b(The)34 b(bare-atom)h(v)n(alues)150 2157 y(for)h Fy(f)346 2124 y Fw(0)369 2157 y Fx(\()p Fy(E)5 b Fx(\))36 b FE(and)g Fy(f)768 2124 y Fw(00)810 2157 y Fx(\()p Fy(E)5 b Fx(\))36 b FE(from)g(Cromer)n(-Liberman)i(are)e(not)g(suf)n(\002cient)i(for)e(D) l(AFS)e(analysis,)40 b(and)d(the)150 2270 y(\002ne-structure)30 b(in)e(both)g Fy(f)1002 2237 y Fw(0)1025 2270 y Fx(\()p Fy(E)5 b Fx(\))28 b FE(and)g Fy(f)1408 2237 y Fw(00)1449 2270 y Fx(\()p Fy(E)5 b Fx(\))28 b FE(due)g(to)g(solid-state)i(ef)n (fects)f(are)f(needed.)42 b(Ideally)-6 b(,)30 b(both)e(e)o(x-)150 2383 y(perimental)22 b(and)e(theoretical)j(v)n(alues)e(for)f Fx(\001)p Fy(f)10 b Fx(\()p Fy(E)5 b Fx(\))19 b FE(could)i(be)f(used)g (to)g(model)g(D)l(AFS)e(data.)28 b(Unfortunately)-6 b(,)150 2496 y Fy(f)205 2463 y Fw(0)228 2496 y Fx(\()p Fy(E)5 b Fx(\))25 b FE(and)h Fy(f)606 2463 y Fw(00)647 2496 y Fx(\()p Fy(E)5 b Fx(\))26 b FE(are)f(more)g(dif)n(\002cult)h(to)g (measure)g(directly)h(than)f Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))p FE(.)34 b(And)25 b(for)g(historical)j(reasons,)150 2609 y(theoretical)g(understanding)h(and)c(reliable)h(calculations)i (for)d(the)g(\002ne-structure)j(in)c Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))25 b FE(ha)n(v)o(e)g(been)h(de-)150 2722 y(v)o(eloped)k(before)f(the)f(\002ne-structure)j(calculations)g(for)d Fx(\001)p Fy(f)10 b Fx(\()p Fy(E)5 b Fx(\))p FE(.)41 b(F)o(or)27 b(these)i(reasons,)j Fz(D)t(I)t(FF)t(K)t(K)f FE(uses)e(the)150 2835 y(simple)e(relation)g(between)g Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))26 b FE(and)h Fy(f)1483 2802 y Fw(00)1524 2835 y Fx(\()p Fy(E)5 b Fx(\))27 b FE(in)e(Eq.)g(3)h(and)g(the)g(Kramers-Kr)8 b(\250)-38 b(onig)28 b(transform)g(of)e(Eq.)f(4)150 2948 y(to)e(gi)n(v)o(e)h Fy(f)474 2915 y Fw(0)497 2948 y Fx(\()p Fy(E)5 b Fx(\))23 b FE(and)h Fy(f)871 2915 y Fw(00)913 2948 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(with)f(\002ne-structure.)291 3061 y(Of)h(course,)j(we)d (cannot)j(ignore)f(the)g(contrib)n(utions)j(from)c(of)n(f-resonant)j (electronic)g(le)n(v)o(els,)e(either)g(of)150 3173 y(the)g(resonant)j (atom)d(or)g(e)n(v)o(en)g(some)h(other)g(atom)f(in)g(the)h(material.)37 b(Nor)26 b(can)h(we)e(ignore)j(the)e(importance)150 3286 y(of)h(the)h(absolute)h(scale)f(of)g Fx(\001)p Fy(f)10 b FE(.)38 b(These)27 b(tw)o(o)g(aspects)i(of)f(x-ray)g(scattering)i (are)d(typically)j(ignored)f(when)150 3399 y(doing)k(XAFS,)c(b)n(ut)j (the)o(y)g(cannot)h(be)f(ignored)i(for)e(D)l(AFS)d(data.)54 b(So)31 b(the)h(basic)g(scheme)h(of)h Fz(D)t(I)t(FF)t(K)t(K)g FE(is)150 3512 y(to)d(use)g(the)g(bare-atom)i(calculations)i(from)c (Cromer)f(and)i(Liberman[3)r(])e(for)i Fx(\001)p Fy(f)10 b FE(,)30 b(which)i(are)f(assumed)150 3625 y(to)36 b(be)h(v)n(alid)g(f) o(ar)g(from)f(resonance,)42 b(and)37 b(to)f(use)h Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))36 b FE(data)i(to)e(\223put)h(the)g(wiggles)g (on\224)g(the)g(Cromer)n(-)150 3738 y(Liberman)22 b(calculation.)32 b(F)o(or)20 b(con)l(v)o(enience)26 b(and)c(ef)n(\002cienc)o(y)-6 b(,)25 b Fz(D)t(I)t(FF)t(K)t(K)g FE(uses)d(the)g(computer)h(algorithms) h(of)150 3851 y(Brennan)h(and)g(Co)n(w)o(an[7)q(])f(\(slightly)i (modi\002ed)f(to)f(be)h(more)f(compact)h(and)g(portable\),)h(for)f(the) f(bare-atom)150 3964 y(calculation)j(of)c Fx(\001)p Fy(f)10 b FE(.)150 4213 y Fu(3.3)99 b(Cr)n(omer)l(-Liberman)27 b(v)o(alues)e(f)n(or)g(anomalous)f(x-ray)h(scattering)152 4387 y Fz(D)t(I)t(FF)t(K)t(K)34 b FE(generates)f(the)d(Cromer)n (-Liberman)j(functions)g Fy(f)2091 4354 y Fw(0)2081 4413 y Fs(CL)2179 4387 y Fx(\()p Fy(E)5 b Fx(\))31 b FE(and)g Fy(f)2568 4354 y Fw(00)2558 4413 y Fs(CL)2657 4387 y Fx(\()p Fy(E)5 b Fx(\))30 b FE(for)h(the)g(bare)g(resonant)150 4500 y(atom.)f(The)23 b(atomic)h(number)h(of)f(the)g(resonant)i(atom)e (used)g(to)g(generate)i(these)f(v)n(alues)g(is)e(set)h(with)g(the)g Fq(iz)150 4613 y FE(k)o(e)o(yw)o(ord)i(in)f Fv(diffkk.inp)p FE(.)j(Data)d(for)g Fy(f)1566 4580 y Fw(0)1556 4639 y Fs(CL)1655 4613 y Fx(\()p Fy(E)5 b Fx(\))25 b FE(and)h Fy(f)2033 4580 y Fw(00)2023 4639 y Fs(CL)2121 4613 y Fx(\()p Fy(E)5 b Fx(\))26 b FE(are)f(determined)i(on)e(a)g(uniform)h (ener)n(gy)150 4726 y(grid)j(speci\002ed)g(by)f(the)h Fq(egrid)c FE(parameter)l(,)31 b(and)d(o)o(v)o(er)h(the)f(ener)n(gy)i (range)f(speci\002ed)h(by)e(the)g(input)i(data)150 4839 y(range)25 b(and)f(the)f Fq(elow)e FE(and)j Fq(ehigh)d FE(parameters.)293 4952 y Fz(D)t(I)t(FF)t(K)t(K)29 b FE(then)d(broadens)h(the)f(Cromer)n(-Liberman)h(data)f(by)f(con)l(v)n (olution)30 b(with)25 b(a)f(Lorentzian)k(whose)150 5065 y(width)i(is)f(set)h(by)f(the)h Fq(ewidth)c FE(parameter)-5 b(.)48 b(Though)31 b(this)f(has)f(essentially)k(no)c(ef)n(fect)i(on)e Fy(f)3208 5032 y Fw(0)3198 5090 y Fs(CL)3297 5065 y Fx(\()p Fy(E)5 b Fx(\))30 b FE(and)150 5178 y Fy(f)205 5145 y Fw(00)195 5203 y Fs(CL)294 5178 y Fx(\()p Fy(E)5 b Fx(\))32 b FE(f)o(ar)g(from)g(resonance,)k(it)c(does)h(smooth)g(out)f(the)g(v)o (ery)g(sharp)h(step)g(\226)f(1)f(data)i(point)g(wide)f(\226)f(in)p eop %%Page: 8 10 8 9 bop 150 -71 a FD(3.4)92 b(Matching)23 b Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))24 b FD(to)f(Cr)n(omer)m(-Liberman)h Fy(f)1870 -104 y Fw(00)1912 -71 y Fx(\()p Fy(E)5 b Fx(\))1799 b FC(8)p 150 -33 3749 5 v 150 266 a Fy(f)205 233 y Fw(00)195 292 y Fs(CL)294 266 y Fx(\()p Fy(E)5 b Fx(\))25 b FE(right)h(at)g(the)f (resonant)j(ener)n(gy)-6 b(.)36 b(The)24 b(broadening)29 b(compensates)f(for)d(the)h(\002nite)f(ener)n(gy)j(resolu-)150 379 y(tion)i(of)f(the)g(measurement)i(and)f(the)f(\002nite)g(width)h (of)f(the)g(resonance)j(due)d(to)g(the)h(\002nite)f(lifetime)h(of)f (the)150 492 y(e)o(xcited)c(core)f(hole,)g(both)g(of)g(which)g(are)g (ne)o(glected)h(in)f(the)g(Cromer)n(-Liberman)h(calculation.)150 741 y Fu(3.4)99 b(Matching)26 b Fe(\026)p Fd(\()p Fe(E)6 b Fd(\))24 b Fu(to)h(Cr)n(omer)l(-Liberman)i Fe(f)2029 705 y Fw(00)2071 741 y Fd(\()p Fe(E)6 b Fd(\))150 915 y FE(After)32 b(obtaining)i(broadened)g Fy(f)1211 882 y Fw(0)1201 941 y Fs(CL)1300 915 y Fx(\()p Fy(E)5 b Fx(\))32 b FE(and)g Fy(f)1691 882 y Fw(00)1681 941 y Fs(CL)1780 915 y Fx(\()p Fy(E)5 b Fx(\))32 b FE(functions,)37 b Fz(D)t(I)t(FF)t(K)t(K)e FE(con)l(v)o(erts)f(the)e(XAFS)d Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))150 1028 y FE(into)23 b Fy(f)368 995 y Fw(00)410 1028 y Fx(\()p Fy(E)5 b Fx(\))23 b FE(by)g(matching)h(to)e Fy(f)1195 995 y Fw(00)1185 1054 y Fs(CL)1284 1028 y Fx(\()p Fy(E)5 b Fx(\))p FE(.)29 b(XAFS)20 b(data)j(is)g(typically)i Fr(not)f FE(measured)h(as)d(the)h (full)g(absorption)150 1141 y(cross-section,)j(with)21 b(the)h(relati)n(v)o(e)h(v)n(alues)f(of)g(the)g(pre-edge)i(and)e (post-edge)i Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))22 b FE(in)f(the)h (proportions)j(set)150 1254 y(by)h(the)h(full)f(absorption)j (cross-sections.)41 b(In)26 b(f)o(act,)h(the)g(pre-edge)h (cross-section)i(is)c(usually)i(deliberately)150 1367 y(suppressed,)e(and)e(the)g(edge-step)i(is)e(usually)h(normalized)h(to) d(1.)29 b(So)22 b(we)h(set)h Fy(f)2670 1334 y Fw(00)2711 1367 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(to)667 1571 y Fy(f)722 1534 y Fw(00)764 1571 y Fx(\()p Fy(E)5 b Fx(\))26 b(=)f Fy(a)1076 1585 y Fs(0)1135 1571 y Fx(+)20 b Fy(a)1274 1585 y Fs(1)1314 1571 y Fy(\026)p Fx(\()p Fy(E)1476 1534 y Fw(0)1500 1571 y Fx(\)\()p Fy(E)1642 1534 y Fw(0)1666 1571 y Fy(=E)1778 1585 y Fs(0)1818 1571 y Fx(\))h(+)e(\()p Fy(E)2071 1534 y Fw(0)2116 1571 y Fk(\000)h Fy(E)2274 1585 y Fs(0)2313 1571 y Fx(\))p Fy(a)2396 1585 y Fs(2)2456 1571 y Fx(+)g(\()p Fy(E)2654 1534 y Fw(0)2698 1571 y Fk(\000)g Fy(E)2856 1585 y Fs(0)2896 1571 y Fx(\))2931 1534 y Fs(2)2970 1571 y Fy(a)3018 1585 y Fs(3)3058 1571 y Fy(:)411 b FE(\(6\))150 1775 y(Here,)24 b Fy(E)445 1742 y Fw(0)494 1775 y Fx(=)i Fy(E)g Fx(+)20 b(\001)p Fy(E)5 b FE(,)24 b(so)g(as)f(to)h(allo)n(w)g(a)g(shift)h(of)f(the)g (ener)n(gy)i(scales)f(between)g(the)f(Cromer)n(-Liberman)150 1888 y(v)n(alues)30 b(and)g(the)f(input)i Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))29 b FE(data,)i(and)e Fy(E)1579 1902 y Fs(0)1647 1888 y FE(is)g(the)h(nominal)g(v)n(alue)g(of)f(the)g (resonant)j(ener)n(gy)f(\(set)e(with)150 2001 y(the)f Fq(e0)e FE(k)o(e)o(yw)o(ord\).)43 b(The)28 b(v)n(alues)h(of)f Fy(a)1410 2015 y Fs(0)1449 2001 y FE(,)g Fy(a)1548 2015 y Fs(1)1587 2001 y FE(,)g Fy(a)1686 2015 y Fs(2)1726 2001 y FE(,)g Fy(a)1825 2015 y Fs(3)1864 2001 y FE(,)g(and)g Fx(\001)p Fy(E)k FE(are)d(all)e(adjusted)k(until)d(this)h Fy(f)3242 1968 y Fw(00)3283 2001 y Fx(\()p Fy(E)5 b Fx(\))29 b FE(best)150 2114 y(matches)c Fy(f)526 2081 y Fw(00)516 2140 y Fs(CL)614 2114 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(\(in)g(the)g (least-squares)j(sense\))e(between)f Fy(E)2172 2128 y Fs(0)2232 2114 y Fk(\000)c Fy(E)2390 2129 y Fs(lo)n(w)2522 2114 y FE(and)k Fy(E)2743 2128 y Fs(0)2803 2114 y Fx(+)c Fy(E)2961 2129 y Fs(high)3098 2114 y FE(.)291 2227 y(In)30 b(addition,)k(there)d(is)g(some)f(special)i(processing)h(needed)f(for)f (data)g(from)h Fz(F)t(E)t(FF)r FE(.)51 b(This)30 b(is)g(because)152 2340 y Fz(F)t(E)t(FF)e FE(calculates)f(only)e(the)f Fr(r)m(esonant)j FE(part)e(of)f Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))p FE(,)23 b(and)i(does)g(not)f(calculate)i Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))24 b FE(belo)n(w)g(the)g(absorp-)150 2453 y(tion)g(edge.)30 b(Since)23 b(there)i(is)e(essentially)j(no)e(data)g(belo)n(w)g(the)f (edge,)h(this)g(mak)o(es)g(it)g(a)f(bit)g(hard)i(to)e(carefully)150 2566 y(match)j(the)f(step)h(height)h(of)e(the)h(calculation)i(to)d(the) h(Cromer)n(-Liberman)h Fy(f)2584 2533 y Fw(00)2626 2566 y Fx(\()p Fy(E)5 b Fx(\))p FE(.)34 b(So)24 b(to)h(compensate)j(for)150 2679 y(this)k(shortcoming,)38 b Fz(F)t(E)t(FF)r FE(')-5 b(s)34 b Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))31 b FE(is)g(\223padded\224)j (with)d(zeros)h(in)g(the)f(pre-edge)j(re)o(gion.)53 b(The)31 b(tw)o(o)f(rele-)150 2792 y(v)n(ant)f(program)g(parameters)h Fq(npad)c FE(and)j Fq(epad)d FE(gi)n(v)o(e)i(the)g(number)i(of)e (points)i(to)e(add,)h(and)g(their)g(ener)n(gy)150 2904 y(spacing,)c(respecti)n(v)o(ely)-6 b(.)32 b(It)23 b(seems)h(that)g Fq(npad=5)c FE(and)k Fq(epad)53 b(=)h(20)22 b FE(are)h(usually)j (adequate.)150 3154 y Fu(3.5)99 b(Numerical)25 b(Kramers-Kr)1392 3153 y(\250)1384 3154 y(onig)g(T)-7 b(ransf)n(orms)150 3328 y FE(The)19 b(Kramers-Kr)8 b(\250)-38 b(onig)22 b(transform)g(of)e(Eq.)e(4)i(is)f(not)i(e)o(xtremely)g(useful)g(for)f (numerical)i(calculations)h(using)150 3441 y(real)i(data.)33 b(The)24 b(main)h(problem)g(is)g(that)g(the)g(inte)o(grals)h(e)o(xtend) g(from)f(0)f(to)h Fk(1)p FE(,)e(which)i(is)g(an)f(incon)l(v)o(enient) 150 3554 y(ener)n(gy)30 b(range)g(o)o(v)o(er)f(which)g(to)f(measure)i Fy(f)1574 3521 y Fw(00)1616 3554 y Fx(\()p Fy(E)5 b Fx(\))p FE(.)44 b(And)28 b(since)i(dispersions)h(relations)g(lik)o(e)f(this)f (inte)o(gral)150 3667 y(are)22 b(not)h(\223local)g(in)g(ener)n(gy\224)h (\(that)f(is,)f Fy(f)1406 3634 y Fw(0)1429 3667 y Fx(\()p Fy(E)1531 3681 y Fs(1)1571 3667 y Fx(\))f FE(depends)k(on)d(v)n(alues)h (of)f Fy(f)2462 3634 y Fw(00)2504 3667 y Fx(\()p Fy(E)5 b Fx(\))23 b FE(v)o(ery)f(f)o(ar)h Fy(E)30 b Fx(=)25 b Fy(E)3232 3681 y Fs(1)3272 3667 y FE(\),)c(we)h(can)150 3780 y(not)g(simply)h(cut)g(the)f(inte)o(gral)i(to)e(some)g(easily)h (measured)h(range)f(and)g(mak)o(e)f(a)g(correction)j(to)d(get)g(back)h (the)150 3892 y(correct)g(answer)f(F)o(ortunately)-6 b(,)24 b(the)e(Kramers-Kr)8 b(\250)-38 b(onig)24 b(transform)f(is)e Fr(linear)r FE(,)i(so)f(we)f(can)h(break)g Fy(f)3282 3859 y Fw(0)3305 3892 y Fx(\()p Fy(E)5 b Fx(\))22 b FE(and)150 4005 y Fy(f)205 3972 y Fw(00)247 4005 y Fx(\()p Fy(E)5 b Fx(\))29 b FE(into)i(pieces)f(which)g(are)g(themselv)o(es)h (Kramers-Kr)8 b(\250)-38 b(onig)32 b(conjugate)f(pairs.)48 b(Since)29 b Fy(f)3208 3972 y Fw(0)3198 4031 y Fs(CL)3297 4005 y Fx(\()p Fy(E)5 b Fx(\))30 b FE(and)150 4118 y Fy(f)205 4085 y Fw(00)195 4144 y Fs(CL)294 4118 y Fx(\()p Fy(E)5 b Fx(\))26 b FE(already)h(satisfy)g(this)g(requirement)1609 4085 y Fj(2)1649 4118 y FE(,)f(this)g(gi)n(v)o(es)g(a)f(con)l(v)o (enient)k(w)o(ay)d(to)f(break)i(up)f(the)g(inte)o(gral.)150 4231 y(W)-7 b(e)23 b(ha)n(v)o(e)823 4372 y Fy(f)878 4334 y Fw(0)901 4372 y Fx(\()p Fy(E)5 b Fx(\))26 b(=)f Fy(f)1220 4334 y Fw(0)1210 4394 y Fs(CL)1309 4372 y Fx(\()p Fy(E)5 b Fx(\))21 b(+)1578 4310 y(2)p 1573 4351 56 4 v 1573 4434 a Fy(\031)1658 4372 y Fx(P)1735 4257 y Fm(Z)1818 4283 y Fw(1)1781 4446 y Fs(0)1918 4310 y Fy(E)1990 4277 y Fw(0)2014 4310 y Fx([)p Fy(f)2094 4277 y Fw(00)2136 4310 y Fx(\()p Fy(E)2243 4277 y Fw(0)2267 4310 y Fx(\))f Fk(\000)g Fy(f)2468 4277 y Fw(00)2458 4336 y Fs(CL)2557 4310 y Fx(\()p Fy(E)2664 4277 y Fw(0)2688 4310 y Fx(\)])p 1918 4351 831 4 v 2156 4434 a Fy(E)2228 4408 y Fs(2)2288 4434 y Fk(\000)g Fy(E)2451 4408 y Fw(0)p Fs(2)2758 4372 y Fy(dE)2877 4334 y Fw(0)2901 4372 y Fy(:)568 b FE(\(7\))150 4570 y(The)29 b(inte)o(gral)i(here)e(is)g(the)h Fr(dif)n(fer)m(ence)i FE(Kramers-Kr)8 b(\250)-38 b(onig)31 b(transform.)47 b(It)29 b(is)g(easier)i(to)e(calculate)i(numer)n(-)150 4683 y(ically)k(than)f(the)g(full)h(Kramers-Kr)8 b(\250)-38 b(onig)35 b(transform)h(of)d(Eq.)g(4)g(because)j Fx([)p Fy(f)2642 4650 y Fw(00)2684 4683 y Fx(\()p Fy(E)2791 4650 y Fw(0)2815 4683 y Fx(\))28 b Fk(\000)g Fy(f)3032 4650 y Fw(00)3022 4709 y Fs(CL)3120 4683 y Fx(\()p Fy(E)3227 4650 y Fw(0)3251 4683 y Fx(\)])34 b FE(is)f(only)150 4796 y(non-zero)d(within)f Fk(\030)p FE(1000eV)g(of)f(the)h(resonant)h (ener)n(gy)-6 b(.)45 b(This)28 b(is)g(the)g(crux)h(of)f(the)h(whole)f (method:)40 b(The)p 150 4877 1380 4 v 255 4933 a Fi(2)284 4964 y Fh(W)-6 b(ell,)23 b(to)f(within)g(the)h(accurac)o(y)g(needed.)36 b(The)22 b(Cromer)o(-Liberman)h(calculation)g(do)g(break)g(do)n(wn)g (at)g(v)o(ery)g(high)g(ener)o(gies,)150 5056 y(b)o(ut)18 b(assuming)i(that)e(you')l(v)o(e)i(k)o(ept)f(your)g(x-rays)g(belo)n(w)f (100)i(K)n(eV)-10 b(,)18 b(the)h(ef)n(fects)f(of)g(pair)o(-production)i (can)f(probably)g(be)g(ne)o(glected,)150 5147 y(and)h(then)f(the)g (Cromer)o(-Liberman)g(calculations)g(are)g(causal)h Fc(enough)p Fh(.)k(See)19 b(Ref)g([11])g(for)g(more)g(information.)p eop %%Page: 9 11 9 10 bop 150 -71 a FD(3.5)92 b(Numerical)23 b(Kramers-Kr)1282 -72 y(\250)1274 -71 y(onig)i(T)-7 b(ransf)n(orms)1939 b FC(9)p 150 -33 3749 5 v 150 266 a FE(Kramers-Kr)8 b(\250)-38 b(onig)29 b(transform)f(of)f(the)g(part)g(of)g Fy(f)1719 233 y Fw(00)1761 266 y Fx(\()p Fy(E)5 b Fx(\))27 b FE(due)g(to)g(the)g (local)h(en)l(vironment)i(gi)n(v)o(es)d(the)g(part)g(of)150 379 y Fy(f)205 346 y Fw(0)228 379 y Fx(\()p Fy(E)5 b Fx(\))23 b FE(due)h(to)g(the)g(local)g(en)l(vironment.)291 492 y(The)e(dif)n(ference)i(Kramers-Kr)8 b(\250)-38 b(onig)24 b(inte)o(gral)f(can)g(be)f(done)g(o)o(v)o(er)g(a)g(\002nite)g(ener)n (gy)i(range,)f(b)n(ut)f(it)g(is)g(still)150 605 y(a)j(singular)j(inte)o (gral,)g(so)e(there)h(is)f(some)g(question)i(about)f(the)f(best)h(w)o (ay)e(to)h(do)g(it)g(numerically)-6 b(.)38 b(F)o(or)25 b(that,)150 718 y(we)d(rely)h(on)f(Ohta)h(and)g(Ishida[12)s(],)f(who)g (compared)i(se)n(v)o(eral)g(numerical)g(methods)g(for)e(Kramers-Kr)8 b(\250)-38 b(onig)150 831 y(transforms,)25 b(and)e(recommended)i(using) g(a)d(MacLaurin)i(series)h(approach)g(for)e(both)h(speed)g(and)g (accurac)o(y)-6 b(.)150 943 y(In)23 b(this)i(sense,)f(the)g(inte)o (gral)h(in)e(Eq.)g(7)g(can)h(be)f(approximated)k(at)c(each)i(ener)n(gy) g(v)n(alue)f Fy(E)2996 957 y Fl(i)3047 943 y FE(as)720 1236 y Fy(f)775 1198 y Fw(0)797 1236 y Fx(\()p Fy(E)899 1250 y Fl(i)928 1236 y Fx(\))h(=)g Fy(f)1139 1198 y Fw(0)1129 1258 y Fs(CL)1228 1236 y Fx(\()p Fy(E)1330 1250 y Fl(i)1359 1236 y Fx(\))20 b(+)1515 1174 y(4\()p Fy(E)1662 1188 y Fl(N)1750 1174 y Fk(\000)g Fy(E)1908 1188 y Fs(1)1948 1174 y Fx(\))p Fy(E)2050 1188 y Fl(i)p 1515 1215 564 4 v 1614 1298 a Fy(\031)s Fx(\()p Fy(N)31 b Fk(\000)20 b Fx(1\))2104 1121 y Fl(N)q(=)p Fs(2)2108 1155 y Fm(X)2104 1339 y Fl(k)r Fs(=1)2257 1174 y Fx([)p Fy(f)2337 1141 y Fw(00)2379 1174 y Fx(\()p Fy(E)2481 1189 y Fl(k)2525 1174 y Fx(\))g Fk(\000)g Fy(f)2726 1141 y Fw(00)2716 1200 y Fs(CL)2815 1174 y Fx(\()p Fy(E)2917 1189 y Fl(k)2960 1174 y Fx(\)])p 2257 1215 764 4 v 2462 1298 a Fy(E)2534 1272 y Fw(0)p Fs(2)2613 1298 y Fk(\000)g Fy(E)2776 1272 y Fs(2)3494 1236 y FE(\(8\))150 1523 y(where)35 b Fy(k)48 b Fx(=)d(2)p Fy(j)34 b Fk(\000)28 b Fy(i)863 1490 y Fw(\000)p Fs(1)958 1523 y FE(.)60 b(In)34 b(essence,)39 b(this)c(is)f(a)g(simple) g(Simpson')-5 b(s)36 b(rule)f(inte)o(gration)i(with)d(the)g(sum)150 1636 y(being)27 b(o)o(v)o(er)g(e)n(v)o(ery-other)h(point)g(\226)e(to)g (get)g Fy(f)1573 1603 y Fw(0)1596 1636 y Fx(\()p Fy(E)1698 1650 y Fl(i)1726 1636 y Fx(\))g FE(for)h(e)n(v)o(en)f Fy(i)p FE(,)g(sum)g(o)o(v)o(er)g(the)h Fr(odd)i FE(indices)f Fy(j)j FE(of)26 b Fy(f)3361 1603 y Fw(00)3403 1636 y Fx(\()p Fy(E)3505 1650 y Fl(j)3542 1636 y Fx(\))p FE(.)150 1749 y(This)32 b(con)l(v)o(eniently)k(a)n(v)n(oids)e(the)e(di)n(vision) i(by)e(zero)h(at)f Fy(i)41 b Fx(=)g Fy(j)5 b FE(,)33 b(and)g(still)g(pro)o(vides)h(enough)g(data)e(to)g(be)150 1862 y(accurate.)39 b(It)26 b(does,)i(ho)n(we)n(v)o(er)l(,)f(lead)g(to) g(a)f(fe)n(w)f(potential)k(problems)f(to)e(w)o(atch)h(out)f(for)-5 b(.)38 b(First,)27 b(the)f Fy(f)3415 1829 y Fw(00)3457 1862 y Fx(\()p Fy(E)5 b Fx(\))150 1975 y FE(data)25 b(must)g(be)g (sampled)h(at)e(a)g(high)i(enough)g(frequenc)o(y)h(so)e(that)g(using)h (e)n(v)o(ery)f(other)h(point)g(is)e(suf)n(\002ciently)150 2088 y(accurate.)44 b(F)o(ortunately)-6 b(,)31 b(the)d(rather)i(slo)n (w)d(decay)j(of)d Fx(1)p Fy(=)p Fx(\()p Fy(E)2093 2055 y Fw(0)p Fs(2)2177 2088 y Fk(\000)c Fy(E)2343 2055 y Fs(2)2383 2088 y Fx(\))28 b FE(helps)h(assure)g(that)g(enough)h(points) 150 2201 y(of)25 b Fy(f)305 2168 y Fw(00)347 2201 y Fx(\()p Fy(E)5 b Fx(\))25 b FE(actually)i(count)g(signi\002cantly)h(in)d Fy(f)1677 2168 y Fw(0)1699 2201 y Fx(\()p Fy(E)5 b Fx(\))26 b FE(that)f(this)h(shouldn')n(t)i(be)d(a)g(serious)i(concern)g(for)f (data)150 2314 y(sampled)c(at)f(1eV)g(or)g(so.)28 b(The)20 b(second)j(problem)f(is)f(that)h(an)f(abrupt)h(step)g(in)f Fy(f)2624 2281 y Fw(00)2666 2314 y Fx(\()p Fy(E)5 b Fx(\))11 b Fk(\000)g Fy(f)2956 2281 y Fw(00)2946 2339 y Fs(CL)3045 2314 y Fx(\()p Fy(E)5 b Fx(\))p FE(,)21 b(which)h(can)150 2426 y(happen)30 b(if)f Fy(E)591 2440 y Fs(0)658 2426 y FE(of)f(the)h(input)h Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))29 b FE(is)f(not)h(e)o(xactly)h(at)e(the)h(Cromer)n(-Liberman)i Fy(E)2849 2440 y Fs(0)2916 2426 y FE(for)e(that)g(resonance,)150 2539 y(can)h(cause)g(\223odd-e)n(v)o(en)i(noise\224)e(where)g(the)g (resulting)h Fy(f)1991 2506 y Fw(0)2014 2539 y Fx(\()p Fy(E)5 b Fx(\))29 b FE(has)h(some)f(small)h(non-smooth)i(v)n(ariations) 150 2652 y(between)j(adjacent)h(points.)62 b(This)34 b(can)g(usually)i(be)e(reduced,)k(if)c(not)g(eliminated,)39 b(by)34 b(broadening)j(the)150 2765 y(Cromer)n(-Liberman)32 b Fy(f)894 2732 y Fw(00)936 2765 y Fx(\()p Fy(E)5 b Fx(\))31 b FE(and)g Fy(f)1325 2732 y Fw(0)1347 2765 y Fx(\()p Fy(E)5 b Fx(\))p FE(,)33 b(which)e(ef)n(fecti)n(v)o(ely)h(spreads)g (the)f(discontinuity)k(in)30 b(the)h(edge-)150 2878 y(step)22 b(enough)i(so)d(that)i(it)e(is)g(seen)i(equi)n(v)n(alently)h(by)e(both) h(the)f(e)n(v)o(en)f(and)i(odd)f(indices,)h(and)f(by)g(making)h(sure) 150 2991 y(that)h(the)g(bare)g(atom)g(calculation)i(and)e(input)h Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))23 b FE(agree)i(on)f Fy(E)2233 3005 y Fs(0)2295 2991 y FE(for)g(the)f(resonance.)p eop %%Page: 10 12 10 11 bop 150 -71 a FD(4)91 b(EXAMPLES)3014 b FC(10)p 150 -33 3749 5 v 150 266 a FB(4)119 b(Examples)150 473 y FE(No)n(w)21 b(for)i(a)f(couple)i(e)o(xamples.)29 b(Both)23 b(use)f(Cu)g(as)g(the)h(resonant)i(atom.)j(The)22 b(\002rst)g(uses)h (measured)h(absorp-)150 586 y(tion)d(data)g(for)f(Cu)g(metal,)h(which)f (isn')n(t)i(all)e(that)h(interesting)i(a)d(problem)h(for)g(D)l(AFS,)d (b)n(ut)i(illustrates)j(the)e(ba-)150 699 y(sics)g(of)f(using)j Fz(D)t(I)t(FF)t(K)t(K)r FE(.)29 b(The)20 b(second)i(e)o(xample)f(uses)g (a)f Fv(xmu.dat)c FE(\002le)k(from)i Fz(F)t(E)t(FF)i FE(for)d Fx(YBa)3181 713 y Fs(2)3221 699 y Fx(Cu)3338 713 y Fs(3)3377 699 y Fx(O)3448 713 y Fs(6)p Fl(:)p Fs(68)3577 699 y FE(,)150 812 y(which)j(is)f(a)f(problem)j(slightly)g(more)e (appropriate)j(for)e(D)l(AFS.)c(The)j(\002les)g(mentioned)i(in)e(this)h (chapter)h(are)150 925 y(all)f(a)n(v)n(aiable)h(from)f(the)h Fz(D)t(I)t(FF)t(K)t(K)i FE(web)c(page:)291 1038 y(http://cars.uchicago) q(.edu)q(/\230n)q(e)n(wvill)q(e/d)q(afs)q(/di)q(f)n(fkk)q(/)150 1287 y Fu(4.1)99 b(Example)25 b(1:)31 b(Experimental)26 b(Data)f(f)n(or)g(Metallic)f(Cu)150 1461 y FE(Here)i(is)g(a)g Fv(diffkk.inp)21 b FE(for)26 b(e)o(xperimental)j Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))26 b FE(data)h(of)g(metallic)g(Cu.)36 b(This)26 b(\002le)g(\(which)h(is)f(called)150 1574 y Fv(dk-exp.inp)18 b FE(in)24 b(the)f(distrib)n(ution\),)28 b(w)o(as)23 b(deri)n(v)o(ed)i(from)e(running)28 b Fz(D)t(I)t(FF)t(K)t (K)e FE(interacti)n(v)o(ely)-6 b(.:)p 466 1705 3102 4 v 466 3324 4 1620 v 516 1808 a Fq(\045--------------)o(--)o(---)o(--)o (--)o(-\045)680 1921 y(title)52 b(=)i(Cu)g(XAFS)f(data)789 2034 y(out)g(=)h(exp.fpp)379 b(\045)54 b(output)e(file)g(name)789 2147 y(xmu)h(=)h(cu_exp.xmu)214 b(\045)54 b(xmu)f(data)g(file)g(name) 625 2260 y(isfeff)f(=)i(false)489 b(\045)54 b(is)g(this)e(a)i(feff)f (xmu.dat?)680 2372 y(encol)f(=)218 b(1)545 b(\045)54 b(energy)e(column)680 2485 y(mucol)g(=)218 b(2)545 b(\045)54 b(mu\(E\))107 b(column)843 2598 y(iz)54 b(=)163 b(29)545 b(\045)54 b(Z)109 b(of)53 b(central)f(atom)843 2711 y(e0)i(=)163 b(8977.9700)d(\045)54 b(edge)f(energy)680 2824 y(egrid)f(=)327 b(1.0000)161 b(\045)54 b(energy)e(grid)625 2937 y(ewidth)g(=)327 b(1.5000)161 b(\045)54 b(for)f(broadening)d(CL)734 3050 y(elow)j(=)218 b(200.0000)160 b(\045)54 b(\\)g(how)f(far)g(below)g(and) g(above)680 3163 y(ehigh)f(=)218 b(500.0000)160 b(\045)54 b(/)g(the)f(data)g(range)f(to)i(go)516 3276 y(\045--------------)o(--)o (---)o(--)o(--)o(-\045)p 3563 3324 V 466 3327 3102 4 v 3565 3361 35 1626 v 499 3361 3102 35 v 150 3573 a FE(Running)37 b Fz(D)t(I)t(FF)t(K)t(K)f FE(with)d(this)h(input)h(\002le)d(produces)k Fv(exp.fpp)29 b FE(as)k(the)h(output)h(\002le.)57 b(Figure)34 b(1)f(sho)n(ws)150 3686 y(the)e Fy(f)346 3653 y Fw(00)388 3686 y Fx(\()p Fy(E)5 b Fx(\))31 b FE(deri)n(v)o(ed)i(from)e(the)g (XAFS)e Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))p FE(,)32 b(scaled)h(to)e (match)g(the)h(Cromer)n(-Liberman)h(function)g(f)o(ar)150 3799 y(from)c(resonance.)47 b(That)29 b(w)o(ould)g(be)g(\223the)h (input\224)g(to)h Fz(D)t(I)t(FF)t(K)t(K)r FE(.)46 b(Figure)29 b(2)g(sho)n(ws)g(\223the)g(output\224)i(\226)d Fy(f)3434 3766 y Fw(0)3457 3799 y Fx(\()p Fy(E)5 b Fx(\))150 3912 y FE(from)21 b(the)h(dif)n(ference)i(Kramers-Kr)8 b(\250)-38 b(onig)24 b(transform)f(of)e Fy(f)2013 3879 y Fw(00)2055 3912 y Fx(\()p Fy(E)5 b Fx(\))p FE(.)28 b(the)22 b(bare-atom)h Fy(f)2824 3879 y Fw(00)2866 3912 y Fx(\()p Fy(E)5 b Fx(\))22 b FE(and)g Fy(f)3237 3879 y Fw(0)3259 3912 y Fx(\()p Fy(E)5 b Fx(\))22 b FE(from)150 4025 y(Cromer)n(-Liberman)j(are)f(sho)n (wn)g(for)g(comparison.)150 4274 y Fu(4.2)99 b(Example)25 b(2:)31 b(using)25 b Fb(xmu.dat)f Fu(fr)n(om)j Fp(F)t(E)t(FF)150 4448 y FE(No)n(w)36 b(we')o(ll)i(use)g(a)f Fv(xmu.dat)c FE(\002le)k(from)i Fz(F)t(E)t(FF)j FE(with)d Fz(D)t(I)t(FF)t(K)t(K)i FE(to)c(generate)j(theoretical)g Fy(f)3266 4415 y Fw(0)3289 4448 y Fx(\()p Fy(E)5 b Fx(\))38 b FE(and)150 4561 y Fy(f)205 4528 y Fw(00)247 4561 y Fx(\()p Fy(E)5 b Fx(\))p FE(.)52 b(Since)33 b Fz(F)t(E)t(FF)j FE(calculates)e(the)d (\002ne-structure)k(of)c(a)g(single)h(atom)g(in)f(a)g(cluster)l(,)j(it) d(can)h(generate)150 4674 y(the)26 b(spectra)h(of)e(an)g(atom)h(at)f (an)o(y)g(crystallographic)31 b(site.)j(XAFS)23 b(measurements)28 b(gi)n(v)o(e)d(the)h(a)n(v)o(erage)h(o)o(v)o(er)150 4787 y(all)e(atoms)h(in)f(the)h(unit)g(cell.)34 b(So,)25 b(in)g(order)h(to)f (model)h(the)g(D)l(AFS)d(for)i(an)h(atom)f(that)h(occupies)h(more)e (than)150 4900 y(one)34 b(site)g(in)g(a)f(unit)i(cell,)h(using)f(e)o (xperimental)i(XAFS)31 b(data)j(will)g(not)g(be)g(good)g(enough,)k(and) c(getting)150 5013 y Fy(f)205 4980 y Fw(00)247 5013 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(and)g Fy(f)622 4980 y Fw(0)644 5013 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(from)h Fz(F)t(E)t(FF)1185 4980 y Fj(3)1249 5013 y FE(is)e(the)h(only)g(w)o(ay) -6 b(.)p 150 5097 1380 4 v 255 5153 a Fi(3)284 5184 y Fh(W)g(ell,)18 b(I)h(suppose)h(you)g Fc(could)i Fh(use)d(some)g(other)h (theoretical)f(XAFS)e(calculation.)p eop %%Page: 11 13 11 12 bop 150 -71 a FD(4.2)92 b(Example)23 b(2:)29 b(using)23 b Fa(xmu.dat)c FD(fr)n(om)26 b FA(F)t(E)t(FF)1945 b FC(11)p 150 -33 3749 5 v 150 2111 a @beginspecial @setspecial gnudict begin gsave 50 50 translate 0.100 0.100 scale 0 setgray /Helvetica findfont 100 scalefont setfont newpath -500.000000 -500.000000 translate LTa 600 251 M 2817 0 V LTb 600 251 M 63 0 V 2754 0 R -63 0 V 600 457 M 63 0 V 2754 0 R -63 0 V 600 664 M 63 0 V 2754 0 R -63 0 V 600 870 M 63 0 V 2754 0 R -63 0 V 600 1077 M 63 0 V 2754 0 R -63 0 V 600 1283 M 63 0 V 2754 0 R -63 0 V 600 1490 M 63 0 V 2754 0 R -63 0 V 600 1696 M 63 0 V 2754 0 R -63 0 V 600 1903 M 63 0 V 2754 0 R -63 0 V 600 2109 M 63 0 V 2754 0 R -63 0 V 600 251 M 0 63 V 0 1795 R 0 -63 V 1112 251 M 0 63 V 0 1795 R 0 -63 V 1624 251 M 0 63 V 0 1795 R 0 -63 V 2137 251 M 0 63 V 0 1795 R 0 -63 V 2649 251 M 0 63 V 0 1795 R 0 -63 V 3161 251 M 0 63 V 0 1795 R 0 -63 V 600 251 M 2817 0 V 0 1858 V -2817 0 V 600 251 L LT0 600 462 M 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 2 1 V 3 2 V 3 1 V 2 1 V 3 2 V 2 3 V 3 2 V 2 4 V 3 5 V 2 5 V 3 10 V 3 16 V 2 31 V 3 82 V 2 188 V 3 203 V 2 77 V 3 -6 V 3 -13 V 2 27 V 3 53 V 2 54 V 3 59 V 2 78 V 3 106 V 2 115 V 3 113 V 3 100 V 2 68 V 3 8 V 2 -32 V 3 -44 V 2 -40 V 3 -20 V 3 8 V 2 40 V 3 56 V 2 47 V 3 22 V 2 -22 V 3 -38 V 2 -43 V 3 -39 V 3 -30 V 2 -25 V 3 -22 V 2 -13 V 3 0 V 2 8 V 3 10 V 2 14 V 3 18 V 3 23 V 2 25 V 3 24 V 2 24 V 3 25 V 2 24 V 3 21 V 3 16 V 2 7 V 3 -4 V 2 -15 V 3 -23 V 2 -26 V 3 -25 V 2 -25 V 3 -22 V 3 -16 V 2 -12 V 3 -9 V 2 -4 V 3 1 V 2 4 V 3 7 V 3 8 V 2 8 V 3 4 V 2 -1 V 3 -2 V 2 -3 V 3 1 V 2 3 V 3 7 V 3 9 V 2 9 V 3 5 V 2 2 V 3 0 V 2 1 V 3 2 V 2 5 V 3 8 V 3 10 V 2 10 V 3 9 V 2 7 V 3 7 V 2 6 V 3 6 V 3 7 V 2 8 V 3 9 V 2 11 V 3 10 V 2 9 V 3 7 V 2 3 V 3 -1 V 3 -4 V 2 -9 V 3 -12 V 2 -18 V 3 -18 V 2 -17 V 3 -16 V 3 -14 V 2 -13 V 3 -11 V 2 -10 V 3 -9 V 2 -6 V 3 -4 V 2 -3 V 3 -2 V 3 -6 V 2 -9 V 3 -11 V 2 -13 V 3 -13 V 2 -12 V 3 -10 V 2 -6 V 3 -3 V 3 1 V 2 4 V 3 6 V 2 9 V 3 9 V 2 11 V 3 13 V 3 14 V 2 13 V 3 12 V 2 11 V 3 10 V 2 8 V 3 5 V 2 4 V 3 1 V 3 0 V 2 -2 V 3 -4 V 2 -2 V 3 -1 V 2 0 V 3 5 V 3 7 V 2 14 V 3 17 V 2 21 V 3 24 V 2 22 V 3 18 V 2 17 V 3 11 V 3 7 V 2 2 V 3 -2 V 2 -3 V 3 -5 V 2 -6 V 3 -7 V 2 -7 V 3 -7 V 3 -10 V 2 -10 V 3 -12 V 2 -13 V 3 -16 V 2 -19 V 3 -19 V 3 -20 V 2 -19 V 3 -20 V 2 -21 V 3 -21 V 2 -20 V 3 -20 V 2 -18 V 3 -15 V 3 -14 V 2 -11 V 3 -7 V 2 -4 V 3 2 V 2 4 V 3 8 V 3 14 V 2 14 V 3 17 V 2 18 V 3 18 V 2 19 V 3 19 V 2 16 V 3 14 V 3 13 V 2 10 V 3 9 V 2 7 V 3 3 V 2 2 V 3 0 V 2 -3 V 3 -4 V 3 -4 V 2 -5 V 3 -5 V 2 -3 V 3 -4 V 2 -2 V 3 -2 V 3 -1 V 2 -1 V 3 -2 V 2 -2 V 3 -3 V 2 -5 V 3 -5 V 2 -4 V 3 -4 V 3 -2 V 2 1 V 3 4 V 2 6 V 3 10 V 2 12 V 3 13 V 3 15 V 2 14 V currentpoint stroke M 3 14 V 2 9 V 3 9 V 2 7 V 3 2 V 2 2 V 3 1 V 3 -1 V 2 -1 V 3 -3 V 2 -4 V 3 -4 V 2 -6 V 3 -7 V 2 -8 V 3 -9 V 3 -12 V 2 -12 V 3 -13 V 2 -13 V 3 -13 V 2 -13 V 3 -12 V 3 -12 V 2 -11 V 3 -9 V 2 -8 V 3 -7 V 2 -6 V 3 -5 V 2 -5 V 3 -2 V 3 -1 V 2 0 V 3 1 V 2 3 V 3 3 V 2 3 V 3 4 V 3 4 V 2 3 V 3 2 V 2 1 V 3 2 V 2 0 V 3 1 V 2 1 V 3 1 V 3 2 V 2 1 V 3 2 V 2 1 V 3 1 V 2 2 V 3 2 V 2 2 V 3 3 V 3 3 V 2 4 V 3 4 V 2 4 V 3 4 V 2 4 V 3 4 V 3 3 V 2 3 V 3 3 V 2 2 V 3 2 V 2 2 V 3 2 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 2 V 3 1 V 2 2 V 3 2 V 2 1 V 3 2 V 2 2 V 3 2 V 2 2 V 3 2 V 3 2 V 2 0 V 3 0 V 2 -1 V 3 -1 V 2 -4 V 3 -4 V 2 -4 V 3 -4 V 3 -5 V 2 -5 V 3 -5 V 2 -5 V 3 -5 V 2 -5 V 3 -5 V 3 -5 V 2 -6 V 3 -5 V 2 -4 V 3 -4 V 2 -4 V 3 -2 V 2 -2 V 3 -1 V 3 0 V 2 0 V 3 1 V 2 1 V 3 1 V 2 2 V 3 2 V 2 1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 -3 V 3 -2 V 2 -3 V 3 -4 V 3 -4 V 2 -5 V 3 -4 V 2 -4 V 3 -5 V 2 -4 V 3 -3 V 2 1 V 3 0 V 3 0 V 2 2 V 3 3 V 2 3 V 3 2 V 2 2 V 3 2 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 2 V 3 2 V 3 2 V 2 1 V 3 2 V 2 1 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 3 2 V 2 1 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 0 V 3 1 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 -1 V 3 -2 V 2 -1 V 3 -2 V 2 -2 V 3 -2 V 2 -3 V 3 -2 V 2 -4 V 3 -3 V 3 -3 V 2 -3 V 3 -4 V 2 -3 V 3 -3 V 2 -3 V 3 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -1 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 -1 V 2 0 V 3 -1 V 2 -2 V 3 -2 V 2 -1 V 3 -2 V 2 -2 V 3 -3 V 3 -2 V 2 -2 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 3 1 V 2 2 V 3 1 V 2 1 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 3 2 V 2 1 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 3 2 V 2 1 V 3 1 V 2 2 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -3 V 3 -3 V 2 -3 V 3 -3 V 2 -3 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -1 V 3 -1 V 2 -1 V 3 0 V 2 -1 V 3 -1 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 -1 V 3 -1 V 2 -1 V 3 -1 V 2 0 V 3 -1 V 2 -1 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V currentpoint stroke M 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 -1 V 3 -1 V 2 0 V 3 -1 V 2 -1 V 3 0 V 3 -1 V 2 -1 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 -1 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V LT1 600 461 M 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 2 1 V 3 0 V 3 1 V 2 1 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 2 2 V 3 2 V 3 2 V 2 2 V 3 3 V 2 3 V 3 3 V 2 4 V 3 4 V 2 6 V 3 6 V 3 8 V 2 11 V 3 13 V 2 17 V 3 25 V 2 37 V 3 60 V 3 108 V 2 207 V 3 300 V 2 207 V 3 108 V 2 60 V 3 36 V 2 25 V 3 17 V 3 13 V 2 10 V 3 8 V 2 6 V 3 5 V 2 4 V 3 4 V 3 3 V 2 3 V 3 2 V 2 2 V 3 2 V 2 1 V 3 1 V 2 2 V 3 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V currentpoint stroke M 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V currentpoint stroke M 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V stroke grestore end showpage @endspecial 1690 2174 a Fy(E)20 b Fx(\(eV\))283 1127 y gsave currentpoint currentpoint translate 270 rotate neg exch neg exch translate 283 1127 a 163 1105 a Fy(f)218 1072 y Fw(00)260 1105 y Fx(\()p Fy(E)5 b Fx(\))283 1127 y currentpoint grestore moveto 283 1127 a 2693 2015 a FE(9800)-606 b(9600)f(9400)f(9200)i(9000)f(8800)486 384 y(4.5)486 555 y(4.0)486 728 y(3.5)486 900 y(3.0)486 1072 y(2.5)486 1244 y(2.0)486 1416 y(1.5)486 1588 y(1.0)486 1760 y(0.5)486 1932 y(0.0)150 2307 y(Figure)21 b(1:)28 b Fy(f)560 2274 y Fw(00)602 2307 y Fx(\()p Fy(E)5 b Fx(\))21 b FE(for)g(pure)h(Cu.)27 b(Sho)n(wn)20 b(are)i(the)f(bare-atom)h Fy(f)2205 2274 y Fw(00)2247 2307 y Fx(\()p Fy(E)5 b Fx(\))21 b FE(from)g(Cromer)n(-Liberman)i(\(dashed\))150 2420 y(and)34 b(the)g Fy(f)513 2387 y Fw(00)555 2420 y Fx(\()p Fy(E)5 b Fx(\))34 b FE(deri)n(v)o(ed)h(from)e(the)h(XAFS)d Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))34 b FE(\(solid\),)k(scaled)d(to)e (match)h(the)g(Cromer)n(-Liberman)150 2533 y Fy(f)205 2500 y Fw(00)247 2533 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(f)o(ar)f(from)h (resonance.)150 4694 y @beginspecial @setspecial gnudict begin gsave 50 50 translate 0.100 0.100 scale 0 setgray /Helvetica findfont 100 scalefont setfont newpath -500.000000 -500.000000 translate LTa LTb 600 251 M 63 0 V 2754 0 R -63 0 V 600 457 M 63 0 V 2754 0 R -63 0 V 600 664 M 63 0 V 2754 0 R -63 0 V 600 870 M 63 0 V 2754 0 R -63 0 V 600 1077 M 63 0 V 2754 0 R -63 0 V 600 1283 M 63 0 V 2754 0 R -63 0 V 600 1490 M 63 0 V 2754 0 R -63 0 V 600 1696 M 63 0 V 2754 0 R -63 0 V 600 1903 M 63 0 V 2754 0 R -63 0 V 600 2109 M 63 0 V 2754 0 R -63 0 V 600 251 M 0 63 V 0 1795 R 0 -63 V 1112 251 M 0 63 V 0 1795 R 0 -63 V 1624 251 M 0 63 V 0 1795 R 0 -63 V 2137 251 M 0 63 V 0 1795 R 0 -63 V 2649 251 M 0 63 V 0 1795 R 0 -63 V 3161 251 M 0 63 V 0 1795 R 0 -63 V 600 251 M 2817 0 V 0 1858 V -2817 0 V 600 251 L LT0 600 1383 M 3 -1 V 2 -1 V 3 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -2 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -2 V 3 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -2 V 3 -1 V 3 -2 V 2 -1 V 3 -2 V 2 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -2 V 3 -2 V 3 -1 V 2 -2 V 3 -2 V 2 -1 V 3 -2 V 2 -2 V 3 -2 V 2 -1 V 3 -2 V 3 -2 V 2 -2 V 3 -1 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -3 V 3 -2 V 3 -2 V 2 -2 V 3 -3 V 2 -2 V 3 -2 V 2 -3 V 3 -2 V 2 -2 V 3 -3 V 3 -2 V 2 -3 V 3 -2 V 2 -3 V 3 -3 V 2 -2 V 3 -3 V 2 -3 V 3 -3 V 3 -2 V 2 -3 V 3 -3 V 2 -3 V 3 -3 V 2 -3 V 3 -3 V 3 -3 V 2 -3 V 3 -3 V 2 -4 V 3 -3 V 2 -3 V 3 -4 V 2 -3 V 3 -4 V 3 -3 V 2 -4 V 3 -4 V 2 -3 V 3 -4 V 2 -4 V 3 -4 V 3 -4 V 2 -4 V 3 -5 V 2 -4 V 3 -5 V 2 -4 V 3 -5 V 2 -4 V 3 -5 V 3 -5 V 2 -5 V 3 -6 V 2 -5 V 3 -6 V 2 -5 V 3 -6 V 2 -6 V 3 -6 V 3 -7 V 2 -6 V 3 -7 V 2 -7 V 3 -8 V 2 -7 V 3 -8 V 3 -8 V 2 -9 V 3 -9 V 2 -10 V 3 -9 V 2 -11 V 3 -11 V 2 -12 V 3 -12 V 3 -13 V 2 -14 V 3 -16 V 2 -16 V 3 -19 V 2 -20 V 3 -23 V 2 -26 V 3 -32 V 3 -38 V 2 -50 V 3 -65 V 2 -46 V 3 30 V 2 63 V 3 38 V 3 4 V 2 -15 V 3 -41 V 2 -30 V 3 -8 V 2 -11 V 3 0 V 2 13 V 3 30 V 3 45 V 2 62 V 3 65 V 2 48 V 3 28 V 2 12 V 3 -2 V 3 -6 V 2 -3 V 3 15 V 2 29 V 3 43 V 2 40 V 3 26 V 2 17 V 3 8 V 3 2 V 2 1 V 3 -3 V 2 -8 V 3 -8 V 2 -5 V 3 -4 V 2 -3 V 3 -2 V 3 0 V 2 3 V 3 6 V 2 7 V 3 10 V 2 13 V 3 16 V 3 19 V 2 21 V 3 22 V 2 20 V 3 16 V 2 11 V 3 7 V 2 5 V 3 0 V 3 -2 V 2 -2 V 3 -3 V 2 -5 V 3 -3 V 2 -2 V 3 -1 V 3 1 V 2 3 V 3 5 V 2 4 V 3 3 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 2 V 2 3 V 3 5 V 2 4 V 3 3 V 2 2 V 3 1 V 2 0 V 3 1 V 3 1 V 2 3 V 3 5 V 2 5 V 3 4 V 2 5 V 3 4 V 3 4 V 2 5 V 3 5 V 2 6 V 3 8 V 2 9 V 3 11 V 2 12 V 3 12 V 3 12 V 2 12 V 3 11 V 2 9 V 3 6 V 2 5 V 3 2 V 3 2 V 2 1 V 3 0 V 2 0 V 3 -1 V 2 -1 V 3 -1 V 2 1 V 3 2 V 3 3 V 2 2 V 3 2 V 2 0 V 3 -2 V 2 -3 V 3 -6 V 2 -6 V 3 -7 V 3 -6 V 2 -7 V 3 -5 V 2 -5 V 3 -4 V 2 -3 V 3 -2 V 3 0 V 2 1 V 3 2 V 2 3 V 3 3 V 2 5 V 3 5 V 2 4 V 3 5 V 3 4 V 2 2 V 3 2 V 2 0 V 3 -1 V 2 -3 V 3 -3 V 3 -4 V 2 -3 V 3 -2 V 2 0 V 3 3 V 2 7 V 3 9 V 2 10 V 3 13 V 3 12 V 2 13 V 3 11 V 2 11 V 3 10 V 2 9 V 3 9 V 2 8 V 3 9 V 3 8 V 2 8 V 3 8 V 2 7 V 3 7 V 2 6 V 3 4 V 3 4 V 2 2 V 3 1 V 2 0 V 3 -1 V 2 -3 V 3 -4 V 2 -6 V 3 -7 V 3 -8 V 2 -10 V 3 -10 V 2 -11 V 3 -11 V 2 -9 V 3 -11 V 3 -8 V 2 -7 V 3 -5 V 2 -4 V 3 -2 V 2 0 V 3 1 V 2 4 V 3 4 V 3 5 V 2 5 V 3 6 V 2 7 V 3 7 V 2 6 V 3 6 V 2 6 V 3 4 V 3 4 V 2 3 V 3 2 V 2 2 V 3 1 V 2 1 V 3 1 V 3 2 V 2 1 V 3 2 V 2 1 V 3 2 V 2 1 V 3 -1 V 2 -1 V 3 -2 V 3 -3 V 2 -4 V 3 -3 V 2 -4 V 3 -3 V 2 -1 V 3 0 V 3 1 V 2 3 V currentpoint stroke M 3 5 V 2 6 V 3 6 V 2 8 V 3 8 V 2 7 V 3 7 V 3 6 V 2 7 V 3 7 V 2 6 V 3 6 V 2 6 V 3 6 V 2 6 V 3 6 V 3 4 V 2 4 V 3 3 V 2 2 V 3 1 V 2 1 V 3 -1 V 3 -1 V 2 -2 V 3 -2 V 2 -3 V 3 -3 V 2 -3 V 3 -3 V 2 -4 V 3 -4 V 3 -3 V 2 -4 V 3 -3 V 2 -3 V 3 -2 V 2 -2 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 2 V 3 1 V 3 1 V 2 2 V 3 2 V 2 2 V 3 1 V 2 2 V 3 2 V 2 2 V 3 2 V 3 1 V 2 2 V 3 1 V 2 2 V 3 1 V 2 1 V 3 2 V 3 1 V 2 2 V 3 2 V 2 2 V 3 1 V 2 3 V 3 2 V 2 2 V 3 3 V 3 3 V 2 4 V 3 3 V 2 4 V 3 4 V 2 3 V 3 3 V 2 3 V 3 3 V 3 2 V 2 2 V 3 2 V 2 1 V 3 2 V 2 1 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 0 V 3 -2 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 1 V 3 1 V 3 2 V 2 1 V 3 2 V 2 2 V 3 1 V 2 2 V 3 1 V 3 1 V 2 0 V 3 0 V 2 -1 V 3 -1 V 2 -1 V 3 -3 V 2 -2 V 3 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 -1 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 3 1 V 2 2 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 3 1 V 2 2 V 3 1 V 2 2 V 3 2 V 2 1 V 3 2 V 2 2 V 3 2 V 3 2 V 2 1 V 3 2 V 2 2 V 3 1 V 2 2 V 3 1 V 2 2 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 -1 V 2 -1 V 3 -2 V 3 -2 V 2 -1 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 0 V 2 1 V 3 2 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 0 V 3 1 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 3 2 V 2 1 V 3 2 V 2 1 V 3 2 V 2 2 V 3 1 V 3 2 V 2 1 V 3 2 V 2 2 V 3 1 V 2 1 V 3 1 V 2 2 V 3 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V currentpoint stroke M 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V LT1 600 1385 M 3 -1 V 2 -1 V 3 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -2 V 2 -1 V 3 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -2 V 3 -1 V 3 -2 V 2 -1 V 3 -2 V 2 -1 V 3 -2 V 2 -2 V 3 -1 V 2 -2 V 3 -1 V 3 -2 V 2 -2 V 3 -2 V 2 -1 V 3 -2 V 2 -2 V 3 -1 V 2 -2 V 3 -2 V 3 -2 V 2 -2 V 3 -1 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -3 V 3 -2 V 2 -2 V 3 -2 V 3 -2 V 2 -3 V 3 -2 V 2 -2 V 3 -3 V 2 -2 V 3 -3 V 2 -2 V 3 -3 V 3 -2 V 2 -3 V 3 -2 V 2 -3 V 3 -2 V 2 -3 V 3 -3 V 2 -3 V 3 -2 V 3 -3 V 2 -3 V 3 -3 V 2 -3 V 3 -3 V 2 -3 V 3 -3 V 3 -3 V 2 -3 V 3 -4 V 2 -3 V 3 -3 V 2 -4 V 3 -3 V 2 -4 V 3 -3 V 3 -4 V 2 -4 V 3 -3 V 2 -4 V 3 -4 V 2 -4 V 3 -4 V 3 -4 V 2 -4 V 3 -5 V 2 -4 V 3 -5 V 2 -4 V 3 -5 V 2 -5 V 3 -5 V 3 -5 V 2 -5 V 3 -5 V 2 -5 V 3 -6 V 2 -6 V 3 -5 V 2 -6 V 3 -7 V 3 -6 V 2 -6 V 3 -7 V 2 -7 V 3 -7 V 2 -8 V 3 -8 V 3 -8 V 2 -8 V 3 -9 V 2 -9 V 3 -9 V 2 -10 V 3 -10 V 2 -11 V 3 -11 V 3 -12 V 2 -13 V 3 -13 V 2 -15 V 3 -15 V 2 -17 V 3 -17 V 2 -20 V 3 -21 V 3 -23 V 2 -26 V 3 -29 V 2 -34 V 3 -38 V 2 -46 V 3 -55 V 3 -66 V 2 -68 V 3 -29 V 2 49 V 3 73 V 2 63 V 3 52 V 2 44 V 3 37 V 3 32 V 2 29 V 3 25 V 2 23 V 3 21 V 2 19 V 3 18 V 3 16 V 2 15 V 3 15 V 2 13 V 3 13 V 2 12 V 3 12 V 2 11 V 3 10 V 3 10 V 2 10 V 3 9 V 2 9 V 3 9 V 2 8 V 3 8 V 2 8 V 3 7 V 3 8 V 2 7 V 3 7 V 2 6 V 3 7 V 2 6 V 3 6 V 3 6 V 2 6 V 3 6 V 2 5 V 3 6 V 2 5 V 3 5 V 2 5 V 3 5 V 3 5 V 2 5 V 3 4 V 2 5 V 3 5 V 2 4 V 3 4 V 3 5 V 2 4 V 3 4 V 2 4 V 3 4 V 2 4 V 3 4 V 2 3 V 3 4 V 3 4 V 2 3 V 3 4 V 2 4 V 3 3 V 2 3 V 3 4 V 2 3 V 3 3 V 3 4 V 2 3 V 3 3 V 2 3 V 3 3 V 2 3 V 3 3 V 3 3 V 2 3 V 3 3 V 2 3 V 3 3 V 2 2 V 3 3 V 2 3 V 3 3 V 3 2 V 2 3 V 3 2 V 2 3 V 3 3 V 2 2 V 3 3 V 3 2 V 2 2 V 3 3 V 2 2 V 3 3 V 2 2 V 3 2 V 2 3 V 3 2 V 3 2 V 2 2 V 3 3 V 2 2 V 3 2 V 2 2 V 3 2 V 2 3 V 3 2 V 3 2 V 2 2 V 3 2 V 2 2 V 3 2 V 2 2 V 3 2 V 3 2 V 2 2 V 3 2 V 2 2 V 3 2 V 2 1 V 3 2 V 2 2 V 3 2 V 3 2 V 2 2 V 3 2 V 2 1 V 3 2 V 2 2 V 3 2 V 3 1 V 2 2 V 3 2 V 2 2 V 3 1 V 2 2 V 3 2 V 2 1 V 3 2 V 3 2 V 2 1 V 3 2 V 2 1 V 3 2 V 2 2 V 3 1 V 2 2 V 3 1 V 3 2 V 2 1 V 3 2 V 2 2 V 3 1 V 2 2 V 3 1 V 3 2 V 2 1 V 3 1 V 2 2 V 3 1 V 2 2 V 3 1 V 2 2 V 3 1 V 3 1 V 2 2 V 3 1 V 2 2 V 3 1 V 2 1 V 3 2 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 2 2 V 3 1 V 2 1 V 3 2 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 2 1 V 3 2 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 2 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 2 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V currentpoint stroke M 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 2 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 0 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 2 1 V 3 0 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -2 V 2 -1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V currentpoint stroke M 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V stroke grestore end showpage @endspecial 1690 4758 a Fy(E)c Fx(\(eV\))283 3711 y gsave currentpoint currentpoint translate 270 rotate neg exch neg exch translate 283 3711 a 173 3688 a Fy(f)228 3655 y Fw(0)251 3688 y Fx(\()p Fy(E)5 b Fx(\))283 3711 y currentpoint grestore moveto 283 3711 a 2693 4598 a FE(9800)-606 b(9600)f(9400)f(9200)i(9000)559 4599 y(8800)486 2967 y(0.0)456 3139 y(-1.0)456 3311 y(-2.0)456 3483 y(-3.0)456 3655 y(-4.0)456 3827 y(-5.0)456 3999 y(-6.0)456 4171 y(-7.0)456 4344 y(-8.0)456 4515 y(-9.0)150 4890 y(Figure)37 b(2:)55 b Fy(f)603 4857 y Fw(0)626 4890 y Fx(\()p Fy(E)5 b Fx(\))37 b FE(for)g(pure)g(Cu.)67 b(Sho)n(wn)36 b(are)h(the)g(the)g (bare-atom)h Fy(f)2526 4857 y Fw(0)2549 4890 y Fx(\()p Fy(E)5 b Fx(\))37 b FE(from)f(Cromer)n(-Liberman)150 5003 y(\(dashed\))31 b(and)f(the)g Fy(f)846 4970 y Fw(0)868 5003 y Fx(\()p Fy(E)5 b Fx(\))30 b FE(resulting)i(from)d(the)g(dif)n (ference)j(Kramers-Kr)8 b(\250)-38 b(onig)31 b(transform)g(\(solid\))g (using)150 5116 y(the)24 b(tw)o(o)f Fy(f)497 5083 y Fw(00)539 5116 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(curv)o(es)g(from)g(Figure)g(1.)p eop %%Page: 12 14 12 13 bop 150 -71 a FD(4.2)92 b(Example)23 b(2:)29 b(using)23 b Fa(xmu.dat)c FD(fr)n(om)26 b FA(F)t(E)t(FF)1945 b FC(12)p 150 -33 3749 5 v 291 266 a FE(The)32 b Fz(F)t(E)t(FF)i FE(calculation)f(here)d(is)g(for)g(the)g(Cu\(1\))g(site)g(in)g Fx(YBa)2321 280 y Fs(2)2361 266 y Fx(Cu)2478 280 y Fs(3)2517 266 y Fx(O)2588 280 y Fs(6)p Fl(:)p Fs(68)2717 266 y FE(.)47 b(It')-5 b(s)30 b(not)h(crucial)g(for)f(the)150 379 y(demonstration)22 b(here,)e(b)n(ut)g(the)f(calculation)j(included) f(78)e(scattering)i(paths)f(out)f(to)g(7)2872 365 y(\011)2854 379 y(A.)f(More)h(importantly)150 492 y(for)h(this)h(application,)26 b Fz(F)t(E)t(FF)r FE(7)c(needed)g(the)e Fq(XANES)d FE(card)k(set)f(for) g(it)g(to)g(generate)i(the)f(full)f Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))20 b FE(\(otherwise)150 605 y(it)k(calculates)j(the)e (\002ne-structure)i Fy(\037)c FE(without)i(the)g(atomic-lik)o(e)i (background\).)34 b(The)24 b Fv(feff.inp)c FE(used)25 b(to)150 718 y(generate)h(this)e Fv(xmu.dat)19 b FE(is)24 b(a)n(v)n(ailable)h(at)f(the)i Fz(D)t(I)t(FF)t(K)t(K)g FE(web)e(site.)291 831 y(T)-7 b(o)25 b(generate)j Fy(f)798 798 y Fw(0)821 831 y Fx(\()p Fy(E)5 b Fx(\))26 b FE(and)h Fy(f)1201 798 y Fw(00)1243 831 y Fx(\()p Fy(E)5 b Fx(\))p FE(,)26 b(this)h Fv(diffkk.inp)21 b FE(\(which)26 b(is)g(called)i Fv(dk-feff.inp)20 b FE(in)26 b(the)150 943 y(distrib)n(ution\))h(w)o (as)d(used:)p 466 1046 3102 4 v 466 2891 4 1846 v 516 1149 a Fq(\045--------------)o(--)o(---)o(--)o(--)o(-\045)625 1262 y(title)107 b(=)54 b(Cu\(1\))e(of)i(YBCO)789 1375 y(out)f(=)h(feff.fpp)324 b(\045)54 b(output)e(file)g(name)789 1488 y(xmu)h(=)h(xmu.dat)379 b(\045)54 b(xmu)f(file)g(name)625 1601 y(isfeff)f(=)i(true)544 b(\045)54 b(is)g(the)f(a)h(feff)f (xmu.dat?)680 1714 y(encol)f(=)218 b(1)545 b(\045)54 b(energy)e(column)680 1826 y(mucol)g(=)218 b(4)545 b(\045)54 b(mu\(E\))e(column)843 1939 y(iz)i(=)163 b(29)545 b(\045)54 b(Z)g(of)g(central)d(atom)843 2052 y(e0)j(=)163 b(8986.0700)d(\045)54 b(edge)f(energy)680 2165 y(egrid)f(=)327 b(1.0000)161 b(\045)54 b(energy)e(grid)625 2278 y(ewidth)g(=)327 b(1.5000)161 b(\045)54 b(for)f(broadening)d(CL)k(data)734 2391 y(elow)f(=)218 b(200.0000)160 b(\045)54 b(\\)g(how)f(far)g(below)g(and)g(above)680 2504 y(ehigh)f(=)218 b(500.0000)160 b(\045)54 b(/)g(the)f(data)g(range) f(to)i(go)734 2617 y(epad)f(=)327 b(5.0000)161 b(\045)54 b(\\)g(energy)e(grid)h(&)h(#)g(of)f(points)734 2730 y(npad)g(=)163 b(20)545 b(\045)54 b(/)g(for)f(pre-padding)d(feff)i(mu\(E\))516 2843 y(\045--------------)o(--)o(---)o(--)o(--)o(-\045)p 3563 2891 V 466 2894 3102 4 v 3565 2928 35 1852 v 499 2928 3102 35 v 150 3115 a FE(Running)39 b Fz(D)t(I)t(FF)t(K)t(K)h FE(with)c(these)h(settings)h(produced)g(the)e(\002le)g Fv(feff.fpp)p FE(.)62 b(Figure)36 b(3)g(sho)n(ws)g Fy(f)3415 3082 y Fw(00)3457 3115 y Fx(\()p Fy(E)5 b Fx(\))150 3228 y FE(deri)n(v)o(ed)26 b(from)i Fz(F)t(E)t(FF)r FE(')-5 b(s)28 b Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))p FE(,)25 b(and)h(Figure)g(4) f(sho)n(ws)g(the)h Fy(f)2082 3195 y Fw(0)2104 3228 y Fx(\()p Fy(E)5 b Fx(\))26 b FE(from)f(the)h(dif)n(ference)h(Kramers-Kr) 8 b(\250)-38 b(onig)150 3341 y(transform)32 b(of)e Fy(f)693 3308 y Fw(00)734 3341 y Fx(\()p Fy(E)5 b Fx(\))p FE(.)48 b(The)30 b(bare-atom)i Fy(f)1571 3308 y Fw(00)1612 3341 y Fx(\()p Fy(E)5 b Fx(\))31 b FE(and)f Fy(f)2000 3308 y Fw(0)2023 3341 y Fx(\()p Fy(E)5 b Fx(\))30 b FE(from)g(Cromer)n (-Liberman)i(are)e(sho)n(wn)g(for)150 3454 y(comparison.)p eop %%Page: 13 15 13 14 bop 150 -71 a FD(4.2)92 b(Example)23 b(2:)29 b(using)23 b Fa(xmu.dat)c FD(fr)n(om)26 b FA(F)t(E)t(FF)1945 b FC(13)p 150 -33 3749 5 v 150 2084 a @beginspecial @setspecial gnudict begin gsave 50 50 translate 0.100 0.100 scale 0 setgray /Helvetica findfont 100 scalefont setfont newpath -500.000000 -500.000000 translate LTa 600 251 M 2817 0 V LTb 600 251 M 63 0 V 2754 0 R -63 0 V 600 457 M 63 0 V 2754 0 R -63 0 V 600 664 M 63 0 V 2754 0 R -63 0 V 600 870 M 63 0 V 2754 0 R -63 0 V 600 1077 M 63 0 V 2754 0 R -63 0 V 600 1283 M 63 0 V 2754 0 R -63 0 V 600 1490 M 63 0 V 2754 0 R -63 0 V 600 1696 M 63 0 V 2754 0 R -63 0 V 600 1903 M 63 0 V 2754 0 R -63 0 V 600 2109 M 63 0 V 2754 0 R -63 0 V 600 251 M 0 63 V 0 1795 R 0 -63 V 1112 251 M 0 63 V 0 1795 R 0 -63 V 1624 251 M 0 63 V 0 1795 R 0 -63 V 2137 251 M 0 63 V 0 1795 R 0 -63 V 2649 251 M 0 63 V 0 1795 R 0 -63 V 3161 251 M 0 63 V 0 1795 R 0 -63 V 600 251 M 2817 0 V 0 1858 V -2817 0 V 600 251 L LT0 600 461 M 2 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 2 V 3 1 V 2 1 V 3 2 V 2 1 V 3 5 V 2 6 V 3 6 V 3 7 V 2 8 V 3 8 V 2 10 V 3 14 V 2 25 V 3 54 V 2 88 V 3 93 V 3 80 V 2 76 V 3 102 V 2 156 V 3 152 V 2 59 V 3 156 V 2 99 V 3 36 V 3 -9 V 2 -21 V 3 -4 V 2 23 V 3 48 V 2 63 V 3 61 V 3 46 V 2 24 V 3 7 V 2 0 V 3 -6 V 2 -10 V 3 -16 V 2 -22 V 3 -27 V 3 -31 V 2 -33 V 3 -33 V 2 -30 V 3 -26 V 2 -22 V 3 -17 V 3 -13 V 2 -9 V 3 -7 V 2 -5 V 3 -4 V 2 -2 V 3 -2 V 2 -1 V 3 0 V 3 2 V 2 5 V 3 7 V 2 10 V 3 12 V 2 15 V 3 16 V 2 18 V 3 17 V 3 16 V 2 15 V 3 14 V 2 10 V 3 9 V 2 6 V 3 3 V 3 0 V 2 -1 V 3 -3 V 2 -5 V 3 -5 V 2 -7 V 3 -6 V 2 -7 V 3 -6 V 3 -5 V 2 -4 V 3 -2 V 2 0 V 3 1 V 2 4 V 3 6 V 3 7 V 2 8 V 3 10 V 2 10 V 3 10 V 2 10 V 3 9 V 2 7 V 3 6 V 3 4 V 2 3 V 3 0 V 2 -1 V 3 -4 V 2 -5 V 3 -7 V 2 -8 V 3 -9 V 3 -10 V 2 -10 V 3 -12 V 2 -12 V 3 -12 V 2 -12 V 3 -12 V 3 -12 V 2 -11 V 3 -10 V 2 -9 V 3 -8 V 2 -5 V 3 -4 V 2 -2 V 3 0 V 3 2 V 2 4 V 3 6 V 2 8 V 3 8 V 2 9 V 3 9 V 3 10 V 2 9 V 3 8 V 2 8 V 3 6 V 2 5 V 3 3 V 2 3 V 3 1 V 3 0 V 2 0 V 3 -2 V 2 -1 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 3 -2 V 3 -1 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -1 V 2 -1 V 3 0 V 3 0 V 2 2 V 3 2 V 2 3 V 3 4 V 2 5 V 3 6 V 2 6 V 3 6 V 3 7 V 2 6 V 3 7 V 2 5 V 3 5 V 2 4 V 3 4 V 3 2 V 2 1 V 3 0 V 2 -1 V 3 -2 V 2 -2 V 3 -3 V 2 -3 V 3 -4 V 3 -4 V 2 -4 V 3 -3 V 2 -3 V 3 -3 V 2 -3 V 3 -2 V 3 -2 V 2 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -3 V 3 -2 V 2 -1 V 3 -2 V 3 -1 V 2 0 V 3 1 V 2 1 V 3 1 V 2 2 V 3 3 V 3 3 V 2 3 V 3 3 V 2 4 V 3 3 V 2 4 V 3 3 V 2 2 V 3 2 V 3 2 V 2 0 V 3 0 V 2 0 V 3 -2 V 2 -2 V 3 -3 V 3 -3 V 2 -4 V currentpoint stroke M 3 -4 V 2 -4 V 3 -4 V 2 -5 V 3 -4 V 2 -3 V 3 -4 V 3 -2 V 2 -3 V 3 -2 V 2 -1 V 3 -1 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 -1 V 2 0 V 3 -2 V 2 -1 V 3 -2 V 2 -1 V 3 -2 V 2 -1 V 3 -2 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 1 V 2 0 V 3 2 V 3 1 V 2 2 V 3 2 V 2 3 V 3 2 V 2 3 V 3 2 V 2 3 V 3 2 V 3 2 V 2 2 V 3 1 V 2 0 V 3 1 V 2 0 V 3 -1 V 2 -2 V 3 -1 V 3 -2 V 2 -3 V 3 -3 V 2 -3 V 3 -3 V 2 -4 V 3 -3 V 3 -3 V 2 -3 V 3 -3 V 2 -3 V 3 -2 V 2 -2 V 3 -2 V 2 -1 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 -1 V 2 0 V 3 -1 V 2 -1 V 3 -1 V 3 -2 V 2 -1 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -1 V 3 -2 V 3 -1 V 2 -1 V 3 -1 V 2 0 V 3 0 V 2 1 V 3 1 V 3 1 V 2 2 V 3 1 V 2 2 V 3 3 V 2 2 V 3 3 V 2 2 V 3 3 V 3 2 V 2 2 V 3 2 V 2 2 V 3 2 V 2 1 V 3 1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 -2 V 3 -1 V 2 -2 V 3 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -1 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 -1 V 2 -1 V 3 -1 V 3 0 V 2 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 3 0 V 2 -1 V 3 0 V 3 -1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 2 V 2 2 V 3 2 V 2 2 V 3 2 V 2 2 V 3 2 V 3 2 V 2 2 V 3 2 V 2 1 V 3 2 V 2 1 V 3 1 V 2 1 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -2 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 3 0 V 3 -1 V 2 -1 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 -1 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 -1 V 2 -1 V 3 0 V 2 -1 V 3 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 3 -1 V 2 0 V 3 -1 V 3 -1 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 1 V 2 1 V 3 1 V 2 2 V 3 1 V 2 1 V 3 2 V 3 2 V 2 1 V 3 2 V 2 1 V 3 2 V 2 1 V 3 1 V 3 2 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 -1 V 3 0 V 2 -1 V 3 -1 V 3 -2 V 2 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -2 V 3 -2 V 2 -1 V 3 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 3 -1 V 3 -1 V 2 -1 V 3 0 V 2 -1 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 -1 V 3 0 V 2 -1 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 -1 V 2 -1 V 3 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 3 -1 V 3 -1 V 2 -1 V 3 -1 V 2 0 V 3 -1 V 2 -1 V 3 0 V 2 -1 V currentpoint stroke M 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 -1 V 3 0 V 2 -1 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 -1 V 2 -1 V 3 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 -1 V 1 0 V LT1 600 461 M 2 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 2 V 2 1 V 3 2 V 3 2 V 2 2 V 3 2 V 2 3 V 3 3 V 2 3 V 3 4 V 3 4 V 2 6 V 3 6 V 2 8 V 3 10 V 2 14 V 3 17 V 2 25 V 3 37 V 3 60 V 2 108 V 3 207 V 2 300 V 3 208 V 2 107 V 3 60 V 2 37 V 3 24 V 3 18 V 2 12 V 3 10 V 2 8 V 3 6 V 2 5 V 3 5 V 3 3 V 2 3 V 3 3 V 2 2 V 3 2 V 2 2 V 3 1 V 2 2 V 3 1 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V currentpoint stroke M 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V currentpoint stroke M 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 1 0 V stroke grestore end showpage @endspecial 1690 2148 a Fy(E)20 b Fx(\(eV\))283 1101 y gsave currentpoint currentpoint translate 270 rotate neg exch neg exch translate 283 1101 a 163 1078 a Fy(f)218 1045 y Fw(00)260 1078 y Fx(\()p Fy(E)5 b Fx(\))283 1101 y currentpoint grestore moveto 283 1101 a 2693 1988 a FE(9800)-606 b(9600)f(9400)f(9200)i(9000)559 1989 y(8800)486 357 y(4.5)486 529 y(4.0)486 701 y(3.5)486 873 y(3.0)486 1045 y(2.5)486 1217 y(2.0)486 1390 y(1.5)486 1561 y(1.0)486 1734 y(0.5)486 1905 y(0.0)150 2280 y(Figure)29 b(3:)40 b Fy(f)580 2247 y Fw(00)621 2280 y Fx(\()p Fy(E)5 b Fx(\))29 b FE(for)g(the)g(Cu\(1\))g(site)g(of)g Fx(YBa)1740 2294 y Fs(2)1781 2280 y Fx(Cu)1898 2294 y Fs(3)1936 2280 y Fx(O)2007 2294 y Fs(6)p Fl(:)p Fs(68)2136 2280 y FE(.)44 b(Sho)n(wn)28 b(are)h(the)g(bare-atom)i Fy(f)3211 2247 y Fw(00)3252 2280 y Fx(\()p Fy(E)5 b Fx(\))29 b FE(from)150 2393 y(Cromer)n(-Liberman)i(\(dashed\))h(and)d(the)h Fy(f)1534 2360 y Fw(00)1576 2393 y Fx(\()p Fy(E)5 b Fx(\))29 b FE(deri)n(v)o(ed)i(from)e(the)h Fy(\026)p Fx(\()p Fy(E)5 b Fx(\))29 b FE(calculated)j(by)f Fz(F)t(E)t(FF)j FE(\(solid\).)150 2506 y(As)28 b(for)h(the)g(e)o(xperimental)i(data,)f(the)h Fz(F)t(E)t(FF)i FE(calculation)f(w)o(as)d(scaled)h(to)e(match)h(the)g (Cromer)n(-Liberman)150 2619 y Fy(f)205 2586 y Fw(00)247 2619 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(f)o(ar)f(from)h(resonance.)150 4727 y @beginspecial @setspecial gnudict begin gsave 50 50 translate 0.100 0.100 scale 0 setgray /Helvetica findfont 100 scalefont setfont newpath -500.000000 -500.000000 translate LTa LTb 600 251 M 63 0 V 2754 0 R -63 0 V 600 457 M 63 0 V 2754 0 R -63 0 V 600 664 M 63 0 V 2754 0 R -63 0 V 600 870 M 63 0 V 2754 0 R -63 0 V 600 1077 M 63 0 V 2754 0 R -63 0 V 600 1283 M 63 0 V 2754 0 R -63 0 V 600 1490 M 63 0 V 2754 0 R -63 0 V 600 1696 M 63 0 V 2754 0 R -63 0 V 600 1903 M 63 0 V 2754 0 R -63 0 V 600 2109 M 63 0 V 2754 0 R -63 0 V 600 251 M 0 63 V 0 1795 R 0 -63 V 1112 251 M 0 63 V 0 1795 R 0 -63 V 1624 251 M 0 63 V 0 1795 R 0 -63 V 2137 251 M 0 63 V 0 1795 R 0 -63 V 2649 251 M 0 63 V 0 1795 R 0 -63 V 3161 251 M 0 63 V 0 1795 R 0 -63 V 600 251 M 2817 0 V 0 1858 V -2817 0 V 600 251 L LT0 600 1383 M 2 -1 V 2 -1 V 3 -1 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -2 V 3 -1 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -2 V 3 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -2 V 3 -2 V 2 -1 V 3 -2 V 2 -2 V 3 -1 V 3 -2 V 2 -2 V 3 -2 V 2 -1 V 3 -2 V 2 -2 V 3 -2 V 2 -1 V 3 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -3 V 3 -2 V 2 -3 V 3 -2 V 2 -3 V 3 -2 V 2 -2 V 3 -3 V 3 -2 V 2 -2 V 3 -3 V 2 -2 V 3 -3 V 2 -2 V 3 -3 V 2 -2 V 3 -3 V 3 -2 V 2 -3 V 3 -2 V 2 -3 V 3 -2 V 2 -3 V 3 -3 V 2 -2 V 3 -3 V 3 -3 V 2 -3 V 3 -3 V 2 -2 V 3 -3 V 2 -3 V 3 -3 V 3 -3 V 2 -4 V 3 -2 V 2 -4 V 3 -3 V 2 -3 V 3 -3 V 2 -4 V 3 -3 V 3 -4 V 2 -3 V 3 -4 V 2 -3 V 3 -4 V 2 -4 V 3 -4 V 3 -4 V 2 -4 V 3 -4 V 2 -4 V 3 -4 V 2 -5 V 3 -4 V 2 -5 V 3 -4 V 3 -6 V 2 -4 V 3 -5 V 2 -5 V 3 -6 V 2 -5 V 3 -6 V 2 -5 V 3 -7 V 3 -5 V 2 -7 V 3 -6 V 2 -7 V 3 -6 V 2 -8 V 3 -7 V 3 -8 V 2 -8 V 3 -9 V 2 -8 V 3 -10 V 2 -9 V 3 -11 V 2 -9 V 3 -13 V 3 -11 V 2 -13 V 3 -13 V 2 -17 V 3 -15 V 2 -19 V 3 -17 V 3 -20 V 2 -20 V 3 -26 V 2 -26 V 3 -35 V 2 -39 V 3 -49 V 2 -37 V 3 -27 V 3 -15 V 2 -27 V 3 -5 V 2 12 V 3 36 V 2 10 V 3 8 V 2 66 V 3 52 V 3 48 V 2 19 V 3 8 V 2 -3 V 3 5 V 2 12 V 3 28 V 3 34 V 2 40 V 3 34 V 2 33 V 3 28 V 2 29 V 3 26 V 2 25 V 3 20 V 3 18 V 2 12 V 3 10 V 2 4 V 3 3 V 2 0 V 3 -1 V 3 -2 V 2 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 3 -3 V 3 -2 V 2 -3 V 3 -2 V 2 -3 V 3 -1 V 2 -1 V 3 2 V 2 2 V 3 5 V 3 5 V 2 7 V 3 8 V 2 9 V 3 9 V 2 10 V 3 10 V 3 9 V 2 9 V 3 8 V 2 7 V 3 7 V 2 5 V 3 5 V 2 3 V 3 3 V 3 2 V 2 1 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 1 V 2 2 V 3 2 V 2 3 V 3 5 V 2 5 V 3 7 V 2 7 V 3 8 V 3 8 V 2 9 V 3 9 V 2 9 V 3 8 V 2 8 V 3 8 V 2 7 V 3 6 V 3 6 V 2 5 V 3 5 V 2 3 V 3 3 V 2 2 V 3 1 V 3 0 V 2 0 V 3 -2 V 2 -2 V 3 -3 V 2 -3 V 3 -4 V 2 -4 V 3 -4 V 3 -4 V 2 -4 V 3 -2 V 2 -3 V 3 -1 V 2 -1 V 3 1 V 3 1 V 2 2 V 3 3 V 2 3 V 3 4 V 2 5 V 3 4 V 2 5 V 3 4 V 3 4 V 2 4 V 3 4 V 2 3 V 3 3 V 2 3 V 3 2 V 2 2 V 3 2 V 3 2 V 2 2 V 3 2 V 2 2 V 3 1 V 2 2 V 3 2 V 3 1 V 2 2 V 3 1 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 -1 V 3 0 V 2 -1 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 1 V 2 1 V 3 1 V 3 2 V 2 2 V 3 3 V 2 3 V 3 4 V 2 4 V 3 5 V 3 5 V 2 4 V 3 5 V 2 5 V 3 4 V 2 4 V 3 3 V 2 4 V 3 3 V 3 2 V 2 2 V 3 2 V 2 2 V 3 2 V 2 1 V 3 1 V 3 1 V 2 2 V 3 1 V 2 1 V 3 1 V 2 2 V 3 1 V 2 2 V 3 1 V 3 2 V 2 1 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 2 V 3 2 V 2 2 V 3 2 V 2 3 V 3 3 V 3 3 V 2 3 V 3 4 V 2 3 V 3 3 V 2 4 V 3 2 V 3 3 V 2 3 V currentpoint stroke M 3 2 V 2 1 V 3 2 V 2 1 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 2 2 V 3 2 V 3 2 V 2 2 V 3 2 V 2 3 V 3 2 V 2 2 V 3 3 V 2 2 V 3 3 V 3 2 V 2 2 V 3 2 V 2 2 V 3 1 V 2 1 V 3 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 -1 V 2 0 V 3 -1 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 2 V 3 2 V 2 1 V 3 2 V 3 2 V 2 2 V 3 2 V 2 2 V 3 1 V 2 2 V 3 2 V 2 1 V 3 2 V 3 1 V 2 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 2 V 2 1 V 3 2 V 2 1 V 3 2 V 3 1 V 2 2 V 3 2 V 2 1 V 3 2 V 2 1 V 3 2 V 3 1 V 2 1 V 3 1 V 2 2 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 -1 V 2 -1 V 3 -1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 -1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 3 1 V 2 2 V 3 1 V 2 1 V 3 1 V 2 2 V 3 1 V 2 2 V 3 1 V 3 1 V 2 2 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 2 V 3 0 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V currentpoint stroke M 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 1 0 V LT1 600 1385 M 2 -1 V 2 -1 V 3 -1 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -2 V 3 -1 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -2 V 3 -1 V 2 -1 V 3 -2 V 3 -1 V 2 -1 V 3 -2 V 2 -1 V 3 -2 V 2 -1 V 3 -1 V 2 -2 V 3 -1 V 3 -2 V 2 -1 V 3 -2 V 2 -1 V 3 -2 V 2 -1 V 3 -2 V 3 -1 V 2 -2 V 3 -1 V 2 -2 V 3 -2 V 2 -1 V 3 -2 V 2 -1 V 3 -2 V 3 -2 V 2 -1 V 3 -2 V 2 -2 V 3 -2 V 2 -1 V 3 -2 V 2 -2 V 3 -2 V 3 -1 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -1 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -2 V 3 -2 V 2 -3 V 3 -2 V 2 -2 V 3 -2 V 2 -2 V 3 -3 V 3 -2 V 2 -2 V 3 -2 V 2 -3 V 3 -2 V 2 -2 V 3 -3 V 2 -2 V 3 -3 V 3 -2 V 2 -3 V 3 -2 V 2 -3 V 3 -3 V 2 -2 V 3 -3 V 2 -3 V 3 -3 V 3 -2 V 2 -3 V 3 -3 V 2 -3 V 3 -3 V 2 -3 V 3 -3 V 3 -3 V 2 -3 V 3 -4 V 2 -3 V 3 -3 V 2 -4 V 3 -3 V 2 -4 V 3 -3 V 3 -4 V 2 -3 V 3 -4 V 2 -4 V 3 -4 V 2 -4 V 3 -4 V 3 -4 V 2 -4 V 3 -4 V 2 -5 V 3 -4 V 2 -5 V 3 -4 V 2 -5 V 3 -5 V 3 -5 V 2 -5 V 3 -5 V 2 -6 V 3 -5 V 2 -6 V 3 -5 V 2 -6 V 3 -6 V 3 -7 V 2 -6 V 3 -7 V 2 -7 V 3 -7 V 2 -7 V 3 -8 V 3 -8 V 2 -8 V 3 -9 V 2 -8 V 3 -10 V 2 -9 V 3 -10 V 2 -11 V 3 -11 V 3 -12 V 2 -12 V 3 -14 V 2 -14 V 3 -15 V 2 -16 V 3 -17 V 3 -19 V 2 -20 V 3 -22 V 2 -25 V 3 -28 V 2 -32 V 3 -37 V 2 -43 V 3 -53 V 3 -63 V 2 -74 V 3 -50 V 2 32 V 3 69 V 2 67 V 3 55 V 2 47 V 3 39 V 3 34 V 2 30 V 3 26 V 2 24 V 3 22 V 2 19 V 3 19 V 3 16 V 2 16 V 3 15 V 2 14 V 3 13 V 2 12 V 3 12 V 2 11 V 3 11 V 3 10 V 2 10 V 3 10 V 2 9 V 3 8 V 2 9 V 3 8 V 3 8 V 2 7 V 3 8 V 2 7 V 3 7 V 2 6 V 3 7 V 2 6 V 3 7 V 3 6 V 2 5 V 3 6 V 2 6 V 3 5 V 2 6 V 3 5 V 2 5 V 3 5 V 3 5 V 2 5 V 3 4 V 2 5 V 3 5 V 2 4 V 3 4 V 3 5 V 2 4 V 3 4 V 2 4 V 3 4 V 2 4 V 3 4 V 2 4 V 3 4 V 3 3 V 2 4 V 3 4 V 2 3 V 3 4 V 2 3 V 3 3 V 3 4 V 2 3 V 3 3 V 2 3 V 3 4 V 2 3 V 3 3 V 2 3 V 3 3 V 3 3 V 2 3 V 3 3 V 2 3 V 3 2 V 2 3 V 3 3 V 2 3 V 3 2 V 3 3 V 2 3 V 3 2 V 2 3 V 3 2 V 2 3 V 3 3 V 3 2 V 2 2 V 3 3 V 2 2 V 3 3 V 2 2 V 3 2 V 2 3 V 3 2 V 3 2 V 2 3 V 3 2 V 2 2 V 3 2 V 2 2 V 3 2 V 3 3 V 2 2 V 3 2 V 2 2 V 3 2 V 2 2 V 3 2 V 2 2 V 3 2 V 3 2 V 2 2 V 3 2 V 2 2 V 3 2 V 2 2 V 3 2 V 2 1 V 3 2 V 3 2 V 2 2 V 3 2 V 2 2 V 3 1 V 2 2 V 3 2 V 3 2 V 2 1 V 3 2 V 2 2 V 3 2 V 2 1 V 3 2 V 2 2 V 3 1 V 3 2 V 2 2 V 3 1 V 2 2 V 3 1 V 2 2 V 3 2 V 2 1 V 3 2 V 3 1 V 2 2 V 3 1 V 2 2 V 3 1 V 2 2 V 3 1 V 3 2 V 2 1 V 3 2 V 2 1 V 3 2 V 2 1 V 3 2 V 2 1 V 3 1 V 3 2 V 2 1 V 3 2 V 2 1 V 3 1 V 2 2 V 3 1 V 3 2 V 2 1 V 3 1 V 2 2 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 3 1 V 2 2 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 2 1 V 3 2 V 3 1 V 2 1 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 3 1 V 2 1 V 3 2 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 2 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 2 V 2 1 V currentpoint stroke M 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 2 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 0 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 1 V 3 0 V 3 1 V 2 1 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 2 1 V 3 1 V 3 0 V 2 1 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 1 V 3 0 V 2 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 3 0 V 2 1 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 3 -1 V 2 -2 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V currentpoint stroke M 3 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 3 0 V 2 0 V 3 0 V 2 1 V 3 0 V 2 0 V 3 0 V 3 1 V 2 0 V 3 0 V 2 0 V 3 1 V 2 0 V 3 0 V 2 1 V 3 0 V 3 0 V 2 0 V 3 1 V 2 0 V 1 0 V stroke grestore end showpage @endspecial 1690 4791 a Fy(E)c Fx(\(eV\))283 3744 y gsave currentpoint currentpoint translate 270 rotate neg exch neg exch translate 283 3744 a 173 3721 a Fy(f)228 3688 y Fw(0)251 3721 y Fx(\()p Fy(E)5 b Fx(\))283 3744 y currentpoint grestore moveto 283 3744 a 2693 4631 a FE(9800)-606 b(9600)f(9400)f(9200)i(9000)559 4632 y(8800)486 3000 y(0.0)456 3172 y(-1.0)456 3344 y(-2.0)456 3516 y(-3.0)456 3688 y(-4.0)456 3860 y(-5.0)456 4033 y(-6.0)456 4204 y(-7.0)456 4377 y(-8.0)456 4548 y(-9.0)150 4923 y(Figure)44 b(4:)70 b Fy(f)625 4890 y Fw(0)648 4923 y Fx(\()p Fy(E)5 b Fx(\))44 b FE(for)g(the)g(Cu\(1\))g(site)h(of)f Fx(YBa)1858 4937 y Fs(2)1898 4923 y Fx(Cu)2015 4937 y Fs(3)2054 4923 y Fx(O)2125 4937 y Fs(6)p Fl(:)p Fs(68)2254 4923 y FE(.)89 b(Sho)n(wn)43 b(are)i(the)f(bare-atom)h Fy(f)3434 4890 y Fw(0)3457 4923 y Fx(\()p Fy(E)5 b Fx(\))150 5036 y FE(from)24 b(Cromer)n(-Liberman)h(\(dashed\))h(and)e(the)g Fy(f)1711 5003 y Fw(0)1734 5036 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(from)g(the)g(dif)n(ference)i(Kramers-Kr)8 b(\250)-38 b(onig)26 b(transform)150 5149 y(\(solid\).)p eop %%Page: 14 16 14 15 bop 150 -71 a FD(A)93 b(D)t(E)t(L)l(T)l(A)t(F)r(:)23 b(B)m(ARE)f(A)-9 b(T)n(OM)22 b(RESON)n(ANT)e(SCA)-9 b(TTERING)20 b(F)-8 b(A)j(CT)n(ORS)938 b FC(14)p 150 -33 3749 5 v 150 266 a FB(A)123 b Ft(D)6 b(E)g(L)m(T)m(A)g(F)s FB(:)37 b(bar)n(e)30 b(atom)f(r)n(esonant)g(scattering)h(factors)150 473 y FE(Though)22 b(the)g(main)f(purpose)i(of)h Fz(D)t(I)t(FF)t(K)t(K) g FE(is)d(to)g(\223put)h(the)g(XAFS)d(wiggles\224)j(on)g(the)f (bare-atom)i(anomalous)150 586 y(scattering)34 b(f)o(actors,)i(those)c (bare-atom)i(scattering)g(f)o(actors)g(are)e(quite)g(useful)h(on)f (their)h(o)n(wn.)53 b(Ev)o(en)31 b(for)150 699 y(D)l(AFS)23 b(analysis,)28 b(it)d(can)g(be)h(v)o(ery)f(important)i(to)e(include)i (the)f(anomalous)h(scattering)h(f)o(actors)f(from)e(non-)150 812 y(resonant)34 b(atoms)d(in)h(order)g(to)f(fully)h(model)g(the)g (intensity)-6 b(.)54 b(Because)33 b(of)e(these)i(needs)f(\(and)g (because)h(it)150 925 y(w)o(as)e(easy)i(to)e(do\),)36 b Fz(D)t(I)t(FF)t(K)t(K)f FE(is)c(distrib)n(uted)k(with)d(the)g (companion)i(program)g Fz(D)t(E)t(L)m(T)m(A)t(F)k FE(to)31 b(generate)j(the)150 1038 y(bare-atom)28 b(anomalous)h(scattering)g(f)o (actors.)39 b(This)26 b(calculation)j(is)d(based)i(completely)h(on)d (the)h(Brennan-)150 1150 y(Co)n(w)o(an[7)q(])20 b(implementation)j(of)d (the)h(Cromer)n(-Liberman[3)s(])f(w)o(ork.)28 b(There)20 b(are,)h(of)f(course,)i(man)o(y)e(simliar)150 1263 y(programs)25 b(a)n(v)n(ailable.)293 1376 y Fz(D)t(E)t(L)m(T)m(A)t(F)35 b FE(runs)30 b(in)g(a)f(similar)h(f)o(ashion)i(to)f Fz(D)t(I)t(FF)t(K)t (K)r FE(.)48 b(First)30 b(it)f(looks)i(for)f(a)f(\002le)g Fv(deltaf.inp)p FE(.)41 b(If)29 b(it)150 1489 y(\002nds)c(this)g (\002le)f(it)h(reads)h(it)e(and)i(follo)n(ws)f(the)g(instructions)j(gi) n(v)o(en)e(there.)33 b(If)25 b(it)f(can')n(t)i(\002nd)f Fv(deltaf.inp)p FE(,)152 1602 y Fz(D)t(E)t(L)m(T)m(A)t(F)j FE(runs)c(interacti)n(v)o(ely)-6 b(,)25 b(prompting)g(you)e(for)g(the)g (inputs)i(it)d(needs.)30 b(In)22 b(either)i(case,)g Fv(deltaf.log)150 1715 y FE(will)g(be)g(written,)h(sho)n(wing)g(the)f(program)i (parameters)g(used.)31 b(And)24 b Fv(deltaf.log)19 b FE(is)24 b(in)g(a)g(v)n(alid)h(format)150 1828 y(for)e Fv(deltaf.inp)p FE(.)h(Due)e(to)h(its)h(simpler)g(nature,)i Fz(D)t(E)t(L)m(T)m(A)t(F)j FE(has)23 b(e)n(v)o(en)g(fe)n(wer)g (parameters)i(than)h Fz(D)t(I)t(FF)t(K)t(K)r FE(.)150 1941 y(A)c(full)i(list)g(is)g(gi)n(v)o(en)g(in)f(T)-7 b(able)24 b(2.)150 2206 y(T)-7 b(able)27 b(2:)37 b FD(K)n(eyw)o(ords)27 b(f)n(or)j FA(D)t(E)t(L)m(T)m(A)t(F)r FE(.)41 b(The)27 b(k)o(e)o(yw)o(ord,)i(ar)n(gument)g(format,)g(meaning,)g(and)f(def)o (ault)h(v)n(alue)150 2319 y(are)g(listed)g(for)g(each)g(input)g (parameter)-5 b(.)45 b(The)28 b(ar)n(gument)i(format)f(is)g(one)f(of)h (these:)40 b Fq(char)25 b FE(for)k(character)150 2432 y(string,)g Fq(float)23 b FE(for)k(\003oating)h(point)g(number)l(,)g Fq(int)d FE(for)i(inte)o(ger)l(,)i(and)e Fq(log)e FE(for)i(a)f(logical) i(string)h(\(which)150 2544 y(can)24 b(tak)o(e)g(v)n(alues)h Fq(true)c FE(or)i Fq(false)p FE(\).)j(Units)e(of)f(ener)n(gy)j(are)e (in)f(eV)-12 b(.)659 2726 y Fq(keyword)96 b FE(format)132 b(meaning)1015 b(def)o(ault)p 609 2789 2532 4 v 659 2893 a Fq(title)206 b(char)153 b FE(title/comment)26 b(line)738 b(none)659 3005 y Fq(out)316 b(char)153 b FE(output)25 b(data)f(\002le)f(name)487 b Fv(df.out)659 3118 y Fq(iz)371 b(int)208 b FE(atomic)24 b(number)g(for)g(central)h(atom)383 b(8)659 3231 y Fq(elow)261 b(float)98 b FE(lo)n(wer)23 b(v)n(alue)i(for)e(ener)n(gy)j(range)354 b(3000)659 3344 y Fq(ehigh)206 b(float)98 b FE(upper)25 b(v)n(alue)f(of)f(ener)n(gy)j (range)382 b(5000)659 3457 y Fq(egrid)206 b(float)98 b FE(ener)n(gy)25 b(grid)f(for)g(output)737 b(1)659 3570 y Fq(ewidth)151 b(float)98 b FE(ener)n(gy)25 b(width)f(for)g (broadening)387 b(1.50)659 3683 y Fq(end)316 b(-)i FE(end)24 b(reading)h(of)f Fv(deltaf.inp)303 b FE(none)p 609 3745 V 291 4037 a(As)24 b(you)h(can)g(probably)i(tell)e(from)g(this)g (table,)i Fz(D)t(E)t(L)m(T)m(A)t(F)j FE(calculates)d(the)e Fy(f)2680 4005 y Fw(0)2703 4037 y Fx(\()p Fy(E)5 b Fx(\))25 b FE(and)g Fy(f)3080 4005 y Fw(00)3122 4037 y Fx(\()p Fy(E)5 b Fx(\))24 b FE(from)h(the)150 4150 y(Cromer)n(-Liberman)i (tables)g(in)e(a)g(range)h([)p Fq(elow)p FE(,)p Fq(ehigh)p FE(])21 b(on)k(an)h(ener)n(gy)h(grid)f(of)f Fq(egrid)p FE(.)31 b(It)25 b(will)g(apply)150 4263 y(a)e(Lorentzian)j(broadening)g (f)o(actor)f(de\002ned)g(by)e Fq(ewidth)p FE(.)p eop %%Page: 15 17 15 16 bop 150 -71 a FD(B)91 b(INST)-8 b(ALLA)f(TION)2823 b FC(15)p 150 -33 3749 5 v 150 266 a FB(B)119 b(Installation)152 473 y Fz(D)t(I)t(FF)t(K)t(K)41 b FE(is)c(written)h(in)f(fortran,)42 b(and)c(should)h(b)n(uild)g(and)e(install)i(without)g(dif)n(\002culty)f (on)g(all)f(systems)150 586 y(with)29 b(a)h(fortran)h(compiler)g(\(or)e (a)g(C)g(compiler)i(and)f(f2c\).)47 b(Since)32 b Fz(D)t(I)t(FF)t(K)t(K) h FE(is)c(f)o(airly)i(ne)n(w)-6 b(,)30 b(and)g(still)g(uder)150 699 y(some)39 b(de)n(v)o(elopment,)44 b(it)38 b(is)h(probably)i(best)e (to)f(get)h(the)g(latest)h(source)g(code)f(from)g(the)i Fz(D)t(I)t(FF)t(K)t(K)h FE(web)150 812 y(page:)47 b (http://cars.uchicago)q(.edu)q(/\230n)q(e)n(wvil)q(le/)q(daf)q(s/d)q (if)n(fk)q(k/.)60 b(Binary)33 b(e)o(x)o(ecutables)i(for)d(W)l(indo)n (ws95/NT)150 925 y(and)25 b(Macintosh)i(systems)e(will)g(be)f(made)h(a) n(v)n(ailable)i(from)d(the)h(web)f(page)i(as)e(well,)g(b)n(ut)i(may)e (not)h(be)f(k)o(ept)150 1038 y(as)f(up-to-date)k(as)c(the)h(source.)30 b(Contact)25 b(Matt)e(if)h(you)g(need)g(one)g(of)f(these)i(binary)g(v)o (ersions.)291 1150 y(The)20 b Fz(D)t(I)t(FF)t(K)t(K)i FE(source)f(is)d(a)n(v)n(ailable)j(as)e(a)f(single)j(\(enormous\))g (\002le)d(or)g(as)h(compressed)i(archi)n(v)o(e)f(that)g(will)150 1263 y(uncompress)26 b(into)e(the)f(code)h(brok)o(en)i(apart)e(into)g (subroutines)i(with)e(a)e(Unix-style)k(Mak)o(e\002le.)j(Unix)23 b(users)150 1376 y(should)35 b(probably)h(get)d(the)h(compressed)i (archi)n(v)o(e,)g Fv(difkk.tar.gz)p FE(,)29 b(and)34 b(then)g(follo)n(w)g(the)f(\223usual\224)150 1489 y(Unix)24 b(installation:)150 1702 y FD(Unpack)e(the)h(sour)n(ce)h(code:)47 b FE(T)-7 b(ype)27 b Fq(gzip)53 b(-dc)g(diffkk.tar.gz)c(|)54 b(tar)f(xvf)g(-)p FE(.)40 b(This)28 b(cre-)377 1815 y(ates)36 b(a)f(subdirectory)40 b(dif)n(fkk)p 1341 1815 28 4 v 34 w(src,)f(which)d(you)g(should)h(change)g(into)f(\(probably)i(by)e (typing)h Fq(cd)377 1927 y(diffkk)p 712 1927 V 30 w(src)p FE(\).)150 2115 y FD(Customize)24 b(the)f(Mak)o(e\002le:)46 b FE(This)26 b(shouldn')n(t)j(be)d(necessary)-6 b(,)29 b(b)n(ut)d(you)h(may)f(w)o(ant)g(to)g(edit)g(the)h(Mak)o(e\002le)377 2228 y(to)k(change)h(the)f(\223F77\224)g(v)n(ariable)h(\(which)f(tells) g(ho)n(w)f(to)h(run)g(the)f(fortran)i(compiler)g(and)f(is)g(set)f(to) 377 2341 y(\223f77)f(-O1\224)g(by)f(def)o(ault\),)k(and)c(the)h (\223INST)-8 b(ALLDIR\224)25 b(v)n(ariable)30 b(\(which)f(tells)h (where)e(to)h(cop)o(y)g(the)377 2454 y(\002les)24 b(to)f(if)g(you)h (type)h Fq(make)52 b(install)p FE(,)20 b(and)k(is)f(set)h(to)f (/usr/local/bin/)28 b(by)c(def)o(ault.\))150 2641 y FD(Build)e(the)h (pr)n(ograms:)48 b FE(T)-7 b(ype)23 b Fq(make)p FE(.)j(This)d(will)h (create)g(the)g(programs)h Fv(diffkk)20 b FE(and)k Fv(deltaf)p FE(.)150 2854 y(Compilation)42 b(of)d(the)h(single-source)k(\002les)c (should)h(be)f(easier)l(,)45 b(generally)d(something)g(lik)o(e)f Fq(f77)53 b(-o)150 2967 y(diffkk)f(diffkk.f)p FE(,)23 b(b)n(ut)28 b(a)f(little)h(more)f(painful)i(to)e(deal)h(with)f(if)g(an) o(ything)i(goes)f(wrong.)40 b(In)27 b(either)150 3080 y(case,)d(the)g(compilation)i(of)d(the)h(code)g(for)g(the)g(Cromer)n (-Liberman)h(tables)g(will)e(be)h(f)o(airly)h(slo)n(w)-6 b(.)150 3311 y(If)23 b(you)h(ha)n(v)o(e)h(an)o(y)e(dif)n(\002culties)j (compiling)f(or)e(questions)k(about)d(the)g(source)h(code,)f(contact)i (Matt.)p eop %%Page: 16 18 16 17 bop 150 -71 a FD(REFERENCES)3043 b FC(16)p 150 -33 3749 5 v 150 266 a FB(Refer)n(ences)195 473 y FE([1])47 b(J.)23 b(O.)f(Cross)i Fr(et)f(al.)p FE(,)g(Phys.)g(Re)n(v)-6 b(.)22 b(B)h FD(accepted)p FE(,)h(0)f(\(1998\).)195 661 y([2])47 b(S.)130 b(I.)h(Zabinsk)o(y)i Fr(et)f(al.)p FE(,)158 b(Phys.)131 b(Re)n(v)-6 b(.)131 b(B)g FD(52)p FE(,)159 b(2995)133 b(\(1995\).)g(See)347 773 y(http://leonardo.phys.w) o(ash)q(in)q(gto)q(n.ed)q(u/)q(fef)n(f/)q(.)195 961 y([3])47 b(D.)22 b(T)-7 b(.)22 b(Cromer)i(and)g(D.)e(Liberman,)i(J.)f(Chem.)f (Phys.)h FD(53)p FE(,)g(1891)i(\(1970\).)195 1149 y([4])47 b(L.)19 b(B.)h(Sorensen)j Fr(et)e(al.)p FE(,)g(in)g Fr(Resonant)h (Anomalous)h(X-Ray)d(Scattering:)31 b(Theory)22 b(and)g(Applications)p FE(,)347 1262 y(edited)31 b(by)e(G.)f(Materlik,)j(C.)d(J.)h(Sparks,)i (and)e(K.)f(Fischer)i(\(North-Holland,)j(Amsterdam,)e(1994\),)347 1375 y(pp.)23 b(389\226420.)j(See)d(http://cars.uchicago.e)q(du/)q (\230ne)o(wville)q(/d)q(afs)q(/ica)q(s/.)195 1562 y([5])47 b(H.)22 b(Stragier)j Fr(et)e(al.)p FE(,)g(Phys.)g(Re)n(v)-6 b(.)22 b(Lett.)h FD(69)p FE(,)h(3064)g(\(1992\).)195 1750 y([6])47 b(D.)20 b(H.)f(T)-6 b(empleton,)23 b(in)e Fr(Handbook)i(of)e(Sync)o(hr)l(otr)l(on)j(Radiation)p FE(,)f(edited)g(by)e(G.)f(S.)g(Bro)n(wn)g(and)i(D.)e(E.)347 1863 y(Moncton)25 b(\(North-Holland,)h(Ne)n(w)c(Y)-10 b(ork,)23 b(1991\),)i(V)-12 b(ol.)23 b(3,)g(pp.)g(201\226220.)195 2050 y([7])47 b(S.)f(Brennan)k(and)e(P)-10 b(.)46 b(L.)h(Co)n(w)o(an,) 53 b(Re)n(v)-6 b(.)47 b(Sci.)h(Instrum.)g FD(63)p FE(,)54 b(850)49 b(\(1992\).)g(See)f(http://www-)347 2163 y (ssrl.slac.stanford.edu/a)q(bso)q(rb)m(.html.)195 2351 y([8])f(R.)26 b(W)-8 b(.)26 b(James,)j Fr(The)e(Optical)h(Principles)i (of)d(the)h(Dif)n(fr)o(action)i(of)d(X-r)o(ays)h FE(\(Ox)f(Bo)n(w)f (Press,)j(W)-7 b(ood-)347 2464 y(bridge,)25 b(CT)-7 b(,)22 b(1962\).)195 2651 y([9])47 b(B.)22 b(E.)g(W)-7 b(arren,)24 b Fr(X-r)o(ay)f(Dif)n(fr)o(action)j FE(\(Do)o(v)o(er)d(Publications,)j (Inc,)e(Ne)n(w)e(Y)-10 b(ork,)23 b(1969\).)150 2839 y([10])47 b(J.)23 b(D.)f(Jackson,)j Fr(Classical)g(Electr)l(odynamics)i FE(\(John)e(W)l(ile)o(y)f(&)e(Sons,)h(Ne)n(w)f(Y)-10 b(ork,)24 b(1975\).)150 3027 y([11])47 b(R.)21 b(H.)f(Pratt,)i(L.)f (Kissel,)i(and)f(P)-10 b(.)21 b(M.)g(Ber)n(gstrom,)i(Jr)-5 b(.,)22 b(in)g Fr(Resonant)i(Anomalous)f(X-Ray)f(Scattering:)347 3140 y(Theory)37 b(and)f(Applications)p FE(,)42 b(edited)c(by)e(G.)e (Materlik,)41 b(C.)34 b(J.)i(Sparks,)j(and)e(K.)d(Fischer)j(\(North-) 347 3253 y(Holland,)24 b(Amsterdam,)g(1994\),)g(pp.)g(9\22633.)150 3440 y([12])47 b(K.)22 b(Ohta)h(and)h(H.)f(Ishida,)h(Applied)h (Spectroscop)o(y)h FD(42)p FE(,)e(952)g(\(1988\).)p eop %%Page: 17 19 17 18 bop 150 398 a FB(Index)152 585 y Fz(D)t(E)t(L)m(T)m(A)t(F)r FE(,)27 b(14)150 698 y Fv(diffkk.inp)p FE(,)18 b(2,)23 b(3,)g(7)150 811 y Fv(diffkk.log)p FE(,)18 b(2,)23 b(5)152 924 y Fz(F)t(E)t(FF)r FE(,)j(2)150 1037 y Fv(dk-exp.inp)p FE(,)18 b(10)150 1150 y Fv(xmu.dat)p FE(,)h(2)150 1323 y(anomalous)26 b(scattering,)g(6)150 1436 y(atomic)e(form)g(f)o(actor)l (,)h(6)150 1608 y(Cromer)n(-Liberman,)g(2,)e(7,)g(14)150 1721 y(Cu)g(metal,)g(10)150 1894 y(D)l(AFS,)e(7)150 2067 y(\002le)i(format,)h(2)150 2239 y(interacti)n(v)o(e)i(session,)f(4)150 2412 y(k)o(e)o(yw)o(ord)316 2525 y Fq(e0)p FE(,)d(3,)g(5,)h(8)316 2638 y Fq(egrid)p FE(,)d(3,)j(7,)g(14)316 2751 y Fq(ehigh)p FE(,)d(3,)j(7,)g(14)316 2864 y Fq(elow)p FE(,)e(3,)i(7,)f(14)316 2977 y Fq(encol)p FE(,)e(2,)j(3)316 3090 y Fq(epad)p FE(,)e(3,)i(8)316 3202 y Fq(ewidth)p FE(,)d(3,)j(7,)g(14)316 3315 y Fq(isfeff)p FE(,)d(2,)j(3)316 3428 y Fq(iz)p FE(,)f(3,)g(7,)h (14)316 3541 y Fq(mucol)p FE(,)d(2,)j(3)316 3654 y Fq(npad)p FE(,)e(3,)i(8)316 3767 y Fq(out)p FE(,)e(3,)i(14)316 3880 y Fq(title)p FE(,)d(3,)j(14)316 3993 y Fq(xmudat)p FE(,)d(2)316 4106 y Fq(xmu)p FE(,)h(3)150 4219 y(Kramers-Kr)8 b(\250)-38 b(onig,)25 b(6,)e(8,)g(9)150 4391 y(Lorentzian)j (broadening,)g(7)150 4564 y(MacLaurin)f(series,)f(9)150 4737 y(source)h(code,)f(15)150 4910 y(Thomson)g(scattering,)i(6)150 5082 y(web)d(site,)h(1,)f(10)150 5255 y(zero)h(padding,)i(8)p eop %%Trailer end userdict /end-hook known{end-hook}if %%EOF debian/ifeffit_shell.10000644000000000000000000000164611353423664012071 0ustar .TH IFEFFIT_SHELL 1 "March 4, 2003" "V1.2" "Perl IFEFFIT Shell" .SH NAME ifeffit_shell \- a Perl wrapper for the IFEFFIT program for XAFS analysis .SH SYNOPSIS .B ifeffit_shell .RI [ options ] " files" ... .SH DESCRIPTION This manual page documents briefly the .B ifeffit_shell command. This program provides a Perl interface to the IFEFFIT interactive EXAFS analysis program. Please see documentation for IFEFFIT itself. .PP .\" TeX users may be more comfortable with the \fB\fP and .\" \fI\fP escape sequences to invode bold face and italics, .\" respectively. .SH SEE ALSO .BR ifeffit (1) .br The reference manual for IFEFFIT and a tutorial in PDF form can be found in: .PP /usr/share/doc/ifeffit/pdf/ifeffit_tutorial.pdf .PP /usr/share/doc/ifeffit/pdf/ifeffit_reference.pdf .SH AUTHOR This manual page was written by Carlo Segre , for the Debian GNU/Linux system (but may be used by others). debian/ifeffit.docs0000644000000000000000000000003211353423664011456 0ustar NEWS README README.PGPLOT debian/ifeffit-doc.docs0000644000000000000000000000003711353423664012226 0ustar tmp_docs/pdf tmp_docs/examples debian/control0000644000000000000000000000453011775121325010577 0ustar Source: ifeffit Section: contrib/science Priority: optional Maintainer: Carlo Segre Build-Depends: debhelper (>= 8), binutils, gfortran, ghostscript, libreadline-dev, libncurses5-dev, libpng-dev, libx11-dev, pgplot5 (>= 5.2.2-11), latex2html, texlive-base, texlive-latex-base, python-all-dev (>= 2.6.6-3~), chrpath X-Python-Version: >= 2.5 XS-Autobuild: yes Homepage: http://cars9.uchicago.edu/ifeffit/ Standards-Version: 3.9.3 Package: ifeffit Architecture: any Depends: ${shlibs:Depends}, ${misc:Depends} Suggests: ifeffit-doc Description: Interactive XAFS analysis program IFEFFIT is an interactive program for XAFS analysis. It combines the high-quality analysis algorithms of AUTOBK and FEFFIT with graphical display of XAFS data and general data manipulation. . IFEFFIT comes as a command-line program, but the underlying functionality is available as a programming library. The IFEFFIT library can be used from C, Fortran, Tcl, Perl, and Python. This allows a variety of user interfaces (both graphical and non-graphical) to be written around IFEFFIT. Currently, three graphical user interfaces: G.I.FEFFIT, ATHENA/ARTEMIS, and SIXPACK are built on the underlying IFEFFIT library. IFEFFIT and all three GUIs are under active development, but are fairly well tested and ready for use. Package: ifeffit-doc Architecture: all Section: contrib/doc Depends: ${misc:Depends} Suggests: ifeffit Description: IFEFFIT examples and documentation This package contains all the available documentation for IFEFFIT and its component programs. Example files for EXAFS data analysis are also provided as tutorials. Package: python-ifeffit Architecture: any Section: contrib/python Depends: ${shlibs:Depends}, ${python:Depends}, python-pmw, python-tk, ifeffit, ${misc:Depends} Conflicts: python2.3-ifeffit (<< 1.2.9) Replaces: python2.3-ifeffit (<< 1.2.9) Provides: ${python:Provides} Description: Python GUI interface and extensions for IFEFFIT . This package provides the Python extensions and the G.I.FEFFIT (gifeffit) front end for IFEFFIT. Package: libifeffit-perl Architecture: any Section: contrib/perl Provides: perl-ifeffit Replaces: perl-ifeffit Conflicts: perl-ifeffit Depends: ${shlibs:Depends}, ${perl:Depends}, ${misc:Depends} Description: Perl extensions for IFEFFIT . This package provides an interface to IFEFFIT from Perl. debian/copyright0000644000000000000000000000245611353423664011137 0ustar This package was debianized by Carlo Segre on Tue, 4 Mar 2003 21:01:36 -0600. It was downloaded from http://cars9.uchicago.edu/ifeffit/ Upstream Author: Matt Newville IFEFFIT, FEFFIT, and AUTOBK are Open Source software. You are free to use, modify, and redistribute the source code and documentation. There is no charge for their use. The limitations are, however, real and significant, and these codes are NOT placed in the public domain because I demand that you cannot do these two things: you cannot claim you wrote the program or documentation, and you cannot prevent other people from using them. Copyright (c) 1997--2002 Matthew Newville, The University of Chicago Copyright (c) 1992--1996 Matthew Newville, University of Washington Permission to use and redistribute the source code or binary forms of this software and its documentation, with or without modification is hereby granted provided that the above notice of copyright, these terms of use, and the disclaimer of warranty below appear in the source code and documentation, and that none of the names of The University of Chicago, University of Washington, or the authors appear in advertising or endorsement of works derived from this software without specific prior written permission from all parties. debian/feffit.ps0000644000000000000000000137330411353423664011017 0ustar %!PS-Adobe-2.0 %%Creator: dvipsk 5.58f Copyright 1986, 1994 Radical Eye Software %%Title: feffit.dvi %%Pages: 46 %%PageOrder: Ascend %%BoundingBox: 0 0 612 792 %%DocumentPaperSizes: Letter %%EndComments %DVIPSCommandLine: dvips -Z feffit.dvi %DVIPSParameters: dpi=300, compressed, comments removed %DVIPSSource: TeX output 1998.07.03:1316 %%BeginProcSet: texc.pro /TeXDict 250 dict def TeXDict begin /N{def}def /B{bind def}N /S{exch}N /X{S N}B /TR{translate}N /isls false N /vsize 11 72 mul N /hsize 8.5 72 mul N /landplus90{false}def /@rigin{isls{[0 landplus90{1 -1}{-1 1} ifelse 0 0 0]concat}if 72 Resolution div 72 VResolution div neg scale isls{landplus90{VResolution 72 div vsize mul 0 exch}{Resolution -72 div hsize mul 0}ifelse TR}if Resolution VResolution vsize -72 div 1 add mul TR[matrix currentmatrix{dup dup round sub abs 0.00001 lt{round}if} forall round exch round exch]setmatrix}N /@landscape{/isls true N}B /@manualfeed{statusdict /manualfeed true put}B /@copies{/#copies X}B /FMat[1 0 0 -1 0 0]N /FBB[0 0 0 0]N /nn 0 N /IE 0 N /ctr 0 N /df-tail{ /nn 8 dict N nn begin /FontType 3 N /FontMatrix fntrx N /FontBBox FBB N string /base X array /BitMaps X /BuildChar{CharBuilder}N /Encoding IE N end dup{/foo setfont}2 array copy cvx N load 0 nn put /ctr 0 N[}B /df{ /sf 1 N /fntrx FMat N df-tail}B /dfs{div /sf X /fntrx[sf 0 0 sf neg 0 0] N df-tail}B /E{pop nn dup definefont setfont}B /ch-width{ch-data dup length 5 sub get}B /ch-height{ch-data dup length 4 sub get}B /ch-xoff{ 128 ch-data dup length 3 sub get sub}B /ch-yoff{ch-data dup length 2 sub get 127 sub}B /ch-dx{ch-data dup length 1 sub get}B /ch-image{ch-data dup type /stringtype ne{ctr get /ctr ctr 1 add N}if}B /id 0 N /rw 0 N /rc 0 N /gp 0 N /cp 0 N /G 0 N /sf 0 N /CharBuilder{save 3 1 roll S dup /base get 2 index get S /BitMaps get S get /ch-data X pop /ctr 0 N ch-dx 0 ch-xoff ch-yoff ch-height sub ch-xoff ch-width add ch-yoff setcachedevice ch-width ch-height true[1 0 0 -1 -.1 ch-xoff sub ch-yoff .1 sub]/id ch-image N /rw ch-width 7 add 8 idiv string N /rc 0 N /gp 0 N /cp 0 N{rc 0 ne{rc 1 sub /rc X rw}{G}ifelse}imagemask restore}B /G{{id gp get /gp gp 1 add N dup 18 mod S 18 idiv pl S get exec}loop}B /adv{cp add /cp X}B /chg{rw cp id gp 4 index getinterval putinterval dup gp add /gp X adv}B /nd{/cp 0 N rw exit}B /lsh{rw cp 2 copy get dup 0 eq{pop 1}{ dup 255 eq{pop 254}{dup dup add 255 and S 1 and or}ifelse}ifelse put 1 adv}B /rsh{rw cp 2 copy get dup 0 eq{pop 128}{dup 255 eq{pop 127}{dup 2 idiv S 128 and or}ifelse}ifelse put 1 adv}B /clr{rw cp 2 index string putinterval adv}B /set{rw cp fillstr 0 4 index getinterval putinterval adv}B /fillstr 18 string 0 1 17{2 copy 255 put pop}for N /pl[{adv 1 chg} {adv 1 chg nd}{1 add chg}{1 add chg nd}{adv lsh}{adv lsh nd}{adv rsh}{ adv rsh nd}{1 add adv}{/rc X nd}{1 add set}{1 add clr}{adv 2 chg}{adv 2 chg nd}{pop nd}]dup{bind pop}forall N /D{/cc X dup type /stringtype ne{] }if nn /base get cc ctr put nn /BitMaps get S ctr S sf 1 ne{dup dup length 1 sub dup 2 index S get sf div put}if put /ctr ctr 1 add N}B /I{ cc 1 add D}B /bop{userdict /bop-hook known{bop-hook}if /SI save N @rigin 0 0 moveto /V matrix currentmatrix dup 1 get dup mul exch 0 get dup mul add .99 lt{/QV}{/RV}ifelse load def pop pop}N /eop{SI restore userdict /eop-hook known{eop-hook}if showpage}N /@start{userdict /start-hook known{start-hook}if pop /VResolution X /Resolution X 1000 div /DVImag X /IE 256 array N 0 1 255{IE S 1 string dup 0 3 index put cvn put}for 65781.76 div /vsize X 65781.76 div /hsize X}N /p{show}N /RMat[1 0 0 -1 0 0]N /BDot 260 string N /rulex 0 N /ruley 0 N /v{/ruley X /rulex X V}B /V {}B /RV statusdict begin /product where{pop product dup length 7 ge{0 7 getinterval dup(Display)eq exch 0 4 getinterval(NeXT)eq or}{pop false} ifelse}{false}ifelse end{{gsave TR -.1 .1 TR 1 1 scale rulex ruley false RMat{BDot}imagemask grestore}}{{gsave TR -.1 .1 TR rulex ruley scale 1 1 false RMat{BDot}imagemask grestore}}ifelse B /QV{gsave newpath transform round exch round exch itransform moveto rulex 0 rlineto 0 ruley neg rlineto rulex neg 0 rlineto fill grestore}B /a{moveto}B /delta 0 N /tail {dup /delta X 0 rmoveto}B /M{S p delta add tail}B /b{S p tail}B /c{-4 M} B /d{-3 M}B /e{-2 M}B /f{-1 M}B /g{0 M}B /h{1 M}B /i{2 M}B /j{3 M}B /k{ 4 M}B /w{0 rmoveto}B /l{p -4 w}B /m{p -3 w}B /n{p -2 w}B /o{p -1 w}B /q{ p 1 w}B /r{p 2 w}B /s{p 3 w}B /t{p 4 w}B /x{0 S rmoveto}B /y{3 2 roll p a}B /bos{/SS save N}B /eos{SS restore}B end %%EndProcSet %%BeginProcSet: special.pro TeXDict begin /SDict 200 dict N SDict begin /@SpecialDefaults{/hs 612 N /vs 792 N /ho 0 N /vo 0 N /hsc 1 N /vsc 1 N /ang 0 N /CLIP 0 N /rwiSeen false N /rhiSeen false N /letter{}N /note{}N /a4{}N /legal{}N}B /@scaleunit 100 N /@hscale{@scaleunit div /hsc X}B /@vscale{@scaleunit div /vsc X}B /@hsize{/hs X /CLIP 1 N}B /@vsize{/vs X /CLIP 1 N}B /@clip{ /CLIP 2 N}B /@hoffset{/ho X}B /@voffset{/vo X}B /@angle{/ang X}B /@rwi{ 10 div /rwi X /rwiSeen true N}B /@rhi{10 div /rhi X /rhiSeen true N}B /@llx{/llx X}B /@lly{/lly X}B /@urx{/urx X}B /@ury{/ury X}B /magscale true def end /@MacSetUp{userdict /md known{userdict /md get type /dicttype eq{userdict begin md length 10 add md maxlength ge{/md md dup length 20 add dict copy def}if end md begin /letter{}N /note{}N /legal{} N /od{txpose 1 0 mtx defaultmatrix dtransform S atan/pa X newpath clippath mark{transform{itransform moveto}}{transform{itransform lineto} }{6 -2 roll transform 6 -2 roll transform 6 -2 roll transform{ itransform 6 2 roll itransform 6 2 roll itransform 6 2 roll curveto}}{{ closepath}}pathforall newpath counttomark array astore /gc xdf pop ct 39 0 put 10 fz 0 fs 2 F/|______Courier fnt invertflag{PaintBlack}if}N /txpose{pxs pys scale ppr aload pop por{noflips{pop S neg S TR pop 1 -1 scale}if xflip yflip and{pop S neg S TR 180 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{pop S neg S TR pop 180 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{ppr 1 get neg ppr 0 get neg TR}if}{noflips{TR pop pop 270 rotate 1 -1 scale}if xflip yflip and{TR pop pop 90 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{TR pop pop 90 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{TR pop pop 270 rotate ppr 2 get ppr 0 get neg sub neg 0 S TR}if}ifelse scaleby96{ppr aload pop 4 -1 roll add 2 div 3 1 roll add 2 div 2 copy TR .96 dup scale neg S neg S TR}if}N /cp {pop pop showpage pm restore}N end}if}if}N /normalscale{Resolution 72 div VResolution 72 div neg scale magscale{DVImag dup scale}if 0 setgray} N /psfts{S 65781.76 div N}N /startTexFig{/psf$SavedState save N userdict maxlength dict begin /magscale true def normalscale currentpoint TR /psf$ury psfts /psf$urx psfts /psf$lly psfts /psf$llx psfts /psf$y psfts /psf$x psfts currentpoint /psf$cy X /psf$cx X /psf$sx psf$x psf$urx psf$llx sub div N /psf$sy psf$y psf$ury psf$lly sub div N psf$sx psf$sy scale psf$cx psf$sx div psf$llx sub psf$cy psf$sy div psf$ury sub TR /showpage{}N /erasepage{}N /copypage{}N /p 3 def @MacSetUp}N /doclip{ psf$llx psf$lly psf$urx psf$ury currentpoint 6 2 roll newpath 4 copy 4 2 roll moveto 6 -1 roll S lineto S lineto S lineto closepath clip newpath moveto}N /endTexFig{end psf$SavedState restore}N /@beginspecial{SDict begin /SpecialSave save N gsave normalscale currentpoint TR @SpecialDefaults count /ocount X /dcount countdictstack N}N /@setspecial {CLIP 1 eq{newpath 0 0 moveto hs 0 rlineto 0 vs rlineto hs neg 0 rlineto closepath clip}if ho vo TR hsc vsc scale ang rotate rwiSeen{rwi urx llx sub div rhiSeen{rhi ury lly sub div}{dup}ifelse scale llx neg lly neg TR }{rhiSeen{rhi ury lly sub div dup scale llx neg lly neg TR}if}ifelse CLIP 2 eq{newpath llx lly moveto urx lly lineto urx ury lineto llx ury lineto closepath clip}if /showpage{}N /erasepage{}N /copypage{}N newpath }N /@endspecial{count ocount sub{pop}repeat countdictstack dcount sub{ end}repeat grestore SpecialSave restore end}N /@defspecial{SDict begin} N /@fedspecial{end}B /li{lineto}B /rl{rlineto}B /rc{rcurveto}B /np{ /SaveX currentpoint /SaveY X N 1 setlinecap newpath}N /st{stroke SaveX SaveY moveto}N /fil{fill SaveX SaveY moveto}N /ellipse{/endangle X /startangle X /yrad X /xrad X /savematrix matrix currentmatrix N TR xrad yrad scale 0 0 1 startangle endangle arc savematrix setmatrix}N end %%EndProcSet TeXDict begin 40258431 52099146 1095 300 300 (feffit.dvi) @start /Fa 5 117 df97 D<13F013301360A4EA0EC0121112201260EAC180A21390A2EA47A0EA38C00C10 7E8F11>100 D<120812181200A4126012B0A31260A2126812C812D0126005107D8F0C> 105 DI<120412 0CA312FE1218A31230A21232A212341218070E7E8D0D>116 D E /Fb 5 117 df100 D<1207EA0D80EA1800A4B4FC1218A8127E09107F8F0A>102 D<1220127012201200A312F01230A812FC06107E8F0A>105 D112 D<1208A212181238B4FC1218 A51380A3EA0F00090E7F8D0C>116 D E /Fc 69 123 df<126012F0AF12601200A41260 12F0A212600419779816>33 D35 D<38380180EA7C03A238EE0700A2130EA35B127C5B12 38C65AA35BA2485AA3485AEB8380380707C0A2380E0EE0A3121CA2383807C0A238180380 13207F9C16>37 DI<12301278127C123C121CA41238127812F012E01240060D789816>I<13E01201 EA0380EA0700120E5AA25AA25AA35AA91270A37EA27EA27E7EEA0380EA01E012000B217A 9C16>I<12C07E12707E7E7EA27EA2EA0380A3EA01C0A9EA0380A3EA0700A2120EA25A5A 5A5A5A0A217B9C16>II<13E0A8B512E0A33800E000A813137F9516>I<12 38127C127EA2123E120E121E121C127812F01260070B798416>I I<127012F8A312700505788416>III<12035AA25A5AB4FCA212E71207AEEAFFF8A30D197B98 16>III<137C13FC13DC1201EA039CA2EA071C 120F120E121E123C1238127812F0B512E0A338001C00A53801FFC0A313197F9816>II<13F8EA03FC487EEA0F07EA1C0F1238EA78 060070C7FCA2EAE3F8EAEFFCB47EEAF80F487EEB038012E0A21270A2130700381300EA3C 1EEA1FFC6C5AEA03E011197E9816>I<12E0B51280A338E00F00131EEA001C5B13781370 5BA2485AA3485AA448C7FCA7111A7E9916>III<127012F8A312701200A8127012F8A312700512 789116>I61 D63 D<13E0487EA213B0A2EA03B8A31318EA071CA5EA0E0E A2EA0FFEA2487EEA1C07A3387E0FC038FF1FE0387E0FC013197F9816>65 DI<3801F180EA07FBEA0FFFEA1F0FEA3C 07EA38031270A200F0C7FC5AA77E38700380A21238383C0700EA1F0FEA0FFE6C5AEA01F0 11197E9816>II<387FFFC0B5FC7EEA1C01A490C7 FCA2131CA2EA1FFCA3EA1C1CA290C7FC14E0A5EA7FFFB5FC7E13197F9816>I<387FFFE0 B5FC7EEA1C00A41400A2131CA2EA1FFCA3EA1C1CA290C7FCA6EA7F80487E6C5A13197F98 16>I73 D<387F0FE038FF8FF0387F0FE0381C0780EB0F00130E5B133C5B5B5BEA1DF0121F7F1338 EA1E1C121C7FA27FA2EB0380387F07E038FF8FF0387F07E01419809816>75 D<38FC07E0EAFE0FA2383A0B80EA3B1BA513BBEA39B3A413F3EA38E3A21303A538FE0FE0 A313197F9816>77 D<387E07F038FF0FF8387F07F0381D81C0A313C1121C13E1A2136113 71A313311339A21319131D130DA3EA7F07EAFF87EA7F031519809816>III82 DI<387FFFE0B5FCA2 EAE0E0A400001300AFEA07FC487E6C5A13197F9816>I<387F07F038FF8FF8387F07F038 1C01C0B0380E0380A23807070013FF6C5AEA00F81519809816>I<1203EA0F80EA3FE0EA FDF8EAF078EA40100D067C9816>94 DI97 D<12FCA3121CA4137CEA1DFEEA1FFFEB0780381E03C0EA1C01EB00E0A6EB01C0 EA1E03381F0780EBFF00EA1DFEEA0C7813197F9816>II<133FA313 07A4EA03C7EA0FF748B4FCEA3C1F487EEA700712E0A6EA700F12786C5A381FFFE0EA0FF7 EA07C713197F9816>II<131E137F3801FF8013 C7380383001380A2EA7FFFB5FCA2EA0380ACEA7FFC487E6C5A11197F9816>I<3803E3C0 3807F7E0EA0FFF381C1CC038380E00A56C5AEA0FF8485AEA1BE00038C7FC1218EA1FFC13 FF481380387003C038E000E0A4387001C0EA7C07383FFF80380FFE00EA03F8131C7F9116 >I<12FCA3121CA41378EA1DFCEA1FFE130FEA1E07121CAA38FF8FE0139F138F13197F98 16>I<1203EA0780A2EA0300C7FCA4EAFF80A31203ACEAFFFC13FE13FC0F1A7C9916>I<12 7E12FE127E120EA4EB7FE0A3EB0F00131E5B5B5B120F7F13BC131EEA0E0E7F1480387F87 F0EAFFCFEA7F871419809816>107 DI<38F9C38038FFEFC0EBFFE0EA3C78A2EA3870AA38FE7CF8A31512809116>I< EAFC78EAFDFCB47EEA1F0FEA1E07121CAA38FF8FE0139F138F13127F9116>III<3803E380EA0FF3 EA1FFBEA3E0FEA78071270EAE003A6EA70071278EA3C1FEA1FFBEA0FF3EA03E3EA0003A6 EB1FF0EB3FF8EB1FF0151B7F9116>I<387F0FC038FF3FE0EA7F7F3807F040EBC0005BA2 90C7FCA8EA7FFC12FF127F13127F9116>I I<12035AA4EA7FFFB5FCA20007C7FCA75BEB0380A3EB8700EA03FE6C5A6C5A11177F9616 >II<387F1FC038FF9FE0 387F1FC0381C0700A2EA0E0EA36C5AA4EA03B8A3EA01F0A26C5A13127F9116>I<38FF1F E0A338380380A4EA39F3A20019130013B3A3EA1DB71317EA1F1FEA0F1EEA0E0E13127F91 16>I<387F1FC0133F131F380F1E006C5AEA03B813F012016C5A12017FEA03B8EA073C13 1CEA0E0E387F1FC038FF3FE0387F1FC013127F9116>I<387F1FC038FF9FE0387F1FC038 1C0700120E130EA212075BA2EA039CA21398EA01B8A2EA00F0A35BA3485A1279127BEA7F 8090C7FC123C131B7F9116>I<383FFFC05AA238700780EB0F00131EC65A5B485A485AEA 078048C7FC381E01C0123C1278B5FCA312127F9116>I E /Fd 4 50 df0 D14 D<120C121EA3123CA21238A31270A31260A212E0 12C0A207117E910A>48 D<390F8007C03919E01C203920303010394018400839C00C8004 EA80071400EB03801307903804C00C394008600839203030103910E01E60390F8007C01E 0E7D8D24>I E /Fe 19 119 df<127012F8A212F012E005057B840E>46 D97 DI<137EEA01C138030080EA0E07121E001C1300EA3C0248C7FCA35AA5EA 70011302EA3004EA1838EA07C011147C9315>I<1478EB03F8EB0070A414E0A4EB01C0A2 13F1EA038938070780EA0E03121C123C383807001278A3EAF00EA31420EB1C40A2EA703C 135C38308C80380F070015207C9F17>I<137CEA01C2EA0701120E121C123CEA3802EA78 0CEA7BF0EA7C0012F0A4127013011302EA3804EA1838EA07C010147C9315>I<1478EB01 9CEB033CA2EB07181400A2130EA5EBFFE0EB1C00A45BA55BA55BA5485AA35B1231007BC7 FC12F31266123C1629829F0E>II<13C0EA01E0A213C0C7FCA7120E12131223EA4380EA4700 A21287120EA35AA3EA38401380A21270EA31001232121C0B1F7C9E0E>105 D108 D<391C0F80F0392630C318394740640C903880680EEB0070A2008E495A120EA3 4848485AA3ED70803A3803807100A215E115623970070064D83003133821147C9325>I< 381C0F80382630C0384740601380EB0070A2008E13E0120EA3381C01C0A3EB0384003813 88A2EB0708EB031000701330383001C016147C931A>I<137CEA01C338030180000E13C0 121E001C13E0123C1278A338F003C0A3EB07801400EA700F130EEA3018EA1870EA07C013 147C9317>I113 DI<13FCEA0302EA0601EA0C03130713061300EA0F8013F0EA07F8EA03FCEA003E13 0E1270EAF00CA2EAE008EA4010EA2060EA1F8010147D9313>I I<000E13C0001313E0382301C0EA4381EA4701A238870380120EA3381C0700A31410EB0E 201218A2381C1E40EA0C263807C38014147C9318>I<380E0380EA1307002313C0EA4383 EA4701130000871380120EA3381C0100A31302A25BA25BEA0E30EA03C012147C9315>I E /Ff 64 122 df12 D<02061330020F1378A24A13F8021E5BA3EC3E01023C5BA3EC7C0302785BA3ECF807007F B712E0B812F0A26C16E0270003C01EC7FCA30107133EEC803CA4007FB712E0B812F0A26C 16E027003E01F0C7FC013C5BA3EB7C0301785BA3EBF80701F05BA30001130F01E090C8FC A33800C0062C317DA533>35 D<123C127EB4FCA21380A2127F123D1201A212031300A212 06A25A5A5A122009137CA511>39 D<123C127EB4FCA21380A2127F123D1201A212031300 A21206A25A5A5A122009137C8711>44 D<123C127E12FFA4127E123C08087C8711>46 D48 D<131C133C13FC12FFA21200B3AA387FFFFCA216237CA21F>I<48B4FC000713C0381E07 F0383803F8386001FC387C00FE12FE14FF147FA2127C003813FFC7FC14FEA2EB01FC14F8 EB03F0EB07E01480EB0F00131E5B1370EBE003EA01C038038007380700061206380FFFFE 5A5A4813FCB5FCA218237DA21F>I<48B4FC000713E0381E03F0383801F8003C13FC387E 00FEA3123EEA1C01000013FCA2EB03F8EB07F0EB0FC03801FF00A2380007E0EB01F014F8 EB00FC14FE14FFA21210127C12FEA214FEA2387C01FC007013F8383E07F0380FFFC00001 130018237DA21F>I<14381478A214F81301130313071306130C131C13381330136013E0 EA01C01380EA03005A120E5A12185A12705AB612C0A2390001F800A790387FFFC0A21A23 7EA21F>I<0018130C001F137CEBFFF814F014E014C01480EBFC000018C7FCA513FF001B 13E0381F03F0381C00F8000813FCC7127EA3147FA2127812FCA3147E5A006013FC127038 3801F8381E07E03807FFC03801FE0018237DA21F>II<1230123C003FB512C0A215804814005C5C38600018A200E05B485B5CC648 5AA249C7FC1306130EA25BA2133CA25BA213F8A41201A66C5A13601A257DA41F>II<13FF000313C0 380F83E0381F00F04813F8007E137CA2147E12FEA3147FA4127E14FF123EEA3F01001F13 7FEA0FFEEA03FCC7FC147EA2123C007E13FCA214F814F0EA7C01383003E0381C0F80380F FF00EA03F818237DA21F>I<123C127E12FFA4127E123C1200A8123C127E12FFA4127E12 3C08187C9711>I63 D<141CA2143EA3147FA24A7EA39038019FC0A29038031FE0140F01077F EB0607A2010C7F1403011C7FEB1801A2496C7EA2017FB5FCA29039E0007F8049133FA248 4880151F00038190C7120FA2486E7ED8FFF090B51280A229257EA42E>65 DI<9138FF8008010FEBF01890393FC03C 789039FE0006F8D801F81303484813014848130048481478121F48481438A2007F151890 C8FCA2481500A97E16187F123FA26C6C1430120F6C6C14606C6C14C06C6CEB0180D800FE EB070090383FC01E90380FFFF8010013C025257DA42C>IIII<9138FF80 10010FEBE03090393FC078F09038FE000DD801F81307D807F0130348481301491300001F 1570485AA2007F153090C8FCA2481500A70203B5FCA26C90380007F0A27F123FA26C7E12 0F7F6C7EEA01F8D800FE130F90383FC03990390FFFF0700100EB803028257DA430>III75 DIII<9038 03FF80011F13F090387F01FC3901FC007FD803F0EB1F804848EB0FC0000F15E04848EB07 F0491303003F15F8A2007F15FC90C71201A24815FEA96C15FCA26D1303003F15F8A26C6C EB07F0A26C6CEB0FE06C6CEB1FC06C6CEB3F806C6CEB7F0039007F01FC90381FFFF00103 138027257DA42E>II<903803FF8001 1F13F090387F01FC3901FC007F4848EB3F804848EB1FC04848EB0FE04848EB07F0A24848 EB03F8A2007F15FC90C71201A24815FEA96C15FCA26D1303003F15F8A26C6CEB07F0147C 3A0FE1FE0FE00007018313C03A03F3019F80D801FFEBFF0039007F81FC90381FFFF00103 140690C7FC1578ED7C1EED7FFE16FC153FA2ED1FF816F0ED0FE0ED03C027307DA42E>I< B67E15F83903F801FEEC007F6F7E6F7EA282A55EA24B5A4BC7FCEC01FE90B512F815C090 38F803F06E7E6E7E157EA2157FA482A31760ED3FC017C0ED1FE1B539E00FFF80923801FE 002B257EA42E>I<01FF1380000713E3380F80F7381E001F48130F481307140312F81401 A27E91C7FCB4FCEA7FE013FE383FFFE014F86C13FE00077F6C1480C67E010313C0EB003F EC0FE01407A200C01303A315C07E6C13076C14806CEB0F0038FFC03E38E3FFF838803FE0 1B257DA422>I<007FB612F8A2397E00FE010078EC00780070153800601518A200E0151C 160C5AA4C71400B3A390B512FEA226247EA32B>III< B53B81FFFE01FFF0A23D07F0001FC0000F007013066C6C010F5CA26F7E6C6C5EA26D496C 1338000017304B7E017F01195CA291388030FE013F5E829139C0607F01011F5E03E01381 90280FE0C03F83C7FCA29139F1801FC3010715C617E69139FB000FEE010315EC02FF14FC 6D486D5AA24A130301005DA24A130102785CA202306D5A3C257FA43F>I<3A7FFFC07FFE A23A03FC00078093C7FC6C6C130E6C6C130C5D90387F80386D6C5A90381FE0605DEB0FF1 903807FB8092C8FCEB03FE13011300806E7E81A2ECDFE0903801CFF0EB038FEC07F89038 0603FC90380E01FE131C90381800FF496D7E1370496D7E496D7E4848130F486C80D8FFFC 90B51280A229257EA42E>I97 DIII<137F3803FFC03807C1F0380F80F8EA1F00 48137C127E147E12FEA2B512FEA248C7FCA3127EA214067E6C130C380F80183807E07038 03FFE038007F8017187E971C>II<3901FF07C00007EBDFE0380F83F1EA 1F01393E00F800007E7FA6003E5B6C485A380F83E0EBFFC0001190C7FC0030C8FCA21238 123C383FFFE06C13FC806C7F481480383C003F48EB0FC000F81307A4007CEB0F806CEB1F 00381F807E3807FFF8C613C01B247E971F>II<120FEA1F80EA3FC0 A4EA1F80EA0F00C7FCA7EA7FC0A2120FB3A2EAFFF8A20D277EA611>I107 DI<26FF80FE137F903A83FF81FFC03B0F8E 0FC707E0019813CC903A9007E803F001A013F0A201C013E0AF3BFFFC7FFE3FFFA230187E 9733>I<38FF80FE903883FF80390F8E0FC0139890389007E013A0A213C0AF39FFFC7FFE A21F187E9722>II<38FF C1FCEBCFFF390FFC1FC09038F007E001C013F0140315F8140115FCA8EC03F8A215F0EBE0 079038F00FE09038DC1F809038CFFF00EBC3F801C0C7FCA9EAFFFCA21E237F9722>I<01 7F13C03803FFC13807E0E3381FC033EB801FEA3F0048130FA212FEA8127E127F7EEB801F 001F133F380FE0EF3803FF8F3800FE0F1300A9ECFFFCA21E237E9720>I<38FF83E0EB8F F8380F8C7CEB90FC13B013A01478EBE0005BAEEAFFFEA216187F9719>I<3807F8C0EA1F FFEA3C07EA7001EAF000A300FC1300B47EEA7FFC7F383FFF80000F13C0120338001FE013 03EAC001A212E014C0EAF00338FC078038EFFF00EAC3FC13187E9718>I<13C0A41201A3 12031207120F121FB512C0A2380FC000AC1460A63807E0C013E13801FF8038007E001323 7FA218>I<39FFC07FE0A2000F1307B0140FA200071317EBE0673903FFC7FE38007F071F 187E9722>I<39FFF80FF8A2390FC001C015803907E00300A26D5A00031306EBF80E0001 130C13FC00005B13FEEB7E30A26D5AA214E06D5AA26D5AA26DC7FCA21D187F9720>I<3B FFF9FFE0FF80A23B1FC03F001C00000F6D13181580D807E05CA29039F03FC07000030137 136015E02601F8635BA29038FCE3F1000001C15B15F990267F80FBC7FCA215FF90383F00 7EA2011E133CA3010C131829187F972C>I<39FFF83FF0A2390FC00F003807E00E6C6C5A 6D5A6C6C5A00001360EB7EC06D5AA2131F6D7E497E80EB33F81361EBE0FC3801C07E3803 807F3907003F8048131F39FFC07FF8A21D187F9720>I<39FFF80FF8A2390FC001C01580 3907E00300A26D5A00031306EBF80E0001130C13FC00005B13FEEB7E30A26D5AA214E06D 5AA26D5AA26DC7FCA21306A25B1230EA781CEAFC185B1370EA68E0EA7FC0001FC8FC1D23 7F9720>I E /Fg 47 122 df<1218123C127CA2123C1204A21208A21210A21220124012 80060E7D840D>44 DI<1230127812F81278127005057C840D>I< EB3F80EBC1E038010070000213785AA2000F137C1380A2EB00781206C712F814F0EB01E0 14C0EB0380EB0700130E5B5B13605B485A380300201206000813405A383FFFC0481380B5 FC161E7E9D17>50 D<137EEA01C338030180000613C0120EEA1C00003C13E0A213011278 A41303A2003813C01307EA1C0BEA0C133803E380EA0007A214005BEA600EEAF01C131848 5AEA8060EA41C0003FC7FC131F7C9D17>57 D<1408140C141C143CA2147C147E149EA2EB 011EA21302801304A21308A20110138014071320A2EB7FFF90384007C0EB8003A2EA0100 A21202EC01E01206001F130339FF801FFE1F207F9F22>65 D<0007B5FC3900F803C09038 7801E0EC00F04913F8A515F03801E001EC03E015C0EC0F809038FFFE009038E00F803903 C003C0EC01E015F0A21400A2485A1401A215E01403EC07C0390F000F80EC3E00B512F01D 1F7E9E20>II<0007B57E3900F801E09038780070 81497F151E150E150FA348481480A6484814005DA3151E153E4848133C5DA25D4A5A4A5A 260F000FC7FC143CB512F0211F7E9E23>I<0007B512FC3900F8007C0178131C150C5B15 04A414043901E00800A31438EBFFF8EBE0383803C010A4EC00081510485AA21520A21560 15C0380F00011407B612801E1F7E9E1F>I<0007B512F83900F800780178133815185B15 08A53901E00800A314181438EBFFF83803C0301410A491C7FC485AA648C8FC7FEAFFFC1D 1F7E9E1E>II<3807FF803800 F8001378A25BA6485AA6485AA6485AA648C7FC7FEAFFF0111F7E9E10>73 D<3A07FF803FE03A00F8001F000178130C5D4913205D5D4AC7FC1402140848485A5C1460 14F013E1EBE4F83803C878EBD07CEBE03CEBC03E141E141F48487E81140781140381380F 00016D487E39FFF00FFE231F7E9E23>75 D77 DII<0007B5FC3900F803C090387800F015785B157CA41578484813F815 F0EC01E0EC03C0EC0F00EBFFFCD803C0C7FCA6485AA648C8FC7FEAFFF81E1F7E9E1F>I< 3807FFFE3900F8078090387801E0EC00F05B15F8A415F03801E00115E0EC03C0EC0780EC 1E00EBFFF03803C03880141E140EA2140F48485AA51502D80F001304EB800F39FFF00788 C7EA01F01F207E9E21>82 DI<003FB512 F0383C078000301430126039400F0010A212C01280A3D8001E1300A65BA65BA65B7F383F FFE01C1F7A9E21>I<39FFF00FF8391F0003E06CEB01801400001EEB0100A6481302A648 5BA600705BA25CA200785B1238001813C06C48C7FCEA0706EA01F81D20799E22>I<39FF F001FE391F8000F86CC712601540A215807F0007EB0100A214021406EBC00400035BA25C A26C6C5AA25CA26D5A120001F1C7FC13F2A213FC137C1378A21370A213201F207A9E22> I<3A03FFC0FFC03A007F003E00013C1318013E1310011E5B011F5B6D5B0281C7FCEB0783 14C2EB03C414E8EB01F0A2130080A2EB017CEB023CEB043EEB0C1EEB081F497E13200140 7FEB8007000180EB0003000780391F8007F039FFC01FFE221F7F9E22>88 D97 D<1207123F120F7EA2120EA65A137CEA1D 83381E0180001C13C0EB00E05A14F0A5387001E0A214C013031480EB0700EAE80EEACC38 EA83E014207B9F19>I<13FEEA0383380E0780121C0038130090C7FC12785AA45AA37E5B EA70026C5AEA1C18EA07E011147D9314>I<1438EB01F8EB00781438A21470A614E013FC EA0382EA0601121CEA3C00383801C0127812F0A438E00380A412F0EA700738380F00381C 37803807C7E015207D9F19>I<13F8EA070EEA0E07121C383803801278127012F0A2B5FC 00F0C7FC5AA46C5AEA7002EA3004EA1C18EA07E011147D9314>II<140EEB3E11EBE1A33801C1C2380381E0EA07801301120FA3380703C01480EB87 00EA04FC48C7FCA21218121CEA0FFF14C014E0381800F04813305A5AA3006013606C13C0 381C0700EA07FC181F809417>I<13E0120712011200A2485AA6485AEB8F80EB90E013A0 EBC0601380000713E01300A5380E01C0A6381C0380001E13C038FF8FF014207E9F19>I< EA01C0EA03E0A213C0EA0180C7FCA6EA0380121F12071203A2EA0700A6120EA65A121EEA FF800B1F7F9E0C>I<13E0120712011200A2EA01C0A6EA0380A6EA0700A6120EA65A121E EAFF800B207F9F0C>108 D<390387C07C391F9861863907A072073903C03403EB803800 07EB7807EB0070A5000EEBE00EA64848485A001EEBE01E3AFFCFFCFFC022147E9326>I< 38038F80381F90E0EA07A03803C0601380000713E01300A5380E01C0A6381C0380001E13 C038FF8FF014147E9319>I<13FCEA0387380E0180381C00C04813E0A24813F012F0A438 E001E0A214C0130300F0138038700700EA380E6C5AEA07E014147D9317>IIIII<1380EA0100A35A5A5A121EEAFFF8EA0E00A45AA65A1310A41320A2EA1840EA 0F800D1C7C9B12>I<381C0380EAFC1FEA3C07EA1C03A238380700A6EA700EA4131EA25B EA305E381F9F8011147B9319>I<38FF83F8381E00E0001C13C01480121E380E01005B13 025B12075BA25BEA039013A013E05B5B120190C7FC15147C9318>I<39FF9FE1FC393C07 8070391C030060148015401580EA0E0790380D81001309EB19C21311380F21C4EA0720EB 40C814E8EB80F0A26C485A1460000213401E147C9321>I<381FF0FF3803C07800011370 14403800E0C0EBE180EB73001376133CA2131C132E134E1387EA0107380203801204380C 01C0383C03E038FE07FC18147F9318>I<390FF83F803901E00E00EBC00C140813E00000 5B143014205C13705CA20171C7FC1339133A133E133C133813181310A25BA25BEA70C0EA F08000F1C8FC12E61278191D809318>I E /Fh 17 120 df23 D<380FFFC0123F382108001241485A1202A212061204A2EA0C18A212181308120E7E8D15 >25 D<130813181330A31360A313C0A3EA0180A2EA0300A31206A35AA25AA35AA35AA35A A20D207D9713>61 D<3807FFF83800E00E1407A2EA01C0A3140E3803801C1478EBFFE0EB 80383807001C140C140EA2000E131CA214381470381C01E0B5128018167E951B>66 D<3807FFF83800E00E80EC03803801C00115C0A3EA0380A43907000380A215005C000E13 065C5C1470381C01C0B5C7FC1A167E951E>68 D<3907E007F83900F000C0158013B83901 3C0100131C131E130E38020F02130714821303380401C4A2EB00E4A2481378A21438A200 18131012FE1D167E951D>78 D<3807FFF03800E01C14061407EA01C0A3140E48485A1470 EBFF80EB80E03807007080A3000E5BA21580A248EB310038FF801E19167E951B>82 D101 D<1203120712031200A5121C12241246A2128C120C1218A31231A21232A212 1C08167E950D>105 D<1318133813301300A5EA01C0EA0220EA0430A2EA08601200A313 C0A4EA0180A4EA630012E312C612780D1C7F950F>I<121E1206A35AA4EA181C1366138E EA190CEA3200123C123FEA3180EA60C013C4A3EAC0C813700F167D9513>I<38383C1E38 44C6633847028138460301388E0703EA0C06A338180C061520140C154039301804C0EC07 001B0E7E8D20>109 DI112 DI<1203A21206 A4EAFFC0EA0C00A35AA45A1380A2EA31001232121C0A147E930E>116 D<381C0204382606061246A238860C04120CA338181808A214101208380C2C203803C7C0 170E7E8D1A>119 D E /Fi 13 113 df0 D<0040130400C0130C006013186C13306C13606C13C03806018038030300EA0186EA00CC 13781330A2137813CCEA0186EA030338060180380C00C048136048133048131848130C00 40130416187A9623>2 D<5B5BAEB612FCA2D80003C7FCADB612FCA21E207E9E23>6 D<15C01403EC0F00141C1470495AEB0780011EC7FC1378EA01E0EA0380000EC8FC123C12 F0A2123C120EEA0380EA01E0EA0078131EEB0780EB01E0EB0070141C140FEC03C0140015 00A8007FB51280B612C01A267C9C23>20 D24 DI29 D<1506A381A216801501ED00C01660167016 18B8FCA2C912181670166016C0ED018015031600A21506A328187E962D>33 D<90383FFFE048B512F839071E01FE0008EB007F0018141F007080A212C0D8001C130EA2 013C131E151C151801385B5D017813800207C7FCEB70FCEB71F8EBF0FCEBE07C80120149 7EA200036D13100180EB806016E00007903807C1800100EBE3000006EB03FE48EB01F024 207F9E27>82 D<1320136013C0A3EA0180A2EA0300A31206A25AA25AA35AA25AA35AA212 60A37EA27EA37EA27EA27EA3EA0180A2EA00C0A3136013200B2E7CA112>104 D<12C0A21260A37EA27EA37EA27EA27EA3EA0180A2EA00C0A31360A213C0A3EA0180A2EA 0300A31206A25AA25AA35AA25AA35AA20B2E7EA112>I<12C0B3B3A9022D7BA10D>I<1608 16181630A21660A216C0A2ED0180A2ED0300A21506A25DA25DA25DA25DA25D1206001E49 5A122F004F49C7FCEA878000071306EA03C05CA26C6C5AA26C6C5AA2EB7860A26D5AA2EB 1F80A26DC8FCA21306A2252E7E8126>112 D E /Fj 28 116 df<1320134013801201EA 0300120212065AA2121C1218A212381230A21270A4126012E0AE12601270A41230A21238 1218A2121C120CA27E12021203EA01801200134013200B36798115>0 D<7E12407E12307E1208120C7EA212077EA213801201A213C0A4120013E0AE13C01201A4 1380A212031300A25A1206A25A120812185A12205A5A0B367E8115>I<12FFA212C0B3B3 AE12FFA20836778113>I<12FFA21203B3B3AE12FFA208367F8113>I<13061338137013C0 1201EA0380B113005A120E123812E0A21238120E7E7E1380B1EA01C01200137013381306 0F367A811B>8 D<12C01238120E7EEA0380EA01C0B1120013E0137013181307A2131813 7013E013C01201B1EA0380EA0700120E123812C010367B811B>I16 D<12C012607E7E7E120E12067E7F12016C7E7F13601370A21330 13381318131CA2130C130EA47FA6EB0380B3EB0700A6130EA4130C131CA2131813381330 1370A2136013E05B485A120390C7FC1206120E120C5A5A5A5A11517F811B>I<140C1418 1430146014C01301EB0380EB07001306130E5BA25B5BA25BA212015B12035BA2120790C7 FCA25A120EA2121EA2121C123CA412381278A7127012F0B3A212701278A71238123CA412 1C121EA2120EA2120F7EA27F1203A27F12017F1200A21370A27F7FA27F13061307EB0380 EB01C01300146014301418140C166C778121>I<12C012607E7E7E120E7E6C7E12017F6C 7EA213707FA27FA2131E130E130F7FA214801303A214C01301A214E0A2130014F0A41470 1478A71438143CB3A214381478A7147014F0A414E01301A214C0A213031480A213071400 A25B130E131E131CA25BA25B5BA2485A5B120348C7FC120E120C5A5A5A5A166C7F8121> I<14381478EB01F0EB03C0EB0780EB0F00131EA25BA25BB3B05BA2485AA2485A485A48C7 FC121E12785AA21278121E7E6C7E6C7E6C7EA26C7EA21378B3B07FA27FA27FEB0780EB03 C0EB01F0EB00781438156C7A8122>26 D<12E012F8123C7EEA07806C7EA26C7E6C7EA213 78B3B07FA2131C131E7F7FEB0380EB01C0EB00F01438A214F0EB01C0EB0380EB07005B13 1E131C133CA25BB3B05BA2485A485AA2485A001EC7FC5A12F812E0156C7A8122>I<140C 143C1478EB01E0EB03C01480EB07005B131EA25BA35BB3B3A65BA35B12015B1203485A90 C7FC120E5A127812E0A21278121C7E7E7F6C7E12017F12007FA31378B3B3A67FA37FA27F 7FEB038014C0EB01E0EB0078143C140C1688798125>40 D<12C012F01278121E7E7E6C7E 7F6C7EA26C7EA31378B3B3A67FA3131C131E130E130FEB07801303EB01C0EB00E0147814 1CA2147814E0EB01C0EB03801307EB0F00130E131E131C133CA35BB3B3A65BA3485AA248 5A5B48C7FC5A121E12785A12C01688798125>I 48 D<12C01260127012307E121C7E120612076C7EA26C7EA26C7E7F137013781338133C 131C131EA2130E130FA26D7EA36D7EA36D7EA3801300A3801478A3147CA3143CA3143EA4 141EA2141FA980A21580B119527F8028>I<130C133C137813F0EA01E0EA03C01207EA0F 80EA1F00A25A123E127EA3127C12FCB3A70E296F7E28>56 D<12FCB3A7127C127EA3123E 123F7EA2EA0F80EA07C01203EA01E0EA00F01378133C130C0E296F8028>58 D<137EB3A8137C13FCA213F8A2EA01F0A2EA03E0A2EA07C01380EA0F00121E5A5A12E0A2 12787E7E7EEA078013C0EA03E0A2EA01F0A2EA00F8A213FCA2137C137EB3A80F54788028 >60 D<12FCB006106F8028>62 D<12F8B11278A2127CA9123CA2123EA4121EA3121FA37E A37F1207A37F1203A36C7EA36C7EA31378A21338133CA2131C131E130E130F7F8013036D 7EA26D7EA214701430143880140C80140780EC01801952738228>64 DI88 D<167816C6ED0187ED038FED070F1606ED0600150EA2151E151CA2153CA21538 A21578A3157015F0A54A5AA414035DA31407A45D140FA492C7FC5CA5143EA55CA5147814 F8A45C1301A45CA313035CA4495AA591C8FC5BA3130EA2131E131CA3133C1338A25B1260 EAF06013E0485AEA6180001EC9FC28657E7F19>90 D<17801601EE0300A21606A25EA25E A35EA25EA25EA24B5AA24BC7FCA21506A25DA25DA25D1206120E001F5C126FD8C7805B12 074A5AEA03C04AC8FCEA01E01406EA00F05CA2EB7818A26D5AA36D5AA26D5AA26D5AA291 C9FC7F29377B812D>112 D<17801601A2EE0300A31606A35EA35EA35EA45EA35EA34B5A A34BC7FCA31506A45DA35DA300025C1206120E5D121F122F004F5CEAC7801207A24A5AEA 03C0A24AC8FCEA01E0A21406A2EA00F05CA213785CA3133C5CA36D5AA36D5AA35C1307A2 91C9FC7FA229527B812D>I<17801601A2EE0300A41606A55EA45EA45EA55EA45EA44B5A A44BC7FCA51506A45DA45DA45D12021206A2120E001F5CA2122F126F004F5CEA87801207 A24A5AA2EA03C0A34AC8FCEA01E0A31406A2EA00F0A25CA313785CA4133C5CA3131E5CA4 6D5AA56D5AA491C9FC7FA2296D7B812D>I<17801601A3EE0300A51606A55EA65EA55EA6 5EA55EA54B5AA64BC7FCA51506A65DA55DA55D1202A21206A2120E000F5C5AA2122FA200 4F5CEA478012871207A34A5AEA03C0A44AC8FCA2EA01E0A31406A3EA00F0A35CA31378A2 5CA4133CA25CA4131E5CA56D5AA66D5AA591C9FC7FA329897B812D>I E /Fk 30 122 df<3801FCF83807039C380E071C001C13081400A4B512E0381C0700AC38 7F1FE01616809516>11 D<1330ABB512FCA238003000AB16187E931C>43 D48 D<1206120E12FE120EB1EAFFE00B157D9412>I<121FEA21C0EA40E0EA 8060EAC07012E012401200136013E013C0EA0180EA030012025AEA08101210EA2030EA3F E0127F12FF0C157E9412>II<1360A213E0 1201A212021204A21208121012301220124012C0EAFFFCEA00E0A5EA07FC0E157F9412> I61 D69 DI80 D82 D97 D99 D<137C131CA7EA07DCEA183CEA301C1270126012E0A412601270EA303CEA187CEA079F10 167F9514>II103 D<12F81238A7EA39F0EA3A18EA3C1C1238AAEAFE7F10167F9514>I<12301278A2123012 00A412F81238AC12FE07167F950B>I<12F81238B3A212FE07167F950B>108 D<38F8F83E383B1CC7393C0F0380EA380EAA39FE3F8FE01B0E7F8D1F>IIII114 DI<1208A31218A21238EAFF80EA3800A71380A41218EA0F000914 7F930E>I118 D120 DI E /Fl 68 122 df<127012F8B012701200A5127012F8A31270051C779B18>33 D35 D37 DI<137013F0EA01E0EA 03C0EA0780EA0F00121E121C5AA25AA45AA81270A47EA27E121E7EEA0780EA03C0EA01F0 120013700C24799F18>40 D<126012F012787E7E7EEA07801203EA01C0A2EA00E0A41370 A813E0A4EA01C0A2EA03801207EA0F00121E5A5A5A12600C247C9F18>II<136013F0A7387FFFC0B512E0A26C13C03800F000A713601314 7E9718>I<121C123E127E127F123F121F1207120E121E127C12F81260080C788518>I<38 7FFFC0B512E0A26C13C013047E8F18>I<1230127812FCA2127812300606778518>I<1303 EB0780A2130F14005B131EA2133E133C137C1378A213F85B12015B12035BA212075B120F 90C7FCA25A121E123E123CA2127C127812F85AA2126011247D9F18>IIIII<131F5B1377A213E7 120113C7EA038712071307120E121E123C1238127812F0B512F8A338000700A6EB7FF0A3 151C7F9B18>I<383FFF80A30038C7FCA8EA3BF8EA3FFE7F383C0780383003C0EA0001EB 00E0A2126012F0A238E001C0EA7003387C0F80383FFF00EA1FFCEA03F0131C7E9B18>I< 137E48B4FC00071380380F83C0EA1E03121C3838018090C7FC5AA2EAE1F8EAE7FEB5FC38 FE078038F803C0EAF001EB00E05A7E1270A3383801C0EA3C03381E0780380FFF006C5AEA 01F8131C7E9B18>I<12E0B512E0A214C038E00380EB0700C65A131E131C5BA25B13F05B A2485AA3485AA448C7FCA7131D7E9C18>I<1230127812FCA2127812301200A812301278 12FCA2127812300614779318>58 D<387FFFC0B512E0A26C13C0C8FCA4387FFFC0B512E0 A26C13C0130C7E9318>61 D<137CEA01FEEA07FF380F8780381E03C0EA3C1DEA387F3870 FFE0EA71E313C112E1EAE380A638E1C1C0127113E33870FF8038387F00EA3C1C381E00E0 EA0F833807FFC00001138038007E00131C7E9B18>64 D<137013F8A213D8A2EA01DCA313 8CEA038EA4EA0707A5380FFF80A3EA0E03381C01C0A3387F07F000FF13F8007F13F0151C 7F9B18>I67 DIII<3801F1C0EA03FD EA0FFFEA1F0FEA1C03123813011270A290C7FC5AA5EB0FF0131F130F387001C0A2130312 38A2EA1C07EA1F0FEA0FFFEA03FDEA01F1141C7E9B18>I<387F07F038FF8FF8387F07F0 381C01C0A9EA1FFFA3EA1C01AA387F07F038FF8FF8387F07F0151C7F9B18>II<387F07F038FF87F8387F 07F0381C03C0EB07801400130E131E5B13385B13F0121DA2EA1FB8A2131C121EEA1C0EA2 7FA2EB0380A2EB01C0387F03F038FF87F8387F03F0151C7F9B18>75 D<38FC01F8EAFE03A2383B06E0A4138EA2EA398CA213DCA3EA38D8A213F81370A21300A6 38FE03F8A3151C7F9B18>77 D<387E07F038FF0FF8387F07F0381D81C0A313C1121CA213 E1A313611371A213311339A31319A2131D130DA3EA7F07EAFF87EA7F03151C7F9B18>I< EA0FFE383FFF804813C0EA7803EA700100F013E0EAE000B0EAF001007013C0EA7C07EA7F FF6C1380380FFE00131C7E9B18>IIII<3803F1C0EA1FFF5AEA7C0FEA7003EAE001A390C7FC12701278 123FEA1FF0EA07FEC67EEB0F80EB03C01301EB00E0A2126012E0130100F013C038F80780 B5FCEBFE00EAE7F8131C7E9B18>I<387FFFF8B5FCA238E07038A400001300B2EA07FFA3 151C7F9B18>I<38FF83FEA3381C0070B36C13E0EA0F01380783C03803FF806C1300EA00 7C171C809B18>I<38FE03F8EAFF07EAFE03383C01E0001C13C0A3EA1E03000E1380A438 070700A4EA038EA4EA018C13DCA3EA00D813F8A21370151C7F9B18>I<38FE03F8A33870 0070A36C13E0A513F8EA39FC13DCA2001913C0A3138CA2EA1D8DA31305000D1380EA0F07 A2EA0E03151C7F9B18>I94 D97 D<127E12FE127E120EA5133EEBFF80 000F13C0EBC1E01380EB0070120E1438A6000F1370A2EB80E013C1EBFFC0000E13803806 3E00151C809B18>IIIII<3801E1F03807FFF85A381E1E30381C0E00487EA5EA1C0EEA1E1EEA1FFC 5BEA39E00038C7FC7EEA1FFEEBFFC04813E0387801F038700070481338A4007813F0EA7E 03381FFFC06C13803801FC00151F7F9318>I<127E12FE127E120EA5133EEBFF80000F13 C013C1EB80E01300120EAB387FC7FC38FFE7FE387FC7FC171C809B18>II<127E12FE127E120EA5 EB3FF0A3EB0780EB0F00131E5B5B5BEA0FF87F139C130EEA0E0F7FEB038014C0387FC7F8 12FF127F151C7F9B18>107 DI<38F9C1C038 FFF7F013FF383E3E38EA3C3CA2EA3838AB38FE3E3EEB7E7EEB3E3E1714809318>IIII<3801F380EA07FBEA1FFFEA3E1FEA380FEA7007A2 EAE003A6EA7007A2EA380FEA3C1FEA1FFFEA0FFBEA03E3EA0003A7EB1FF0EB3FF8EB1FF0 151E7E9318>I<38FF0FC0EB3FE0EB7FF0EA07F0EBE060EBC0005BA290C7FCA9EAFFFC7F 5B14147E9318>II<487E1203A438 7FFFC0B5FCA238038000A9144014E0A33801C1C013FF6C1380EB3E0013197F9818>I<38 7E07E0EAFE0FEA7E07EA0E00AC1301EA0F033807FFFC6C13FE3801FCFC1714809318>I< 387F8FF000FF13F8007F13F0381C01C0380E0380A338070700A3138FEA038EA3EA01DCA3 EA00F8A2137015147F9318>I<38FF07F8138F1307383800E0A4381C01C0137113F9A213 D9EA1DDD000D1380A3138DEA0F8FA23807070015147F9318>I<387F8FF0139F138F380F 0700EA078EEA039EEA01DC13F81200137013F07FEA01DCEA039E138EEA0707000E138038 7F8FF000FF13F8007F13F015147F9318>I<387F8FF000FF13F8007F13F0380E01C0EB03 80A21207EB0700A2EA0387A2138EEA01CEA213CC120013DC1378A31370A313F05B1279EA 7BC0EA7F806CC7FC121E151E7F9318>I E /Fm 41 122 df<121C123E127FEAFF80A3EA 7F00123E121C09097B8814>46 D65 DI IIIII73 D75 D77 DIII<9038 3FE00C3901FFFC1C0007EBFE3C390FC01FFC381F0007003E1301140048147C153C12FCA2 151C7EA26C140013C0EA7FFCEBFFE06C13FEECFF806C14C06C14E06C14F0000114F86C6C 13FC010F13FEEB007F1407EC01FF80157F126000E0143FA36C143EA36C147C00FE14786C 6C13F09038F007E000F3B512C000E0148039C00FFC00202D7CAC29>83 D<007FB712E0A39039803FE01FD87E001407007C1503007815010070150000F016F0A348 1670A5C71500B3A790B612F8A32C2C7DAB33>III<277FFFFE03B5FCA3C69026C0000FC7FC6E131E 017F141C6D6C133C6E5B011F5C6D6C5B903807FE014B5A6D6C485A6D0187C8FC15CF6D13 DEEC7FFCA26E5A141F6E7EA26E7E81825C021E7F4A7FEC387F9138783FF002F07F903801 E01F4A6C7E01036D7EEB07804A6C7E496D7F011E81497F01386E7E01788149143FB5D8C0 07B512E0A3332D7EAC38>88 D<3801FFE0000F13FC381F007E486C7E6D6C7E81140FD81F 807FEA0F00C7FCA3EB1FFF90B5FC3807FC0FEA0FE0EA1F80EA3F005A12FEA4141F127F6C EB37F03A1FC0E7FF80380FFFC300011300211D7E9C24>97 DII<157EEC0FFEA31400ACEB0FF0EB7FFC3801FC0F3803E003380FC001001F1300 5B123F48C7FCA35AA77EA36C7EA2001F1301EA0FC03807E0073A01F81EFFE03800FFFCEB 1FE0232D7EAC29>III<90383FC03E3901FFF9FF3A03E07FCF803907C03E0F000F13 3F3A1F801F87001580003F80A5001F5CA26C6C48C7FC0007133E6D5A48B45A380C3FC000 1CC9FCA3121E121FEBFFFE6CEBFFC015F06C806C80001F80383E000148EB003F00788012 F8A4007C143E6C5C6C5C390FE007F00003B512C026003FFCC7FC212B7E9C25>II<1207EA0F80EA1FC0EA3FE0A3EA1FC0EA0F80EA0700C7 FCA8EA07E012FFA3120FB3A4EAFFFEA30F2E7DAD14>I108 D<3B07C03F8003F83BFFC1FFE01FFE903BC3C1F83C1F809027C6 01FC6013C0260FCC00EBC00F01D8D9FF8013E001F01400A3495BB13CFFFE0FFFE0FFFEA3 371D7C9C3E>I<3907C07F8039FFC1FFE09038C383F09038C603F8380FCC0101D87F13F0 A313E0B13AFFFE1FFFC0A3221D7C9C29>II<3807E1FFD8FF E713E09038EF03F09038FC01FC390FF000FE49137FED3F80A216C0151FA216E0A716C015 3FA21680ED7F00A26D13FE9038F801F89038EE07F09038E7FFC0D9E1FEC7FC01E0C8FCAA EAFFFEA3232A7D9C29>I<90380FF00E90387FFC1E3901FC0E3E3803F007390FE003FE38 1FC001A2383F8000127FA290C7FC5AA77EA27F123FA2381FC001380FE0033807F0073801 F81E3800FFF8EB1FE090C7FCAA91380FFFE0A3232A7E9C27>I<3807C0FC38FFC3FF9038 C70F80EBCC1F390FD83FC0A213F0EC1F80EC0F0049C7FCB1B5FCA31A1D7E9C1E>I<3801 FF0C000F13FCEA1E013838007C48133C141C12F0A27EB4130013F8387FFF806C13E06C13 F06C13F8000313FC38007FFEEB01FFEB003F0060131F00E0130FA27E140E6C131E6C131C B4137838F3FFE000C01380181D7E9C1D>I<1338A51378A313F8A2120112031207381FFF FCB5FCA23803F800AE140EA70001130CEBFC1C00001338EB3FF0EB0FE0172A7FA91D>I< D807E013FC00FF131FA3000F1301B21403A200071307140D3A03F019FFC03800FFF1EB3F E1221D7C9C29>I<3CFFFE1FFF83FFC0A33C0FF001F8003C0000076E1338A2D803F85D4A 7E01FC15F000015EEC073F01FE14010000010FEB81C0EC0E1F017FEC838091381C0FC302 9C13C7D93FBC01E7C7FCECB807D91FF813EE16FEECF003010F5CECE001A201075CECC000 01035C4A1370321D7F9C35>119 D<3AFFFE03FFE0A33A03F80078006D5B6C6C485A0000 495A90387F0780EB3F8702CFC7FCEB1FFE6D5A6D5A1303806D7E497E5B90380F3F809038 1E1FC0013C7F496C7E1407496C7E48486C7ED803C07F3AFFF807FFF0A3241D7F9C27>I< D87FFEEB7FE0A3D807F0EB0E006D131E0003141C6D133C00011438A26C6C5BA26D13F06D 5B1481013F5B14C3011F5B14E3D90FE7C7FCA2EB07FEA36D5AA26D5AA26D5AA25CA21301 5CEA3803007C5BEAFE0791C8FC130EEAFC1EEA7878EA3FF0EA0FC0232A7F9C27>I E /Fn 51 122 df12 D<146014E0A2EB01C0A2EB0380A3EB 0700A3130EA25BA35BA35BA25BA3485AA2485AA348C7FCA3120EA25AA35AA35AA25AA25A 132D7DA11A>47 DI<137013F0120712 FF12F91201B3A4387FFFC0A2121D7D9C1A>IIII<001C13E0EA1FFF14C0 1480140013FC13C00018C7FCA4EA19FE381FFF80381E07C0381803E0381001F0120014F8 A2127812FCA314F0EA7803007013E0383C0FC0380FFF00EA03FC151D7E9C1A>I<133F38 01FFC03807C0E0EA0F81381F03F0121E123E127CEB01E090C7FCEAFC1013FF00FD13C0EB 03E038FE01F0A200FC13F8A4127CA3003C13F0123E381E03E0380F07C03807FF803801FE 00151D7E9C1A>I<1260387FFFF8A214F014E014C038E0018038C00300A21306C65A5B13 381330137013F0A2485AA21203A41207A56C5A6C5A151E7D9D1A>III<1238127C12FEA3127C12381200A612 38127C12FEA3127C123807147C930F>I<14E0A2497EA3497EA2EB06FCA2EB0EFEEB0C7E A2497EA201307F141F01707FEB600FA2496C7E90B5FC4880EB8003000380EB0001A20006 6D7EA2000E803AFFE00FFFE0A2231F7E9E28>65 D<903807FC0290383FFF0E9038FE03DE 3903F000FE4848133E4848131E485A48C7120EA2481406127EA200FE1400A7127E150612 7F7E150C6C7E6C6C13186C6C13386C6C13703900FE01C090383FFF80903807FC001F1F7D 9E26>67 DIII<903807FC 0290383FFF0E9038FE03DE3903F000FE4848133E4848131E485A48C7120EA2481406127E A200FE91C7FCA591381FFFE0A2007E9038007E00A2127F7EA26C7E6C7E6C7E6C6C13FE38 00FE0190383FFF8E903807FC06231F7D9E29>I 73 D75 DIIIII< B512FCECFF803907E00FE0EC03F081140181A45D14035DEC0FE090B5128002FCC7FCEBE0 3FEC0F8081140781A381A31630EC03F802011360B53800FFC0ED3F80241F7E9E27>82 D<007FB512FCA2397C07E07C0070141C0060140CA200E0140E00C01406A400001400B100 03B512C0A21F1E7E9D24>84 DII97 DIIIII<3803FC3C38 0FFFFE381E079E383C03DE007C13E0A5003C13C0381E0780381FFF00EA13FC0030C7FCA2 1238383FFF806C13F06C13F84813FC3878007C0070133E00F0131EA30078133CA2383F01 F8380FFFE000011300171E7F931A>II<121C123E127FA3123E121CC7FCA6B4FCA2121FB0EA FFE0A20B217EA00E>I108 D<3AFE0FE03F8090391FF07FC03A1E70F9C3E09039407D01F0EB807E121FEB007CAC3AFF E3FF8FFEA227147D932C>I<38FE0FC0EB3FE0381E61F0EBC0F81380EA1F00AD38FFE7FF A218147D931D>I<48B4FC000713C0381F83F0383E00F8A248137CA200FC137EA6007C13 7CA26C13F8A2381F83F03807FFC00001130017147F931A>I<38FF1FC0EB7FF0381FE1F8 EB80FCEB007EA2143E143FA6143E147E147CEB80FCEBC1F8EB7FE0EB1F8090C7FCA7EAFF E0A2181D7E931D>I114 DI<1203A4 5AA25AA2123FEAFFFCA2EA1F00AA1306A5EA0F8CEA07F8EA03F00F1D7F9C14>I<38FF07 F8A2EA1F00AD1301A2EA0F063807FCFF6C5A18147D931D>I<3AFFC7FE1FE0A23A1F00F0 030014F8D80F801306A29038C1BC0E0007140CEBC3BE3903E31E18A29038F60F38000114 3001FE13B03900FC07E0A2EBF80301785BA2903830018023147F9326>119 D<38FFC0FFA2380F80703807C0606D5A3803E180EA01F36CB4C7FC137E133E133F497E13 6FEBC7C0380183E0380381F048C67E000E7F39FF81FF80A219147F931C>I<39FFE07F80 A2391F001C00380F8018A26C6C5AA26C6C5AA2EBF0E000015B13F900005B13FF6DC7FCA2 133EA2131CA21318A2EA783012FC5BEAC0E0EAE1C0EA7F80001EC8FC191D7F931C>I E /Fo 31 122 df<1370A35B003013C0EA78E3EA7EEF383FFF00EA0FFC6C5A5BEA1FFCEA 7FFE38F9DF80EAF1C738C38300EA0380A390C7FC12147B9718>42 D<387FFFC0B512E0A26C13C013047C8F18>45 D<127012F8A412700506768518>I<133E 13FF000313803807C3C0EA0F01000E13E0EA1C00123C003813F014705AA34813E0A4EB01 C0A2130300F01380EA7007EB0F00EA781E6C5AEA1FF85BEA07C0141C7C9B18>48 D<13181338A2137813F81203120F137012041200A413E0A6EA01C0A6EA7FFE12FF127F0F 1C7B9B18>II52 D54 D<130FA25B131B133BA2EB33801373A2 13E3A3EA01C3A2EA0383A3EA070313FFA25AEA0E03121C14C0130138FE0FE000FF13F000 FE13E0141C7E9B18>65 D<387FFFF8B5FCA238E07038A300C013303800E000A6485AA648 5AA6EA3FF0127F123F151C7B9B18>84 D97 D<13FF00031380000F13C0EA1F03383C018048C7FC12705AA713033870078038 780F00EA3FFE6C5AEA07F012147B9318>99 DI<13F8EA07FE487E381F0780EA3C03387801C0127012E0A2B5FC A2148000E0C7FCA213033870078038780F00EA3FFE6C5AEA07F012147B9318>IIII<1318133C137C133C131890C7FCA4EA0FF8121F120FEA0038A2 5BA65BA6EA7FFFB512806C1300111D7C9C18>I107 DI<381F3C3CEBFEFE13FF3807CFCEEB8F8E380F0F0EA2EA0E0E A4381C1C1CA638FE3E3E38FF7F7F38FE3E3E1814809318>I<381F8F80383FBFE0381FFF F03803F07013E0EA07C013801300A4000E13E0A638FF87F8EBCFFCEB87F816147F9318> I<13FCEA03FF000F1380EA1F07383C03C0EA7801007013E0EAE000A4EB01C0A2EB0380EA F007EB0F00EA7C3EEA3FFC6C5AEA07E013147C9318>I<3807E3E0380FEFF83807FFFC38 00FC1CEBF00EEA01E0140713C0A40003130EA2141CA21478EBE0F83807FFE0EB7FC0EB1F 0090C7FCA3120EA4EAFFC0A3181E819318>II<381FE1F8EBE7FCEBEFFE3800FE1EEBFC0C3801F8005B5B5BA3485A A6EAFFFC7F5B17147E9318>II<487E7FA3485A387FFFC0B5FC7E38038000A248C7FCA6120E5BEB0380A2 EB07005BEA07FE5BEA01F012197C9818>I<387E07E0EAFE0FEA7E07EA0E00A2381C01C0 A638380380A41307131F383FFFE06C13F03807E3E014147D9318>I<387F8FF000FF13F8 007F13F0381C0380A2EB0700121EEA0E0F130E131E131CA25BA26C5AA2136013E05B6C5A 15147C9318>I<380FF1FE381FF9FF380FF1FE3803807013C0000113E0A213C114C0A238 00E380A2EBE700A213E6136E136C137C1378A21370A25BA2485A12F3EAF780B4C7FC5A12 78181E7F9318>121 D E /Fp 39 122 df<137EEA01C33903018080380E00C0001E13E0 001CEBE100123C5A14E214E45A14E814F0A25C1270EB016038300671381818323807E01C 19147E931D>11 D<3803C002380FE004EA1FF0383FF808EA701838400C10EAC004008013 20EA00021440A21480A2EB0300A31302A31306A35BA45BA31310171E7F9318>13 D<133EEB7FC013833801018090C7FC7FA27F12007FA213701378A2EA01BCEA071E120EEA 1C0E1218EA380F12707FA2EAE006130EA2130CA2EA6018A26C5A6C5AEA0F8012217EA014 >I<137CEA0180EA0700120E5A123C12381278A2EA7FF0EAF000A31270A312301238EA0C 18EA07E00E147E9312>I<131E1363EBC380EA01C1EA0381EB01C01207120F120EEA1E03 121C123CA338780780EA7FFFA2EA780738F00F00A3130E131EEAE01C133C13381330EA60 705BEA70C0EA3180001EC7FC12207E9F15>18 D<1207EA01C07F12007F1370A213781338 A2133C131CA2131E130EA2130F7F131FEB3780136313C3380183C0EA0381EA0701000E13 E0EA1C005A48137012F048137848133815207D9F1B>21 D<38018018EBC01C38038038A4 38070070A4000E13E0A314E1381E01C2A21303EB05C4EA3F083839F0780038C7FCA25AA4 5AA35A181E7F931B>I<000F1330007F1338000E1370A314E05AEB01C0A2EB0380003813 0013065B5B485A5BEA71C00073C7FC12FC12E015147E9316>I<380FFFFC4813FE4813FC 3860820012C01281EA010613041203A21202EA060C130E120CA2121CA2EA180FEA3807EA 300617147E931A>25 D27 D<000F1480EA13803921C001003801E00200005B6D5AEB70105C1378EB38405C013DC7FC 7F131C131E130E131E132E134F1387EA010700027FEA0403A200087FEA1001002013E2EA 400048133C191D7F931C>31 D<127012F8A3127005057C840D>58 D<127012F012F8A212781208A31210A31220A21240050E7C840D>I<15C01403EC0F0014 1C1470495AEB0780011EC7FC1378EA01E0EA0380000EC8FC123C12F0A2123C120EEA0380 EA01E0EA0078131EEB0780EB01E0EB0070141C140FEC03C014001A1C7C9823>I<144014 C0EB0180A3EB0300A31306A25BA35BA35BA25BA35BA3485AA348C7FCA21206A35AA35AA2 5AA35AA35AA2122D7EA117>I<12C012F0123C120EEA0380EA01E0EA0078131EEB0780EB 01E0EB0070141C140FEC03C0A2EC0F00141C1470495AEB0780011EC7FC1378EA01E0EA03 80000EC8FC123C12F012C01A1C7C9823>I<027F1380903803C0C190390E002300013813 1749130F5B48481306485A48C7FC5A000E1404121E4891C7FCA25AA45AA400701420A35D 6C5CA26C49C7FC6C13066C13183801C06038007F8021217F9F21>67 D<48B612803A001E000F001503A2815BA4903878020292C7FCA21406495AEBFFFCEBF00C A23801E008A3EC000448485BA25DA248485B15601540EC01C0380F0007B65A211F7E9E22 >69 D<48B6FC39001E001E1506A215025BA4491304EC0200A3495A140CEBFFFCEBF00C38 01E008A44848C7FCA4485AA4120FEAFFFC201F7E9E1D>I77 D<48B4EB1FF8D8001FEB03C091388001 001317A2903823C002A2EB21E0A2903841F0041340A2147801805B147C143CA248486C5A A2140FA2000214A01407A2EC03E0485CA21401120C001E6D5AEAFFC0251F7E9E25>I<48 B5128039001E00F01538151CA249131EA449133CA2157815F09038F001C0EC0700EBFFF8 EBF00E48487E1580140315C03903C00780A43907800F001502A21504000F130739FFF803 08C7EA01F01F207E9E23>82 D<903803F04090380C08C09038300580EB600313C0000113 01018013001203A391C7FC7F7F13FC3801FFC06C13F06D7E131FEB01FCEB007C143C141C A21220A21418006013381430147000705B38E80180D8C603C7FCEA81FC1A217E9F1C>I< 000FB512FC391E03C03800181418001014081220EB078012601240A239800F0010000014 00A3131EA45BA45BA45BA41201387FFFC01E1F7F9E1B>I<137CEA01C338070080EA0E07 121E001C1300EA3C0248C7FCA35AA5EA70011302EA3004EA1838EA0FC011147E9314>99 D<1478EB03F8EB0070A414E0A4EB01C0A213F1EA038938070780EA0E03121C123C383807 001278A3EAF00EA31410EB1C20A2EA703CEB5C40EA308C380F078015207E9F18>I<137C EA0182EA0701120E121C123CEA3802EA780CEA7BF0EA7C0012F0A4127013011302EA3004 EA1838EA0FC010147E9315>I<147C14CEEB019E1303140CEB0700A4130EA3EBFFF0EB0E 00A25BA55BA55BA55BA45B1201EA3180127948C7FC1262123C17297E9F16>I104 D<13E01201A2EA00C01300A7120E1213EA23801243A3EA87001207A2120EA25AA21320EA 3840A31380EA1900120E0B1F7E9E10>I<14C0EB01E0A214C090C7FCA7131E1323EB4380 1383EA0103A2380207001200A3130EA45BA45BA45BA21230EA78E0EAF1C0EA6380003EC7 FC1328819E13>II<391E07C07C39231861869038A032033843C034D980381380 A23A87007007001207A3000EEBE00EA3ED1C10261C01C013201538164015182638038013 80D81801EB0F0024147E9328>109 D<381E0780382318C0EBA0603843C0701380A23887 00E01207A3380E01C0A3EB0382001C1384EB07041408130300381310381801E017147E93 1B>I<3803C1E038046218EB741CEA0878EB701EA2EA10E01200A33801C03CA314383803 8078147014E0EBC1C038072380EB1E0090C7FCA2120EA45AA2EAFFC0171D819317>112 D114 D<000FEB607039118070F00021EBE0F801C0137800411438D843801318398381 C010EA0701A3390E038020A31540A2158013070006EB8100380709C23801F07C1D147E93 21>119 D<3803C1C0380C622038103470EB38F012201460384070001200A35BA3142038 61C04012F1148012E238446300EA383C14147E931A>I<001E13600023137014E0EA4380 13001247388701C0120EA3381C0380A4EB07001218121C5BEA0C3EEA03CEEA000EA25BEA F0181338485AEAC060EA41C0003FC7FC141D7E9316>I E /Fq 22 121 df<136013E0120312FF12FD1201B3AA487EB512C0A212247AA31E>49 DI<13FE3803FF80380E07C0381801E000 1013F0123E14F81300A2EA1C01120014F0A214E0EB03C0EB0780EB0E00EA01FE38000780 EB01E0EB00F014F8147CA2147EA2127812FCA2147C5A004013F81260383001F0381E03E0 3807FF803801FE0017257DA31E>I<1460A214E013011303A21305130913191311132113 41A21381EA01011203120212041208121812101220124012C0B61280A2390001E000A8EB 3FFFA219247EA31E>I<00101320381E01C0EA1FFF1480EBFE005BEA13E00010C7FCA613 FCEA1307381C0380381801C0001013E01200EB00F0A214F8A3127012F8A314F01280EA40 0114E0382003C038300780381C0F00EA07FEEA03F015257CA31E>II<14201470A314F8A3EB017CA2EB027E143EA249 7EA3496C7EA201107F1407A2496C7EA3496C7EEB7FFF90B57EEB8000A248C7127CA30002 80A20006143F81001FEC3F803AFFC001FFF8A225267DA52C>65 DIII<13021307A3497E A2EB17C01313A2EB21E0A2EB61F01340A2EB8078A348487EEBFFFC3802001EA3487FA200 0C14801407003CEB0FC0B4EB3FF81D1C7F9B21>97 D100 DI<39FFF1FFE0391F803F0038 0F001EABEBFFFEEB001EAC381F803F39FFF1FFE01B1C7E9B21>104 DI110 DI< B512C0381F00F06C133CA2141E141FA5141E143CA214F0EBFFC090C7FCAB487EEAFFF018 1C7E9B1E>I114 D<3807F040380C0CC0EA3003EA7001EA600000E01340A36C13007E127EEA7FE0EA3FFC6C B4FC0007138038007FC01307EB03E0130113007EA36C13C0EB018000F01300EACC06EA83 F8131C7E9B19>I<007FB512E038700F000060146000401420A200C0143000801410A300 001400B1497E3801FFF81C1C7F9B20>I<397FE01FE0390FC00F803907800E00EBC00C00 0313086C6C5AEBF0303800F820EB7840EB7CC06D5A6DC7FCA26D7E1307EB0BC0EB13E013 11EB20F0497EEBC07CEB803C3801003E00027F00067F000E1480001F14C039FF803FF81D 1C7F9B21>120 D E /Fr 23 121 df<127012F8A3127005057B840F>46 D48 D50 DI<13 18A2133CA3134EA213CF1387A238010380A2000313C0EA0201A23807FFE0EA0400A24813 70A2001813380038137838FE01FF18177F961C>97 DIIIII<38FF87 FC381C00E0AAEA1FFFEA1C00AA38FF87FC16177E961C>104 DI<38FF80FE381C0078146014401480EB0100130613085B13381378139C EA1D0E121EEA1C07EB0380EB01C0A2EB00E014701478147C38FF80FF18177E961D>107 DI<00FCEB07F000 1C1480A20016130BA200131313A338118023A23810C043A3EB6083A2EB3103A3131AA213 0C123800FEEB1FF01C177E9622>I<38FC01FC381E007014201217EA1380A2EA11C0EA10 E0A213701338A2131C130E1307A2EB03A0EB01E0A213001460123800FE132016177E961C >I<13FE38038380380E00E0481370003C1378003813380078133C0070131C00F0131EA7 0070131C0078133C00381338003C1378001C13706C13E0380383803800FE0017177E961D >II115 D<387FFFFC3870381C00401304A200C0130600801302A300001300AE3803FF8017177F96 1B>I<38FF81FC381C00701420B0000C1340120E6C138038018300EA007C16177E961C>I< 3AFF07FC0FC03A3C00F007809138E00300001CEBF002A26C5CEB0138A200075CEB021CA2 D803825BEB840EA2D801C45BEBC807A2D800E85B9038F003C0A201705BEB6001A222177F 9626>119 D<38FF80FE381F0070000E13606C1340EB80803803C100EA01C3EA00E213F4 137813387F133E134E13C7EB8780380103C0EA0201380600E0000413F0000C1370003C13 7800FE13FF18177F961C>I E /Fs 98 127 df<80497EA2497EA2EB05F01304497E1478 EB107C143CEB203E141EEB401F8001807F1407D801007F14030002801401488014004880 157848147C153C48143E151E007FB6FCA2B7128021207E9F26>1 DI<90381F83E09038F06E303901C07878380380F8903800F03048EB7000A7B6 12803907007000B2383FE3FF1D20809F1B>11 D<133FEBE0C0EA01C0380381E0EA0701A2 90C7FCA6B512E0EA0700B2383FC3FC1620809F19>II<90381F81F89038F04F043901C07C06390380 F80FEB00F05A0270C7FCA6B7FC3907007007B23A3FE3FE3FE02320809F26>I<121C12FC 121CB1EAFF8009147F930C>16 D20 D22 D<123E1241EA8080A4EA4100123E090874A022>I<121C121EEA 07801203EA01C0A2EA0380EAFF000A087A7E14>I<127012F8A71270AA1220A51200A512 7012F8A3127005217CA00D>33 DI37 D<137813841201EA03021207A45BA25BA2EA03909038A00FFC9038C001E0EC00C0000114 80EC0100EA02E000041302EA08703818780438303808EA703CEB1C10EAF00EEB0F20EB07 C09038038004387001C0397802E0083938047018391C183C303907E00FC01E227EA023> I<127012F812FCA212741204A31208A21210A212201240060E7C9F0D>I<13401380EA01 005A12061204120C5AA212381230A212701260A412E0AC1260A412701230A212381218A2 7E120412067E7EEA008013400A2E7BA112>I<7E12407E12307E1208120C7EA212077EA2 13801201A413C0AC1380A412031300A25A1206A25A120812185A12205A5A0A2E7EA112> II<1303AFB612FCA2D80003C7FCAF1E207E9A23>I<127012F012F8A21278 1208A31210A31220A21240050E7C840D>II<127012F8A3127005 057C840D>I<144014C0EB0180A3EB0300A31306A25BA35BA35BA25BA35BA3485AA348C7 FCA21206A35AA35AA25AA35AA35AA2122D7EA117>II<13801203120F12F31203B3A6EA07C0EAFFFE0F1E7C9D17>III<13 06A2130EA2131E132EA2134E138EA2EA010E1202A212041208A212101220A2124012C0B5 12F038000E00A7EBFFE0141E7F9D17>II<137CEA0182EA0701380E0380EA0C0712183838030090C7 FC12781270A2EAF1F0EAF21CEAF406EAF807EB0380A200F013C0A51270A214801238EB07 001218EA0C0E6C5AEA01F0121F7E9D17>I<1240387FFFE014C0A23840008038800100A2 1302485AA25B5BA25BA21360A213E05B1201A41203A76C5A131F7E9D17>III<127012F8A312701200AA127012F8A3127005147C930D>I<127012 F8A312701200AA127012F012F8A212781208A31210A31220A21240051D7C930D>I61 D63 DI<5B497EA3497EA3EB09E0A3EB10F0A3EB2078A3497EA2EBC03EEB801EA248B5FC EB000FA20002EB0780A348EB03C0A2120C001E14E039FF801FFE1F207F9F22>II<90380FE0109038381C309038E002 703803C00139078000F048C71270121E15305A1510127C127800F81400A91278007C1410 123CA26C1420A27E6C6C13406C6C13803900E00300EB380CEB0FF01C217E9F21>IIII<90380FE0109038381C30 9038E002703803C00139078000F048C71270121E15305A1510127C127800F81400A7EC3F FEEC01F000781300127C123CA27EA27E6C7E3903C001703900E002309038380C1090380F F0001F217E9F24>I<39FFF07FF8390F000780AD90B5FCEB0007AF39FFF07FF81D1F7E9E 22>II<3807FFC038003E00131EB3A3122012F8 A3EAF01CEA403CEA6038EA1070EA0FC012207F9E17>I<39FFF007FC390F0003E0EC0180 150014025C5C5C5C5C5C49C7FC5B497E130FEB13C0EB21E01341EB80F0EB0078A28080A2 80EC0780A2EC03C015E015F039FFF01FFE1F1F7E9E23>IIIIIII< B57E380F00F0143C8080A21580A41500A2141E5C14F0EBFF80EB01C0EB0070A280143CA3 143EA31504143F141FEC0F0839FFF00788C7EA01F01E207E9E21>I<3803F040380C0CC0 EA1803EA3001EA6000A212E01440A36C13007E127CEA7F80EA3FF86CB4FC00071380C613 C0EB1FE013031301EB00F014707EA46C136014E06C13C038F8018038C60300EA81FC1421 7E9F19>I<007FB512E038780F010060EB006000401420A200C0143000801410A4000014 00B3497E3803FFFC1C1F7E9E21>I<39FFF00FF8390F0003E0EC0080B3A46CEB01001380 120314026C6C5A6C6C5AEB3830EB0FC01D207E9E22>I<39FFF003FE391F8000F86CC712 6015206C6C1340A36C6C1380A2EBE00100011400A23800F002A213F8EB7804A26D5AA36D 5AA2131F6D5AA2EB07C0A36D5AA36DC7FC1F207F9E22>I<3BFFF07FF81FF03B1F000FC0 07C06C903907800180170015C001805C00071502EC09E013C000035DEC19F01410D801E0 5CA2EC2078D800F05CA2EC403C01785CA2EC801E017C1460013C144090383D000F133F6D 5CA2011E1307010E91C7FCA2010C7F010413022C207F9E2F>I<397FF81FF8390FE007C0 3907C0030000031302EBE0063801F00400005BEBF818EB78106D5AEB3E60EB1E406D5AA2 13076D7E497E1305EB08F0EB18F8EB1078EB207CEB603EEB401EEB801F3901000F801407 000214C000061303001FEB07E039FFC01FFE1F1F7F9E22>I<39FFF001FF391F80007800 0F146012076D1340000314807F3901F001001200EBF802EB7C06EB3C04EB3E08131EEB1F 10EB0FB0EB07A014E06D5AACEB3FFC201F7F9E22>I<387FFFFE387E003C127800701378 006013F814F0384001E0130314C0EB07801200EB0F00131EA25B137C13785B1201EBE002 EA03C0A2EA0780000F13061300001E1304003E130C123C48133C14FCB5FC171F7E9E1C> I<12FFA212C0B3B3A512FFA2082D7CA10D>II<12FFA21203B3B3A512FFA2082D80A1 0D>I<120C121E1233EA6180EAC0C0EA80400A067A9E17>I<120812101220A21240A21280 A312B812FCA2127C1238060E7D9F0D>96 DI<12 1C12FC121CAA137CEA1D87381E0180EB00C0001C13E01470A21478A6147014F014E0001E 13C0381A018038198700EA107C15207E9F19>IIII<137CEA01C6EA030F12 07EA0E061300A7EAFFF0EA0E00B2EA7FE01020809F0E>I<14E03803E330EA0E3CEA1C1C 38380E00EA780FA5EA380E6C5AEA1E38EA33E00020C7FCA21230A2EA3FFE381FFF8014C0 383001E038600070481330A4006013606C13C0381C03803803FC00141F7F9417>I<121C 12FC121CAA137C1386EA1D03001E1380A2121CAE38FF8FF014207E9F19>I<1238127CA3 1238C7FCA6121C12FC121CB1EAFF80091F7F9E0C>I<13E0EA01F0A3EA00E01300A61370 EA07F012001370B3A31260EAF06013C0EA6180EA3F000C28829E0E>I<121C12FC121CAA EB1FE0EB0780EB060013045B5B5B136013E0EA1DF0EA1E70EA1C38133C131C7F130F7F14 8014C038FF9FF014207E9F18>I<121C12FC121CB3ABEAFF8009207F9F0C>I<391C3E03E0 39FCC30C30391D039038391E01E01CA2001C13C0AE3AFF8FF8FF8021147E9326>IIII<3801F04038070CC0EA 0E02EA1C03EA38011278127012F0A6127012781238EA1C03EA0C05EA0709EA01F1EA0001 A8EB0FF8151D7F9318>II< EA0FC8EA3038EA6018EAC008A3EAE000127CEA3FE0EA1FF0EA07F8EA003CEA800E130612 C0A21304EAE00CEAD818EA87E00F147F9312>I<1202A31206A2120EA2123EEAFFF8EA0E 00AB1304A5EA07081203EA01F00E1C7F9B12>I<381C0380EAFC1FEA1C03AE1307120CEA 061B3803E3F014147E9319>I<38FF83F8383E00E0001C13C06C1380A338070100A21383 EA0382A2EA01C4A213E4EA00E8A21370A3132015147F9318>I<39FF9FE1FC393C078070 391C030060EC8020000E1440A214C0D80704138014E0A239038861001471A23801D03214 3A143E3800E01CA2EB6018EB40081E147F9321>I<38FF87F8381E03C0380E0180EB0300 EA0702EA0384EA01C813D8EA00F01370137813F8139CEA010E1202EA060738040380000C 13C0003C13E038FE07FC16147F9318>I<38FF83F8383E00E0001C13C06C1380A3380701 00A21383EA0382A2EA01C4A213E4EA00E8A21370A31320A25BA3EAF080A200F1C7FC1262 123C151D7F9318>II124 D126 D E /Ft 4 85 df69 DI73 D<003FB812E0A2903AC003FE001F273E0001FC130348EE01F00078160000701770A30060 1730A4481718A4C71600B3AF4A7E4A7E010FB67EA235367CB53E>84 D E end %%EndProlog %%BeginSetup %%Feature: *Resolution 300dpi TeXDict begin %%PaperSize: Letter %%EndSetup %%Page: 0 1 0 0 bop 815 254 a Ft(FEFFIT)646 383 y Fs(Using)15 b Fr(feff)i Fs(to)e(mo)q(del)h(XAFS)f(data)0 597 y Fq(Contents)30 692 y Fs(1)67 b(In)o(tro)q(duction)29 b Fp(:)7 b(:)g(:)g(:)h(:)f(:)g(:) g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h (:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:) g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h (:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)94 b Fs(1)30 760 y(2)67 b(Input)16 b(and)f(Output)h(Files)k Fp(:)8 b(:)f(:)g(:)g(:)g(:)h(:)f(:) g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g (:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:) g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)85 b Fs(3)30 829 y(3)67 b(Keyw)o(ords)15 b(and)g(Con)o(trols)g(for)f Fo(feffit.inp)32 b Fp(:)7 b(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g (:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:) f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)93 b Fs(5)30 897 y(4)67 b(V)l(ariables)16 b(and)g(P)o(arameters)e(in)i(Fitting)26 b Fp(:)7 b(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g (:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:) f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)h(:)f(:)69 b Fs(11)30 965 y(5)e(Go)q(o)q(dness)15 b(of)g(Fit)g(and)h(Uncertain)o(ties)g(in)g (the)f(V)l(ariables)21 b Fp(:)7 b(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g (:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:) f(:)g(:)63 b Fs(16)30 1033 y(6)k(The)15 b(XAFS)h(Equation)f(and)g Fr(feffit)i Fs(Algorithms)i Fp(:)8 b(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:) g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f (:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)63 b Fs(21)30 1101 y(A)56 b(Examples)27 b Fp(:)7 b(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g (:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:) h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g (:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:) h(:)f(:)g(:)g(:)h(:)f(:)69 b Fs(26)30 1170 y(B)58 b(Suggestions)15 b(for)g(Building)j(Ph)o(ysical)e(Mo)q(dels)g(with)f Fr(feffit)29 b Fp(:)7 b(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f (:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)70 b Fs(31)30 1238 y(C)57 b(Program)14 b(Notes)22 b Fp(:)7 b(:)g(:)g(:)h(:)f(:)g(:)g (:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:) f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g (:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:) f(:)g(:)g(:)g(:)h(:)65 b Fs(37)30 1306 y(D)55 b(Sim)o(ultaneous)16 b(Fits)f(of)g(Multiple)i(Data)d(Sets)25 b Fp(:)7 b(:)g(:)g(:)g(:)h(:)f (:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:) h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)f(:)g(:)g(:)g(:)h(:)67 b Fs(38)0 1533 y Fr(feffit)13 b Fs(w)o(as)d(written)i(with)g(the)g (guidance)h(and)f(encouragemen)o(t)f(of)g(Edw)o(ard)h(A.)f(Stern.)19 b(This)12 b(program)f(w)o(ould)0 1588 y(not)16 b(b)q(e)h(p)q(ossible)h (without)e Fr(feff)p Fs(,)h(written)g(b)o(y)f(John)h(Rehr)f(and)h(Stev) o(e)f(Zabinsky)l(,)h(who)f(let)h(me)f(use)g(some)g(of)0 1642 y(their)g(co)q(de)f(and)h(man)o(y)e(of)h(their)h(ideas.)k(I)c (also)f(thank)g(Charles)g(Bouldin,)i(Anatoly)e(F)l(renk)o(el,)g(P)o (\026)-21 b(eteris)15 b(L)-5 b(\026)-18 b(\020vi)s(\030)-23 b(n)n(\024)j(s,)0 1697 y(Mao)o(xu)17 b(Qian,)i(Bruce)g(Ra)o(v)o(el,)g (Hans)e(Stragier,)i(F)l(uming)f(W)l(ang,)g(Yizhak)h(Y)l(acob)o(y)l(,)f (and)g(Y)l(anjun)h(Zhang)f(for)0 1751 y(man)o(y)d(useful)h(discussions) h(and)e(helpful)i(suggestions.)1200 1956 y(Matthew)d(Newville)1200 2010 y(Univ)o(ersit)o(y)i(of)f(Chicago)1200 2065 y(GSE-CARS,)g(Bldg)h (434A)1200 2120 y(APS,)f(Argonne)g(National)h(Lab)1200 2174 y(Argonne,)f(IL)h(60439)1200 2229 y(newville@cars.uc)o(hicago.edu) 1200 2283 y(\(630\))e(252-0431)1200 2413 y Fr(feffit)i Fs(v)o(ersion)g(2.32)1200 2467 y(up)q(dated:)21 b(July)16 b(3,)f(1998)p eop %%Page: 1 2 1 1 bop 0 100 a Fq(Chapter)22 b(1)1638 b Fn(1)p 0 118 1950 2 v 0 245 a Fm(In)n(tro)r(duction)91 443 y Fr(feffit)14 b Fs(will)h(\014t)e(the)h(calculations)h(from)d Fr(feff)j Fs(to)e(XAFS)g Fp(\037)p Fs(\()p Fp(k)q Fs(\))g(data,)g(giving)h(a)f (metho)q(d)h(of)e(determining)0 498 y(the)17 b(lo)q(cal)h(structure)f (around)g(an)f(atom.)25 b(As)16 b(with)i(all)g(XAFS)f(analysis)g (programs,)f Fr(feffit)i Fs(can)f(determine)0 552 y(in)o(teratomic)12 b(distances,)h(co)q(ordination)f(n)o(um)o(b)q(ers)g(and)g(atomic)f(sp)q (ecies)j(of)d(neigh)o(b)q(oring)i(atoms.)18 b(Finer)12 b(details)0 607 y(of)20 b(atomic)g(con\014gurations,)i(including)h (detailed)f(descriptions)g(of)e(t)o(w)o(o-b)q(o)q(dy)g(distribution)i (functions)g(and)0 662 y(certain)14 b(asp)q(ects)g(of)f(three-b)q(o)q (dy)h(correlations,)g(are)f(also)h(measurable)g(with)g Fr(feffit)p Fs(.)20 b(Exp)q(erience)c(has)d(sho)o(wn)0 716 y(that)18 b(the)h Fr(feff)h Fs(calculations)g(are)f(go)q(o)q(d)g (enough)g(to)f(b)q(e)h(used)h(e\013ectiv)o(ely)f(to)g(\014t)f(real)h (XAFS)g(data)f(from)g(a)0 771 y(wide)h(range)f(of)f(exp)q(erimen)o(tal) j(systems.)28 b(It)18 b(should)h(b)q(e)g(k)o(ept)f(in)h(mind,)g(ho)o(w) o(ev)o(er,)f(that)f Fr(feffit)i Fs(compares)0 825 y(exp)q(erimen)o(tal) k(XAFS)e(to)g(theoretical)h(calculations.)40 b(This)22 b(requires)h(some)e(considerations)h(that)f(can)g(b)q(e)0 880 y(neglected)16 b(when)g(comparing)g(exp)q(erimen)o(tal)g(data)f(to) f(exp)q(erimen)o(tal)j(standards.)91 943 y Fr(feffit)f Fs(uses)f(the)g Fo(feffnnnn.dat)j Fs(\014les)e(output)f(from)f Fr(feff)i Fs(as)e(the)h(basis)g(calculations)i(with)e(whic)o(h)h(to)0 998 y(\014t)d(the)h(XAFS)g(data.)19 b(In)14 b(this)g(w)o(a)o(y)l(,)f Fr(feffit)h Fs(is)g(highly)h(dep)q(enden)o(t)g(on)f Fr(feff)p Fs(,)h(so)e(that)g(a)g(go)q(o)q(d)h(understanding)0 1052 y(of)h(the)h Fr(feff)i Fs(calculation)f(is)f(imp)q(ortan)o(t)g(in)h(b)q (eing)g(able)f(to)g(use)g Fr(feffit)h Fs(w)o(ell.)22 b(Eac)o(h)16 b(of)f(the)h Fo(feffnnnn.dat)0 1107 y Fs(\014les)21 b(represen)o(ts)g(the)g Fp(\037)p Fs(\()p Fp(k)q Fs(\))f(for)g(a)g (scattering)g(path,)i(created)e(b)o(y)g Fr(feff)i Fs(\(v)o(ersion)f(5)f (or)g(higher\))h(when)g(the)0 1162 y(\\Con)o(trol)d(Card")f Fl(MFEFF)h Fs(is)h(set)f(to)g(1.)29 b(There)19 b(is)g(no)f(distinction) j(b)q(et)o(w)o(een)d(single-)i(or)e(m)o(ultiple-scattering)0 1216 y(paths)f(in)i Fr(feff)g Fs(or)e Fr(feffit)p Fs(.)28 b(Those)17 b(unfamiliar)i(with)f Fr(feff)h Fs(or)e(the)h(path)f (expansion)i(should)f(refer)g(to)f(the)0 1271 y Fr(feff)g Fs(do)q(cumen)o(tation)e(and)h(standard)e(XAFS)i(references.)91 1334 y(The)c(XAFS)g(con)o(tribution)h(of)e(eac)o(h)i(scattering)e(path) h(\(read)g(from)f(eac)o(h)h Fo(feffnnnn.dat)k Fs(\014le\))c(is)h (adjusted)0 1389 y(b)o(y)j(applying)h(standard)e(XAFS)h(parameters)f (suc)o(h)h(as)g(co)q(ordination)g(n)o(um)o(b)q(er,)g(c)o(hange)g(in)h (distance,)f(Deb)o(y)o(e-)0 1443 y(W)l(aller)d(F)l(actor,)f(and)g (shift)h(in)g(energy)f(origin\))h(un)o(til)g(the)f(b)q(est-\014t)h(to)f (the)g(data)g(is)g(found.)20 b(Standard)12 b(n)o(umerical)0 1498 y(tec)o(hniques)k(are)f(used)g(to)g(\014nd)g(the)g(set)g(of)f(v)m (ariables)j(that)d(minimizes)j(the)e(sum)g(of)g(squares)f(of)h(the)g (di\013erence)0 1552 y(b)q(et)o(w)o(een)h(mo)q(del)g(and)f(data)g Fp(\037)g Fs(and)h(to)e(estimate)h(the)h(uncertain)o(ties)g(in)g(the)g (v)m(ariables.)21 b(Fitting)15 b(can)h(b)q(e)g(done)0 1607 y(in)i(either)g Fp(R)p Fs(-space)f(or)g(bac)o(k-transformed)f Fp(k)q Fs(-space,)i(with)g(F)l(ourier)f(T)l(ransforms)f(done)i(b)o(y)f Fr(feffit)h Fs(on)f(b)q(oth)0 1662 y(the)f(XAFS)h(data)f(and)g(the)g (calculated)i(mo)q(del)f(during)h(the)e(\014tting)h(pro)q(cess.)23 b(Real)18 b(and)e(imaginary)h(parts)e(of)0 1716 y(the)g(F)l(ourier)g(T) l(ransformed)f Fp(\037)h Fs(are)f(used)i(in)f(the)g(\014t)g(with)g (equal)g(w)o(eigh)o(t.)20 b(The)15 b(mo)q(del)g Fp(\037)p Fs(\()p Fp(k)q Fs(\))g(used)g(to)f(compare)0 1771 y(to)h(data)f(is)i (ev)m(aluated)g(as)f(a)g(sum)g(o)o(v)o(er)f(paths)349 1882 y Fp(\037)377 1889 y Fk(mo)q(del)475 1882 y Fs(\()p Fp(k)q Fs(\))e(=)608 1839 y Fj(X)596 1937 y Fk(P)o(aths)694 1882 y Fp(\037)722 1889 y Fk(path)797 1882 y Fs(\()p Fp(k)q(;)c Fs(Amp)o(\()p Fp(k)q Fs(\))p Fp(;)g Fs(Phase)o(\()p Fp(k)q Fs(\))p Fp(;)g Fs(P)o(ath)13 b(P)o(arameters\))n Fp(:)0 2028 y(\037)28 2035 y Fk(path)121 2028 y Fs(is)18 b(the)g(the)g(XAFS)f(con)o(tribution)i(for)e(eac)o(h)h(path,)g(and)f (dep)q(ends)j(on)d(the)h(scattering)g(amplitude)h(and)0 2082 y(phase-shift)14 b(from)e Fr(feff)j Fs(\(from)d Fo(feffnnnn.dat)s Fs(\))h(and)g(on)g(standard)g(XAFS)g(P)o(ath)f(P)o (arameters.)18 b(These)c(P)o(ath)0 2137 y(P)o(arameters)j(are)g(the)i (ph)o(ysical)g(quan)o(tities)g(used)f(to)g(alter)g(the)g Fp(\037)1176 2144 y Fk(path)1251 2137 y Fs(,)h(suc)o(h)f(as)g (re\014nemen)o(ts)g(of)g(the)g(XAFS)0 2191 y(due)f(to)f(c)o(hanges)h (in)g(the)g(atomic)f(distribution.)26 b Fr(feffit)17 b Fs(allo)o(ws)g(the)g(XAFS)g(for)e(eac)o(h)i(path)g(to)f(b)q(e)h (adjusted)0 2246 y(b)o(y)e(the)g(follo)o(wing)h(P)o(ath)f(P)o (arameters:)182 2345 y Fl(e0)210 b Fs(shift)15 b(of)g(energy)g(origin)h (:)k Fp(k)14 b Fi(!)997 2289 y Fj(q)p 1042 2289 336 2 v 56 x Fp(k)1067 2332 y Fk(2)1098 2345 y Fi(\000)c Fl(e0)p Fs(\(2)p Fp(m)1272 2352 y Fh(e)1291 2345 y Fp(=)p Fs(\026)-23 b Fp(h)1340 2325 y Fk(2)1360 2345 y Fs(\))182 2408 y Fl(ei)210 b Fs(imaginary)15 b(energy)h(shift)f(\(to)f(giv)o(e)i (additional)g(broadening\))182 2462 y Fl(S02)186 b Fs(constan)o(t)14 b(amplitude)j(factor)182 2517 y Fl(delR)162 b Fs(c)o(hange)15 b(in)h(distance)g(\(1st)e(cum)o(ulan)o(t\))182 2571 y Fl(sigma2)114 b Fs(mean-square-displacemen)o(t)17 b(\(2nd)e(cum)o(ulan) o(t\),)g(or)f(Deb)o(y)o(e-W)l(aller)i(F)l(actor)182 2626 y Fl(third)138 b Fs(3rd)15 b(cum)o(ulan)o(t)g(\(from)f(anharmonicit)o (y)i(in)g(the)f(atomic)g(distribution\))182 2680 y Fl(fourth)114 b Fs(4th)15 b(cum)o(ulan)o(t)g(\(from)f(anharmonicit)o(y)i(in)g(the)f (atomic)g(distribution\))91 2770 y(Up)k(to)f(100)h(scattering)f(paths)h (ma)o(y)f(b)q(e)i(com)o(bined)g(to)e(\014t)h(the)g(data.)31 b(Since)20 b(eac)o(h)f(path)g(gets)f(its)h(o)o(wn)0 2825 y(set)f(of)g(P)o(ath)f(P)o(arameters,)g(there)h(could)h(b)q(e)g(up)g (to)e(700)g(p)q(oten)o(tial)i(v)m(ariables)h(in)f(the)f(\014t.)28 b(But)18 b(XAFS)h(data)p eop %%Page: 2 3 2 2 bop 0 100 a Fr(feffit)769 b Fg(In)o(tro)q(duction)g Fn(2)p 0 118 1950 2 v 0 245 a Fs(con)o(tains)14 b(m)o(uc)o(h)g(less)h (information)f(than)f(this)i(ab)q(out)f(the)g(lo)q(cal)h(atomic)e (structure)h(around)g(the)g(cen)o(tral)g(atom)0 300 y(\(t)o(ypically)k (10)e(to)33 b(20)16 b(v)m(ariables)i(can)f(b)q(e)h(determined)g(in)g(a) e(\014t\))g(so)h(constrain)o(ts)f(will)j(need)e(to)g(b)q(e)g(placed)h (on)0 355 y(some)13 b(of)g(the)g(P)o(ath)g(P)o(arameters.)18 b(There)13 b(is)h(no)f(general)h(w)o(a)o(y)e(to)h(decide)i(what)e (should)h(b)q(e)g(v)m(aried)g(or)f(what)g(the)0 409 y(b)q(est)i (constrain)o(ts)f(are)g(for)f(a)i(giv)o(en)f(system.)20 b(With)14 b Fr(feffit)p Fs(,)h(the)g(user)f(c)o(ho)q(oses)h(the)f(v)m (ariables)i(in)f(the)g(\014t,)f(and)0 464 y(writes)j(mathematical)g (expressions)g(for)g(the)g(P)o(ath)f(P)o(arameters)f(in)j(terms)e(of)h (these)g(user-c)o(hosen)g(v)m(ariables.)0 518 y(This)e(conceptual)h (distinction)g(b)q(et)o(w)o(een)f(v)m(ariables)h(and)f(XAFS)g(P)o(ath)f (P)o(arameters)f(giv)o(es)i(a)f(p)q(o)o(w)o(erful)h(abilit)o(y)0 573 y(to)g(put)g(constrain)o(ts)g(on)g(system)f(studied)j(and)e(to)g (use)g(more)g(ph)o(ysically)i(meaningful)g(v)m(ariables)f(in)g(the)g (\014t.)0 664 y Ff(1.1)90 b(Ho)n(w)21 b(to)f(use)h(this)f(do)r(cumen)n (t)91 727 y Fr(feffit)f Fs(is)h(a)e(fairly)h(complex)g(XAFS)g (\014tting)g(program)e(with)i(lots)g(of)f(b)q(ells)i(and)f(whistles,)h (and)f(a)f(few)0 782 y(concepts)g(that)f(ma)o(y)g(b)q(e)h(new)g(ev)o (en)g(to)e(exp)q(erienced)k(XAFS)e(analysts.)27 b(This)18 b(do)q(cumen)o(t)g(is)g(in)o(tended)h(b)q(oth)0 836 y(as)d(a)g (reference)i(man)o(ual)e(for)g(the)h(exp)q(erienced)i(user)d(and)h(as)f (a)g(tutorial)h(for)f(those)g(who)g(are)h(kno)o(wledgeable)0 891 y(ab)q(out)12 b(XAFS)g(but)g(are)g(new)h(to)e Fr(feffit)p Fs(.)20 b(A)12 b(new)h(user)f(should)h(probably)g(skim)f(all)h(the)g(c) o(hapters,)f(and)g(then)h(go)0 945 y(through)g(the)h(w)o(ork)o(ed)e (examples)i(in)g(app)q(endix)i(A.)d(It's)g(a)g(fairly)h(simple)h(XAFS)e (problem,)h(but)g(it)f(will)i(get)e(y)o(ou)0 1000 y(started.)18 b(After)13 b(the)h(examples)g(ha)o(v)o(e)f(b)q(een)h(examined,)g(a)f (more)g(careful)h(reading)g(of)f(c)o(hapter)g(4)g(and)g(app)q(endix)0 1055 y(B)k(should)h(giv)o(e)g(y)o(ou)e(ideas)i(ab)q(out)f(ho)o(w)f(to)h (apply)h Fr(feffit)g Fs(to)e(y)o(our)h(o)o(wn)f(XAFS)h(problems,)h(and) f(c)o(hapter)g(5)0 1109 y(should)g(help)g(y)o(ou)e(in)o(terpret)h(the)f (\014t)h(results.)21 b(The)16 b(remaining)h(c)o(hapters)e(are)h(mostly) f(written)h(for)f(reference.)0 1164 y(Chapter)f(2)f(discusses)i(data)e (\014le)i(formats.)j(Chapter)c(3)f(giv)o(es)h(the)g(complete)h(list)f (of)g Fr(feffit)g Fs(options)g(and)g(ho)o(w)0 1218 y(to)g(implemen)o(t) i(them.)k(Chapter)15 b(6)f(giv)o(es)h(the)g Fr(feffit)h Fs(v)o(ersion)f(of)g(the)g(XAFS)g(equation)g(and)g(an)g(o)o(v)o(erview) f(of)0 1273 y(the)h(mathematical)h(algorithms)f(of)g(the)g(program.)0 1364 y Ff(1.2)111 b(Considerations)20 b(When)h(Using)g(Theoretical)f (Standards)91 1427 y Fr(feffit)f Fs(compares)e(exp)q(erimen)o(tal)j (XAFS)e(data)f(to)g(a)h(theoretical)h(standard,)f(whic)o(h)g(has)g(b)q (ecome)h(the)0 1482 y(preferred)g(analysis)h(metho)q(d)f(in)h(the)f (XAFS)h(comm)o(unit)o(y)l(.)31 b(While)20 b(theoretical)g(standards)f (are)f(con)o(v)o(enien)o(t)0 1536 y(and)e(often)f(more)g(reliable)i (than)e(exp)q(erimen)o(tal)i(standards,)d(they)i(do)f(require)h(some)f (sp)q(ecial)i(considerations.)0 1591 y(These)f(are)e(discussed)j(in)f (greater)f(detail)h(in)g(the)f(XAFS)g(literature,)h(but)f(will)i(b)q(e) f(outlined)h(here.)91 1655 y(The)11 b(exp)q(erimen)o(tal)h Fp(\037)p Fs(\()p Fp(k)q Fs(\))e(should)h(b)q(e)h(as)e(free)g(as)g(p)q (ossible)j(from)c(an)o(y)i(systematic)f(errors)g(\(suc)o(h)g(as)g (detector)0 1709 y(saturation)17 b(or)f(glitc)o(hes\).)27 b(The)17 b(appropriate)h(corrections)f(\(esp)q(ecially)i(for)e(data)g (tak)o(en)f(in)i(\015uorescence\))h(to)0 1764 y(the)i(data)g(should)h (b)q(e)f(made)g(b)q(efore)h(trusting)f(the)g(results)g(from)g Fr(feffit)p Fs(.)38 b(Suc)o(h)22 b(systematic)e(errors)h(and)0 1818 y(corrections)d(are)g(more)g(imp)q(ortan)o(t)f(when)i(using)g (theoretical)g(standards)e(rather)h(than)g(exp)q(erimen)o(tal)h(ones,)0 1873 y(b)q(ecause)g(they)e(will)j(tend)e(to)f(cancel)i(out)e(\(at)g (least)h(to)f(\014rst)g(order\))g(when)h(using)h(exp)q(erimen)o(tal)g (standards.)0 1927 y(The)14 b Fr(uwxafs3.0)f Fs(program)g Fr(a)m(toms)g Fs(\(written)g(b)o(y)h(Bruce)g(Ra)o(v)o(el\))g(will)h (calculate)g(most)e(of)g(these)h(corrections,)0 1982 y(as)i(w)o(ell)i(mak)o(e)e(a)h(go)q(o)q(d)g(\014rst)f(draft)g(of)g(a)h Fl(feff.inp)e Fs(\014le)j(for)e(crystalline)j(materials.)25 b(The)17 b(corrections)f(giv)o(en)0 2036 y(b)o(y)g Fr(a)m(toms)f Fs(will)j(b)q(e)e(in)h(the)f(form)f(of)g(additional)j(amplitude)f (corrections)f(whic)o(h)h(can)f(b)q(e)h(used)f(in)h Fr(feffit)g Fs(to)0 2091 y(giv)o(e)f(the)f Fr(feff)i Fs(calculation)g(the)e(same)g (amplitude)i(reduction)g(as)e(is)h(exp)q(ected)g(for)f(the)g(data.)20 b(See)c(app)q(endix)0 2145 y(B)f(and)h(the)f Fr(a)m(toms)g Fs(do)q(cumen)o(tation)g(for)g(more)f(details.)91 2209 y(The)c(second)h(consideration)h(is)e(that)g(the)g Fr(feff)i Fs(calculations)g(are)e(not)g(p)q(erfect,)h(and)g(mak)o(e)f (assumptions)g(in)0 2264 y(the)i(calculations)h(\(most)e(notably)h(the) g(m)o(u\016n-tin)g(appro)o(ximation)g(of)f(the)h(atomic)g(p)q(oten)o (tials\))g(that)f(migh)o(t)g(b)q(e)0 2318 y(inadequate)g(for)f(some)h (systems.)17 b(While)12 b Fr(feff)g Fs(and)f Fr(feffit)h Fs(has)e(b)q(een)i(demonstrated)e(to)g(giv)o(e)h(go)q(o)q(d)f(results)h (on)0 2373 y(man)o(y)j(\\standard")f(comp)q(ounds,)h(it)g(is)h(still)g (a)f(go)q(o)q(d)g(idea)g(to)g(measure)g(a)f(suitable)j(exp)q(erimen)o (tal)f(\\standard")0 2427 y(comp)q(ound)e(and)f(to)g(\014t)g(it)g(with) g(a)g Fr(feff)h Fs(calculation)h(b)q(efore)e(trusting)g(the)h(results)f (for)g(a)f(completely)j(unkno)o(wn)0 2482 y(structure.)19 b(Suc)o(h)c(\014ts)f(to)f(exp)q(erimen)o(tal)j(\\standards")d (generally)i(pro)o(v)o(e)e(in)o(v)m(aluable)k(in)e(p)q(oin)o(ting)g (out)f(the)g(the)0 2536 y(b)q(est)k(w)o(a)o(ys)e(to)h(mo)q(dify)h(the)g Fr(feff)g Fs(calculations,)i(and)d(therefore)g(ho)o(w)g(to)g(get)g(the) h(b)q(est)g(information)f(out)g(of)0 2591 y(the)e(system)g(b)q(eing)i (studied.)p eop %%Page: 3 4 3 3 bop 0 100 a Fq(Chapter)22 b(2)1638 b Fn(3)p 0 118 1950 2 v 0 245 a Fm(Input)24 b(and)g(Output)g(Files)0 515 y Ff(2.1)90 b(Input)21 b(Files)91 585 y Fr(feffit)h Fs(uses)f(the)g(input)h(\014le)g Fo(feffit.inp)j Fs(to)20 b(con)o(trol)h(the)g(running)h(of)f(the)g(program.)36 b(If)21 b(this)h(\014le)0 640 y(cannot)c(b)q(e)g(found,)h Fr(feffit)g Fs(will)g(stop)f(and)g(complain.)30 b(The)18 b(form)f(and)h(con)o(ten)o(ts)f(of)h Fo(feffit.inp)k Fs(will)d(b)q(e)0 694 y(further)h(discussed)h(in)g(c)o(hapter)f(3.)33 b(In)21 b(addition,)h Fr(feffit)f Fs(needs)f(a)g(set)g(of)f Fo(feffnnnn.dat)24 b Fs(\014les)c(\(suc)o(h)g(as)0 749 y Fo(feff0001.dat)t Fs(\))d(to)f(use)i(as)f(the)g(mo)q(del)h(paths)f (for)g(building)j(the)d(mo)q(del)i Fp(\037)p Fs(\()p Fp(k)q Fs(\).)26 b(Finally)l(,)19 b(a)e(\014le)h(con)o(taining)0 803 y(the)e Fp(\037)p Fs(\()p Fp(k)q Fs(\))g(data)g(to)f(b)q(e)i(\014t) f(ma)o(y)g(b)q(e)g(sp)q(eci\014ed.)25 b(\(If)16 b(no)h(data)e(\014le)i (is)g(giv)o(en,)g Fr(feffit)g Fs(will)g(simply)h(com)o(bine)f(the)0 858 y Fo(feffnnnn.dat)h Fs(according)d(to)f(the)g(inputs,)i(without)e (an)o(y)g(\014tting,)h(whic)o(h)g(mak)o(es)f(a)g(con)o(v)o(enien)o(t)h (and)g(\015exible)0 912 y(alternativ)o(e)20 b(to)f Fr(ff2chi)p Fs(,)i(the)f(\014nal)g(mo)q(dule)h(of)e Fr(feff)p Fs(\).)35 b(Note)19 b(that)g(the)h(data)f(con)o(tains)h Fp(\037)p Fs(\()p Fp(k)q Fs(\),)g(not)f Fp(\026)p Fs(\()p Fp(E)s Fs(\),)0 967 y(not)c Fp(\037)p Fs(\()p Fp(k)q Fs(\))h(that)f(is)h Fp(k)q Fs(-w)o(eigh)o(ted,)g(and)g(not)21 b(~)-28 b Fp(\037)p Fs(\()p Fp(R)p Fs(\).)21 b(The)16 b(data)f(is)h(exp)q(ected)h(to)f(b)q (e)g(giv)o(en)g(on)g(an)g(ev)o(enly)g(spaced)0 1022 y Fp(k)q Fs(-grid)e(of)e(0.05)263 1014 y(\027)263 1022 y(A,)f(and)j(will)g(b)q(e)g(in)o(terp)q(olated)g(on)o(to)e(this)h(grid) g(if)h(it)f(is)g(not.)19 b(The)13 b(names)g(of)f(the)h Fo(feffnnnn.dat)0 1076 y Fs(and)j(input)h(data)e(\014les)i(can)f(b)q(e) g(an)o(y)g(\014le)h(name)e(\(including)k(sub)q(directory)e(paths\))e (allo)o(w)o(ed)h(b)o(y)g(the)g(op)q(erating)0 1131 y(system)f(up)g(to)g (70)g(c)o(haracters)f(long.)20 b(In)c(summary)l(,)e(there)i(are)f (three)g(inputs:)91 1205 y(1.)k Fo(feffit.inp)t Fs(,)c(the)g(input)i (\014le)f(for)e(the)i(program.)91 1260 y(2.)j(A)d(set)f(of)f Fo(feffnnnn.dat)19 b Fs(\014les)d(to)f(sum)g(to)g(mak)o(e)f(the)i (total)e Fp(\037)p Fs(\()p Fp(k)q Fs(\).)91 1314 y(3.)19 b(A)d(data)e(\014le)i(con)o(taining)g Fp(\037)p Fs(\()p Fp(k)q Fs(\))f(for)g(the)g(data)g(to)f(b)q(e)i(\014t.)0 1463 y Ff(2.2)90 b(Running)21 b Fr(feffit)p Ff(,)g(Output)g(Messages,)f (W)-5 b(arnings,)21 b(and)g(Errors)91 1533 y Fs(Y)l(ou)13 b(should)h(b)q(e)f(able)h(to)e(run)h Fr(feffit)g Fs(b)o(y)g(using)h (the)e(command)h Fl(feffit)f Fs(from)g(an)o(y)g(directory)h(with)g(a)g (\014le)0 1588 y(named)i Fo(feffit.inp)s Fs(.)20 b(As)14 b Fr(feffit)i Fs(runs,)e(messages)g(will)i(b)q(e)f(sen)o(t)f(to)g(the)g (screen)h(telling)h(what)e(the)g(program)0 1642 y(is)i(doing,)g(and)g (ma)o(y)e(include)k(w)o(arning)e(or)f(error)g(messages.)20 b(If)c Fr(feffit)g Fs(do)q(es)g(something)g(y)o(ou)f(didn't)h(exp)q (ect)0 1697 y(or)h(do)q(esn't)g(run)g(to)g(completion,)i(these)e (output)g(messages)g(will)i(pro)o(vide)f(the)f(b)q(est)h(diagnostic)g (clues)g(ab)q(out)0 1751 y(what)d(happ)q(ened.)21 b Fr(feffit)16 b Fs(should)g(nev)o(er)f(break)g(without)h(giving)g(messages)e(that)h (will)h(tell)h(the)e(user)g(ho)o(w)g(to)0 1806 y(\014x)g(the)g (problem.)20 b(But)15 b(if)g(it)g(do)q(es,)g(please)h(send)f(me)g(the)g (input)h(\014le)g(and)f(output)f(messages)h(along)f(with)h(y)o(our)0 1861 y(bitter)g(complain)o(ts.)0 1970 y Ff(2.3)90 b(Output)21 b(Files)91 2040 y Fs(As)12 b(so)q(on)h(as)f(the)g(\014t)g(is)h(done,)g Fr(feffit)h Fs(will)g(write)e Fo(feffit.log)t Fs(,)h(giving)g(a)f (summary)g(of)g(the)h(inputs)g(\(suc)o(h)0 2095 y(as)g(F)l(ourier)h(T)l (ransform)f(parameters\))f(and)i(the)g(\014t)f(results)h(for)g(the)f(v) m(ariables,)i(P)o(ath)e(P)o(arameters,)f(and)i(so)f(on.)0 2149 y(This)19 b(\014le)g(is)g(the)g(only)f(place)i(where)e(the)h (\014tting)f(information)h(suc)o(h)f(as)g(uncertain)o(ties)i(in)f(the)f (\014t)h(v)m(ariables)0 2204 y(will)e(b)q(e)e(giv)o(en.)20 b(Output)c(data)e(\014les)i(for)e(the)h(input)h(data,)e(full)i(\014nal) g(\014t,)e(and)h(the)g(\014t)g(con)o(tribution)h(from)e(eac)o(h)0 2258 y(path)j(will)h(b)q(e)g(written)f(in)h Fp(k)q Fs(-space,)f Fp(R)p Fs(-space,)h(and)f(bac)o(ktransformed)f Fp(k)q Fs(-space.)25 b(The)18 b(names)e(and)i(con)o(ten)o(ts)0 2313 y(of)e(the)h(output)g(data)f(\014les)i(will)g(dep)q(end)g(on)f (the)g(\014le)h(format)d(used)j(as)e(discussed)i(in)g(the)f(next)g (section.)25 b(The)0 2367 y(do)q(cumen)o(tation)17 b(in)h(the)f(output) g(data)f(\014les)i(for)e(the)h(individual)j(paths)d(will)h(include)h (the)e(P)o(ath)f(P)o(arameters)0 2422 y(used)g(for)e(that)h(path.)20 b(Again,)15 b(the)g(outputs)g(are:)91 2516 y(1.)k(Run)e(time)e (messages)g(written)g(to)g(standard)f(output.)91 2571 y(2.)19 b Fo(feffit.log)t Fs(,)c(giving)h(all)g(imp)q(ortan)o(t)f(n)o (umerical)i(results.)91 2625 y(3.)i Fp(\037)p Fs(\()p Fp(k)q Fs(\),)i(~)-29 b Fp(\037)q Fs(\()p Fp(R)p Fs(\),)14 b(and)20 b(~)-28 b Fp(\037)p Fs(\()p Fp(k)q Fs(\))15 b(for)g(the)g(data.)91 2680 y(4.)k Fp(\037)p Fs(\()p Fp(k)q Fs(\),)i(~)-29 b Fp(\037)q Fs(\()p Fp(R)p Fs(\),)14 b(and)20 b(~)-28 b Fp(\037)p Fs(\()p Fp(k)q Fs(\))15 b(for)g(the)g(full)h(mo)q(del)g(\014t.)91 2734 y(5.)j Fp(\037)p Fs(\()p Fp(k)q Fs(\),)i(~)-29 b Fp(\037)q Fs(\()p Fp(R)p Fs(\),)14 b(and)20 b(~)-28 b Fp(\037)p Fs(\()p Fp(k)q Fs(\))15 b(for)g(the)g(\014t)g(con)o(tribution)h(from)e(eac)o(h) i(path.)p eop %%Page: 4 5 4 4 bop 0 100 a Fr(feffit)659 b Fg(Input)16 b(and)g(Output)f(Files)660 b Fn(4)p 0 118 1950 2 v 0 245 a Ff(2.4)90 b(Data)20 b(File)g(F)-5 b(ormats)91 309 y Fs(As)13 b(for)g(all)i Fr(uwxafs3.0)e Fs(data)g(analysis)h(programs,)e(there)i(are)f(t)o(w)o(o)f(options)i (for)f(the)h(format)e(of)h(the)h(data)0 364 y(\014les.)25 b(The)17 b(data)f(ma)o(y)g(b)q(e)i(in)f(either)h(a)e(sp)q(ecially)j (formatted)d(binary)h(\014le)h(kno)o(wn)e(as)h(a)f(UWXAFS)h(\014le)g (\(also)0 418 y(called)g(an)f(RDF)f(\014le\),)h(or)f(in)h(a)g(sp)q (ecially)i(formatted)c(ASCI)q(I)j(column)f(\014le.)22 b(More)15 b(information)h(on)f(these)h(\014le)0 473 y(formats,)g (including)j(the)e(format)f(sp)q(eci\014cations)j(and)e(a)g(discussion) h(of)f(the)g(relativ)o(e)h(merits)f(of)f(the)h(t)o(w)o(o)f(\014le)0 527 y(formats)e(can)h(b)q(e)g(found)h(in)g(the)f Fr(uwxafs3.0)f Fs(do)q(cumen)o(t)i Fo(files.doc)t Fs(.)k(The)15 b(t)o(w)o(o)e(\014le)k (handling)f(formats)e(can)0 582 y(b)q(e)j(mixed)h(in)g Fr(feffit)p Fs(,)f(so)g(that)f(the)h(input)g(data)g(can)f(b)q(e)i(in)f (the)g(UWXAFS)g(format)e(and)i(the)g(output)g(data)0 636 y(can)e(b)q(e)h(in)g(the)g(ASCI)q(I)g(format,)d(or)i(vice)h(v)o (ersa.)91 700 y(If)h(the)g(input)i(data)d(is)i(in)g(UWXAFS)f(format,)f (it)h(m)o(ust)f(b)q(e)i(in)g(a)f(\014le)h(with)g(\014le)g(t)o(yp)q(e)f (`CHI')g(\(suc)o(h)g(as)f(is)0 755 y(output)g(from)f Fr(a)o(utobk)p Fs(\).)21 b(Both)16 b(the)g(\014le)h(name)e(and)h (record)g(k)o(ey)g(\(either)g(nk)o(ey)g(or)g(sk)o(ey\))f(m)o(ust)g(b)q (e)i(sp)q(eci\014ed)0 809 y(for)f(the)g(input.)24 b(Outputs)17 b(\014les)g(in)g(the)g(UWXAFS)f(format)f(will)j(b)q(e)f(written)f(to)g (\014les)h(the)f(data,)g(full)i(\014t,)e(and)0 864 y(con)o(tribution)k (from)f(eac)o(h)g(path)g(in)h(sequen)o(tial)h(records.)32 b(If)19 b(the)g(user)h(sp)q(eci\014es)h(the)e(output)g(\014le)i(name)e (b)o(y)0 918 y Fl(out)k(=)h(Test)p Fs(,)15 b(the)g(output)g(\014les)h (will)h(b)q(e)f Fo(Test.chi)j Fs(\(with)d(\014le)g(t)o(yp)q(e)f ('CHI'\))g(for)g(all)h Fp(\037)p Fs(\()p Fp(k)q Fs(\),)f Fo(Test.rsp)k Fs(\(with)0 973 y(\014le)d(t)o(yp)q(e)g('RSP'\))e(for)h (all)21 b(~)-28 b Fp(\037)p Fs(\()p Fp(R)p Fs(\),)14 b(and)i Fo(Test.env)j Fs(\(with)c(\014le)i(t)o(yp)q(e)e('ENV'\))f(for)h (all)21 b(~)-28 b Fp(\037)p Fs(\()p Fp(k)q Fs(\).)91 1036 y(If)18 b(the)h(input)g(data)f(is)g(in)h(ASCI)q(I)h(format,)d(it)i (m)o(ust)e(b)q(e)i(in)g(a)f(\014le)i(with)e(one)h(or)e(more)h(do)q (cumen)o(t)h(lines,)0 1091 y(follo)o(w)o(ed)14 b(b)o(y)g(a)f Fe(r)n(e)n(quir)n(e)n(d)k Fs(line)f(of)d(min)o(us)h(signs)g(\(`-'\),)f (follo)o(w)o(ed)h(b)o(y)f(an)h(ignored)g(line)h(\(for)e(column)h(lab)q (els\))h(,)f(and)0 1145 y(then)j(columns)h(of)f(n)o(umerical)h(data)e (for)h Fp(k)q Fs(,)g(and)g Fp(\037)p Fs(\()p Fp(k)q Fs(\).)25 b(Note)17 b(that)f(eac)o(h)h Fp(k)i Fs(v)m(alue)f(m)o(ust)e(b)q(e)i (giv)o(en,)g(that)e(the)0 1200 y(second)j(column)g(is)f(not)g Fp(k)q Fs(-w)o(eigh)o(ted)g Fp(\037)p Fs(\()p Fp(k)q Fs(\))g(or)g(separated)g(magnitude)g(and)g(phase)h(of)f Fp(\037)p Fs(\()p Fp(k)q Fs(\),)g(and)g(that)f(only)0 1255 y(one)g(data)f(pair)h(can)g(b)q(e)g(giv)o(en)g(p)q(er)g(line.)26 b(Data)15 b(past)i(the)f(second)i(column)f(will)h(b)q(e)g(ignored.)24 b(The)17 b(data)f(will)0 1317 y(b)q(e)g(linearly)h(in)o(terp)q(olated)f (on)o(to)e(an)h(ev)o(en)h Fp(k)q Fs(-grid)g(of)f(0)p Fp(:)p Fs(05)1025 1309 y(\027)1025 1317 y(A)1057 1288 y Fd(\000)p Fk(1)1121 1317 y Fs(b)q(efore)g(b)q(eing)i(used.)91 1380 y(Output)h(\014les)h(in)g(the)f(ASCI)q(I)h(format)e(will)j(eac)o (h)e(con)o(tain)g(only)g(one)g(set)g(of)g(data,)f(and)h(will)i(b)q(e)f (named)0 1435 y(according)i(to)f(the)g(requested)h(\014le)h(name,)f (the)f(con)o(ten)o(ts)g(of)g(data,)h(and)f(the)h(space)g(in)g(whic)o(h) g(the)g(data)e(is)0 1490 y(written.)f(If)11 b(the)f(user)h(sp)q (eci\014es)h(the)f(output)f(\014le)h(name)f(b)o(y)h Fl(out)23 b(=)h(Test)o Fs(,)11 b(the)g(output)f(\014les)h(will)h(b)q(e)f Fo(Testk.dat)t Fs(,)0 1544 y Fo(Testr.dat)t Fs(,)j(and)h Fo(Testq.dat)j Fs(for)13 b(the)i(data)e Fp(\037)p Fs(\()p Fp(k)q Fs(\),)20 b(~)-29 b Fp(\037)q Fs(\()p Fp(R)p Fs(\),)13 b(and)20 b(~)-29 b Fp(\037)q Fs(\()p Fp(k)q Fs(\),)13 b Fo(Testk.fit)19 b Fs(and)14 b Fo(Testr.fit)k Fs(for)c(the)0 1599 y(full)20 b(\014t)f Fp(\037)p Fs(\()p Fp(k)q Fs(\),)24 b(~)-28 b Fp(\037)p Fs(\()p Fp(R)p Fs(\),)18 b(and)25 b(~)-29 b Fp(\037)q Fs(\()p Fp(k)q Fs(\),)18 b(and)h Fo(Testk.nnn)k Fs(and)c Fo(Testr.nnn)j Fs(for)c(the)h Fp(\037)p Fs(\()p Fp(k)q Fs(\),)25 b(~)-29 b Fp(\037)q Fs(\()p Fp(R)p Fs(\),)18 b(and)24 b(~)-28 b Fp(\037)p Fs(\()p Fp(k)q Fs(\)from)0 1653 y(path)17 b Fo(nnn)5 b Fs(.)25 b(Files)18 b(for)f(the)g(complex)h(data)e(of)22 b(~)-28 b Fp(\037)p Fs(\()p Fp(R)p Fs(\))16 b(and)23 b(~)-29 b Fp(\037)q Fs(\()p Fp(k)q Fs(\))16 b(will)j(ha)o(v)o(e)e (\014v)o(e)g(columns.)26 b(The)17 b(\014rst)g(column)0 1708 y(will)i(con)o(tain)f(the)g(abscissa)g(\(either)g Fp(R)f Fs(or)g Fp(k)q Fs(\),)h(follo)o(w)o(ed)g(b)o(y)f(columns)i(of)e (real,)h(imaginary)l(,)g(amplitude,)i(and)0 1762 y(phase)c(of)e(the)i (complex)g(data.)p eop %%Page: 5 6 5 5 bop 0 100 a Fq(Chapter)22 b(3)1638 b Fn(5)p 0 118 1950 2 v 0 245 a Fm(Keyw)n(ords)24 b(and)g(Con)n(trols)g(for)g (FEFFIT.INP)0 491 y Ff(3.1)90 b(General)21 b(F)-5 b(ormat)20 b(of)f(FEFFIT.INP)91 556 y Fs(Input)14 b(commands)f(to)g Fr(feffit)h Fs(will)h(b)q(e)f(read)g(from)e(the)i(\014le)g Fo(feffit.inp)t Fs(.)19 b(These)14 b(inputs)g(will)h(name)f(the)0 611 y(data)e(\014les)h(and)g(the)g Fo(feffnnnn.dat)j Fs(\014les)d(to)f(use)h(for)f(eac)o(h)g(path,)h(describ)q(e)h(what)e (to)g(v)m(ary)g(in)i(the)e(\014t,)h(and)f(ho)o(w)0 665 y(the)i(v)m(ariables)h(will)g(alter)f(these)g(XAFS)f(con)o(tribution)i (from)e(eac)o(h)h(path.)19 b Fr(feffit)14 b Fs(uses)g(k)o(eyw)o(ords)f (to)g(describ)q(e)0 720 y(and)21 b(assign)h(v)m(alues)g(to)e(all)i (program)e(parameters.)37 b(The)22 b(use)f(of)g(k)o(eyw)o(ords)f(allo)o (ws)h(the)g(input)i(\014le)f(to)e(b)q(e)0 774 y(easily)c(read)f(and)g (the)g(v)m(alues)h(of)f(the)g(program)f(parameters)g(to)g(b)q(e)i (easily)g(mo)q(di\014ed.)21 b(The)15 b(k)o(eyw)o(ords)g(usually)0 829 y(ha)o(v)o(e)20 b(fairly)i(transparen)o(t)e(meanings.)37 b(Most)20 b(program)g(parameters)g(are)g(assigned)i(v)m(alues)g(with)f (k)o(eyw)o(ord)0 883 y(\\sen)o(tences")15 b(whic)o(h)h(ha)o(v)o(e)f (syn)o(tax:)91 948 y Fl(keyword)23 b Fi(h)p Fs(delimiter)q Fi(i)h Fl(value)p Fs(.)0 1013 y(The)17 b Fl(keyword)f Fs(m)o(ust)g(b)q(e)h(one)g(of)f(the)h(v)m(alid)h(k)o(eyw)o(ords)e (listed)i(b)q(elo)o(w.)24 b(The)17 b Fi(h)p Fs(delimiter)r Fi(i)f Fs(is)h(an)g(equal)g(sign)g(or)0 1068 y(white)f(space)g(\(a)f (blank)i(or)e(T)l(AB\))h(surrounded)g(b)o(y)g(an)o(y)f(n)o(um)o(b)q(er) i(of)e(white)h(spaces.)22 b(The)16 b Fl(value)f Fs(is)h(pro)o(vided)0 1122 y(b)o(y)f(the)g(user)f(and)h(will)i(b)q(e)e(in)o(terpreted)h(as)e (a)g(n)o(um)o(b)q(er,)h(a)g(logical)h(\015ag,)e(or)g(a)h(c)o(haracter)f (string,)g(dep)q(ending)j(on)0 1177 y(the)g(nature)h(of)f(the)g(k)o (eyw)o(ord)f(|)i(the)g(list)g(b)q(elo)o(w)g(will)h(indicate)g(what)d (kind)j(of)e(v)m(alue)h(eac)o(h)g(k)o(eyw)o(ord)e(tak)o(es.)0 1231 y(Logical)k(\015ags)f(all)g(ha)o(v)o(e)g(v)m(alues)h Fl(true)e Fs(or)h Fl(false)f Fs(\()p Fl(t)h Fs(and)g Fl(f)g Fs(will)h(w)o(ork,)f(to)q(o\).)30 b(If)19 b(a)g(k)o(eyw)o(ord's) f Fl(value)g Fs(is)h(a)0 1286 y(n)o(um)o(b)q(er)d(or)g(logical)h (\015ag)f(\(but)g(not)f(a)h(c)o(haracter)g(string\),)f(the)h(assigning) h(k)o(eyw)o(ord)e(sen)o(tence)i(can)f(b)q(e)h(put)f(on)0 1340 y(the)k(same)g(line)i(as)d(other)h(n)o(umerical)h(and)g(logical)g (k)o(eyw)o(ord)e(sen)o(tences.)35 b(Keyw)o(ords)20 b(that)f(tak)o(e)h (c)o(haracter)0 1395 y(strings)15 b(as)g(their)h(v)m(alue)g(m)o(ust)f (o)q(ccur)g(on)g(their)h(o)o(wn)f(line.)91 1460 y Fr(feffit)20 b Fs(do)q(es)f(not)g(distinguish)i(k)o(eyw)o(ords,)d(v)m(ariable)j (names)d(or)h(c)o(haracter)f(strings)h(con)o(taining)h(Math)0 1515 y(Expressions)e(b)o(y)f(case.)26 b(T)l(o)17 b(accommo)q(date)f (man)o(y)h(op)q(erating)h(systems,)f(it)g(do)q(es)h(distinguish)h(the)e (names)g(of)0 1569 y(external)i(\014les)g(b)o(y)f(case.)30 b(Keyw)o(ord)18 b(sen)o(tences)h(are)f(allo)o(w)o(ed)h(to)e(o)q(ccur)i (in)g(an)o(y)f(order)g(in)i(the)e(\014le.)30 b(In)o(ternal)0 1624 y(commen)o(ts)20 b(can)h(b)q(e)g(written)f(an)o(ywhere)h(in)g Fo(feffit.inp)t Fs(,)g(including)i(end-of-line)g(commen)o(ts.)35 b(Inputs)22 b(to)0 1678 y Fr(feffit)e Fs(can)g(b)q(e)f(read)h(from)e (\014les)i(other)f(than)g Fo(feffit.inp)k Fs(b)o(y)c(using)h(a)f(k)o (eyw)o(ord)g(sen)o(tence)h(of)e(the)i(form)0 1733 y(\\)p Fl(include)j(myfile.inp)p Fs(")14 b(inside)k Fo(feffit.inp)t Fs(.)k(This)17 b(allo)o(ws)f(commonly)g(used)h(assignmen)o(ts)f(\(suc)o (h)g(as)g(for)0 1787 y(P)o(ath)e(P)o(arameters\))g(to)g(b)q(e)i(k)o (ept)f(in)h Fo(myfile.inp)j Fs(and)d(to)e(b)q(e)i(used)g(for)f(man)o(y) f(di\013eren)o(t)i(\014ts.)91 1852 y(A)e Fo(feffit.inp)19 b Fs(\014le)c(has)f(quite)h(a)f(bit)h(of)f(structure)g(to)g(it,)g(and)h (the)f(listing)i(of)e(P)o(ath)g(P)o(arameters)f(mak)o(es)0 1907 y(it)i(lo)q(ok)f(a)h(bit)g(lik)o(e)g(a)f(spreadsheet)h(or)f (programming)g(language.)20 b(Because)15 b(of)f(this)h(built-in)i (structure,)d(a)g(to)q(ol)0 1961 y(can)j(b)q(e)h(dev)o(elop)q(ed)h(to)e (help)h(write)f(the)h Fo(feffit.inp)j Fs(\014les.)27 b(One)17 b(suc)o(h)h(to)q(ol)f(exists)h(in)g(the)f(form)f(of)h(sp)q (ecial)0 2016 y(macros)12 b(\(called)i Fr(feffit.el)p Fs(,)g(written)f(b)o(y)f(Bruce)h(Ra)o(v)o(el,)h(and)f(part)f(of)g(the)h Fr(uwxafs3.0)f Fs(distribution\))i(for)e(the)0 2070 y(Emacs)h(text)g (editor.)20 b(It's)13 b(quite)h(useful,)h(and)f(if)g(y)o(ou)f(use)h (Emacs,)f(I)h(highly)h(recommend)f(trying)g(it.)20 b(I)14 b(hesitate)0 2125 y(to)h(sa)o(y)f(that)h(y)o(ou)f(should)j(learn)e (Emacs)g(just)g(to)g(use)g(these)h(macros,)e(but)h(it's)g(a)g(v)o(ery)g (go)q(o)q(d)g(editor)g(an)o(yw)o(a)o(y)l(.)91 2190 y(There)h(is)g(some) g(syn)o(tax)f(c)o(hec)o(king)h(in)h Fr(feffit)p Fs(,)f(and)g(if)h(it)f (gets)f(confused)h(b)o(y)g(an)o(y)f(inputs,)i(it)f(will)h(rep)q(ort)0 2244 y(this)j(as)f(a)f(run-time)j(message,)e(telling)i(whic)o(h)f(line) h(of)e(the)g(input)h(\014le)h(caused)e(the)h(confusion,)g(and)g(trying) 0 2299 y(to)e(describ)q(e)h(whic)o(h)g(w)o(ords)f(it)g(did)i(not)d (understand.)30 b(There)18 b(is)h(also)f(some)g(syn)o(tax)f(c)o(hec)o (king)i(of)f(the)g(math)0 2354 y(expressions)f(used)g(and)f(the)g(v)m (ariables)i(de\014ned.)24 b(The)16 b(syn)o(tax)g(c)o(hec)o(king)h (isn't)f(fo)q(olpro)q(of,)g(but)g(it)h(do)q(es)f(catc)o(h)0 2408 y(the)f(most)g(simple)h(mistak)o(es.)0 2503 y Ff(3.2)90 b(Summary)22 b(of)d(Keyw)n(ords)91 2568 y Fs(Here)d(is)h(a)f(brief)h (list)g(of)f(all)h(the)f(k)o(eyw)o(ords)f(for)h(all)h(the)f(program)f (con)o(trols)h(and)h(parameters)e(in)i Fr(feffit)0 2623 y Fs(with)j(a)g(brief)h(description)g(of)f(the)g(meaning)g(of)g(their)h (v)m(alues.)35 b(The)20 b(form)f(of)h(the)g(v)m(alues)h(tak)o(en)f(b)o (y)g(these)0 2677 y(k)o(eyw)o(ords)c(are)g(indicated)i(b)o(y)e(c,)h(n,) g(or)f(l)h(for)e(c)o(haracter)h(strings,)g(n)o(um)o(b)q(ers,)h(and)g (logical)g(\015ags,)f(resp)q(ectiv)o(ely)l(.)0 2732 y(Where)k (appropriate,)g(v)m(alid)i(options)e(for)f(the)h(v)m(alues)h(are)e(giv) o(en)h(in)h(paren)o(theses)f(and)g(default)g(v)m(alues)h(are)0 2786 y(giv)o(en)16 b(in)g(brac)o(k)o(ets.)j(The)c(follo)o(wing)h (sections)g(giv)o(e)f(more)g(detailed)i(explanations)f(for)e(eac)o(h)i (k)o(eyw)o(ord.)p eop %%Page: 6 7 6 6 bop 0 100 a Fr(feffit)486 b Fg(Keyw)o(ords)15 b(and)g(Con)o(trols)g (for)f(FEFFIT.INP)485 b Fn(6)p 0 118 1950 2 v 40 245 a(General/Miscellaneous:)172 314 y Fl(\045)p Fs(/)p Fl(!)160 b Fs(-)142 b(End-of-Line)17 b(Commen)o(t:)i(ignore)c(ev)o(erything)h (on)f(the)g(line)i(after)d Fl(\045)h Fs(or)g Fl(!)172 369 y(#)207 b Fs(-)142 b(Commen)o(t)14 b(Line:)21 b(ignore)16 b(line)h(if)e Fl(#)g Fs(is)h(in)g(1st)e(column)172 423 y Fl(End)159 b Fs(-)142 b(End-of-File:)21 b(ignore)15 b(rest)g(of)g(input)h(\014le,)g(start)e(\014tting)172 478 y Fl(Include)63 b Fs(c)137 b(name)15 b(of)g(\014le)h(to)e(read)h (more)g(input)h(commands)f(from)261 b([none])40 546 y Fn(Data)19 b(Input)f(and)g(Output:)172 615 y Fl(Title)111 b Fs(c)137 b(Title)16 b(line)h(to)d(write)h(to)g(output)g(\014les)583 b([none])172 669 y Fl(Formin)87 b Fs(c)137 b(File)16 b(F)l(ormat)e(of)g(input)j(data)d(\014le)81 b(\(u)o(w/ascii\))15 b([found)g(from)f(input)j(data])172 724 y Fl(Formout)63 b Fs(c)137 b(File)16 b(F)l(ormat)e(of)g(output)h(data)g(\014le)74 b(\(u)o(w/ascii\))15 b([same)f(as)h(input)h(format])172 778 y Fl(Format)87 b Fs(c)137 b(File)16 b(F)l(ormat)e(of)g(b)q(oth)i (input)g(and)f(output)g(data)g(\014le)87 b(\(u)o(w/ascii\))15 b([none])172 833 y Fl(Data)135 b Fs(c)i(Name)15 b(of)f(input)j(data)d (\014le)i(\(con)o(taining)g Fp(\037)p Fs(\()p Fp(k)q Fs(\)\))406 b([none])172 887 y Fl(Out)159 b Fs(c)137 b(Name)15 b(of)f(output)h(data)g(\014le)558 b([same)14 b(as)h(input])172 942 y Fl(Allout)87 b Fs(l)145 b(Flag)14 b(for)h(writing)h(outputs)f(for)f(all)i(individual)j(paths)205 b(\(T/F\))14 b([T])172 997 y Fl(Kspout)87 b Fs(l)145 b(Flag)14 b(for)h(writing)h Fp(\037)p Fs(\()p Fp(k)q Fs(\))f(output)g(\014les)499 b(\(T/F\))14 b([T])172 1051 y Fl(Rspout)87 b Fs(l)145 b(Flag)14 b(for)h(writing)21 b(~)-28 b Fp(\037)p Fs(\()p Fp(R)p Fs(\))15 b(output)g(\014les)489 b(\(T/F\))14 b([T])172 1106 y Fl(Qspout)87 b Fs(l)145 b(Flag)14 b(for)h(writing)21 b(~)-28 b Fp(\037)p Fs(\()p Fp(k)q Fs(\))15 b(output)g(\014les)499 b(\(T/F\))14 b([T])172 1160 y Fl(Rlast)111 b Fs(l)145 b(Maxim)o(um)14 b Fp(R)p Fs(-v)m(alue)j(for)j(~)-29 b Fp(\037)q Fs(\()p Fp(R)p Fs(\))14 b(output)h(\014le)472 b([10.0])40 1229 y Fn(Fitting)20 b(Con)o(trol)d(Flags:)172 1297 y Fl(Rspfit)87 b Fs(l)145 b(Flag)14 b(for)h(\014tting)g(in)h Fp(R)p Fs(-space)654 b(\(T/F\)[T])172 1352 y Fl(Qspfit)87 b Fs(l)145 b(Flag)14 b(for)h(\014tting)g(in)h(bac)o(ktransformed)f Fp(k)q Fs(-space)321 b(\(T/F\)[F])172 1406 y Fl(Nodegen)63 b Fs(l)145 b(Flag)14 b(for)h(not)g(using)h(the)f(P)o(ath)g(Degeneracies)h (from)e Fr(feff)p Fs(.)126 b(\(T/F\)[F])172 1461 y Fl(Noout)111 b Fs(l)145 b(Flag)14 b(for)h(not)g(writing)h(an)o(y)e(output)h(data)g (\014les)351 b(\(T/F\)[F])172 1516 y Fl(Nofit)111 b Fs(l)145 b(Flag)14 b(for)h(not)g(\014tting,)g(use)g(initial)j(guesses)d(as)g (\014nal)h(v)m(alues)129 b(\(T/F\)[F])172 1570 y Fl(Norun)111 b Fs(l)145 b(Flag)14 b(for)h(not)g(\014tting)g(and)h(not)e(writing)i (output)f(\014les)235 b(\(T/F\)[F])40 1639 y Fn(F)l(ourier)17 b(T)l(ransform)f(P)o(arameters)g(and)i(Fitting)h(Ranges:)172 1707 y Fl(Rmin)135 b Fs(n)d Fp(R)595 1714 y Fk(min)672 1707 y Fs(for)14 b Fp(R)p Fs(-space)i(\014t)f(and)g Fp(R)e Fi(!)g Fp(k)j Fs(FT)558 b([0.0])172 1762 y Fl(Rmax)135 b Fs(n)d Fp(R)595 1769 y Fk(max)679 1762 y Fs(for)14 b Fp(R)p Fs(-space)i(\014t)f(and)g Fp(R)e Fi(!)g Fp(k)j Fs(FT)551 b([0.0])172 1816 y Fl(Kmin)135 b Fs(n)d Fp(k)584 1823 y Fk(min)661 1816 y Fs(for)14 b Fp(k)q Fs(-space)i(\014t)f(and)h Fp(k)d Fi(!)g Fp(R)i Fs(FT)336 b([\014rst)15 b(data)f(p)q(oin)o(t])172 1871 y Fl(Kmax)135 b Fs(n)d Fp(k)584 1878 y Fk(max)668 1871 y Fs(for)14 b Fp(k)q Fs(-space)i(\014t)f(and)g Fp(k)f Fi(!)f Fp(R)i Fs(FT)337 b([last)15 b(data)f(p)q(oin)o(t])172 1925 y Fl(Kweight)63 b Fs(n)132 b Fp(k)q Fs(-w)o(eigh)o(t)15 b(for)f Fp(k)g Fi(!)f Fp(R)i Fs(FT)804 b([1.0])172 1980 y Fl(Dk1)159 b Fs(n)132 b(Lo)o(w-)p Fp(k)16 b Fs(Windo)o(w)f(P)o (arameter)f(for)g Fp(k)g Fi(!)f Fp(R)i Fs(FT)449 b([0.0])172 2034 y Fl(Dk2)159 b Fs(n)132 b(High-)p Fp(k)17 b Fs(Windo)o(w)e(P)o (arameter)f(for)g Fp(k)g Fi(!)f Fp(R)i Fs(FT)437 b([0.0])172 2089 y Fl(Dk)183 b Fs(n)132 b(Both)15 b Fl(Dk1)f Fs(and)i Fl(Dk2)906 b Fs([0.0])172 2144 y Fl(Dr1)159 b Fs(n)132 b(Lo)o(w-)p Fp(R)14 b Fs(Windo)o(w)i(P)o(arameter)e(for)g Fp(R)f Fi(!)g Fp(k)j Fs(FT)439 b([0.0])172 2198 y Fl(Dr2)159 b Fs(n)132 b(High-)p Fp(R)15 b Fs(Windo)o(w)h(P)o(arameter)e(for)g Fp(R)f Fi(!)g Fp(k)j Fs(FT)427 b([0.0])172 2253 y Fl(Dr)183 b Fs(n)132 b(Both)15 b Fl(Dr1)f Fs(and)i Fl(Dr2)906 b Fs([0.0])172 2307 y Fl(Ikwindo)63 b Fs(n)132 b(In)o(teger)15 b(to)f(select)i(Windo)o(w)g(F)l(unction)g(for)e Fp(k)g Fi(!)f Fp(R)i Fs(FT)125 b([0,)14 b(Hanning])172 2362 y Fl(Irwindo)63 b Fs(n)132 b(In)o(teger)15 b(to)f(select)i(Windo)o(w)g (F)l(unction)g(for)e Fp(R)f Fi(!)g Fp(k)j Fs(FT)125 b([0,)14 b(Hanning])172 2416 y Fl(Iwindo)87 b Fs(n)132 b(Both)15 b Fl(Ikwindo)f Fs(and)h Fl(Irwindo)555 b Fs([0,)14 b(Hanning])172 2471 y Fl(Mftwrt)87 b Fs(n)132 b(Num)o(b)q(er)15 b(of)g(arra)o(y)f(p)q (oin)o(ts)i(in)g(FFT)e(for)g(writing)i(out)f(data)194 b([2048])172 2525 y Fl(Mftfit)87 b Fs(n)132 b(Num)o(b)q(er)15 b(of)g(arra)o(y)f(p)q(oin)o(ts)i(in)g(FFT)e(for)g(\014t)339 b([512)14 b(or)h(1024])40 2608 y Fn(Error)i(Analysis:)172 2677 y Fl(Epsdat)87 b Fs(n)132 b(Measuremen)o(t)14 b(uncertain)o(t)o(y) i(in)g Fp(\037)p Fs(\()p Fp(k)q Fs(\))289 b([found)16 b(from)e(high-)p Fp(R)p Fs(])172 2731 y Fl(Epsr)135 b Fs(n)d(Measuremen)o(t)14 b(uncertain)o(t)o(y)i(in)21 b(~)-28 b Fp(\037)p Fs(\()p Fp(R)p Fs(\))279 b([found)16 b(from)e(high-)p Fp(R)p Fs(])172 2786 y Fl(Cormin)87 b Fs(n)132 b(Smallest)16 b(correlation)f(to)g(rep)q(ort)g(in)h Fo(feffit.log)t Fs(.)331 b([0.50])p eop %%Page: 7 8 7 7 bop 0 100 a Fr(feffit)486 b Fg(Keyw)o(ords)15 b(and)g(Con)o(trols)g (for)f(FEFFIT.INP)485 b Fn(7)p 0 118 1950 2 v 40 245 a(V)l(ariables)18 b(and)g(User)f(De\014ned)g(F)l(unctions:)403 300 y Fs(Eac)o(h)e(v)m(ariable)i(and)e(User)g(De\014ned)h(F)l(unction)g (m)o(ust)f(b)q(e)h(on)f(its)g(o)o(wn)g(line)172 375 y Fl(Guess)111 b Fs(n)132 b(Initial)17 b(guess)e(for)f(a)h(v)m(ariable) 751 b([0.0])172 430 y Fl(Set)159 b Fs(c)137 b(Math)14 b(Expression)i(F)l(or)e(a)h(User)g(De\014ned)i(F)l(unction)314 b([none])40 505 y Fn(P)o(ath)18 b(P)o(arameters:)403 560 y Fs(Eac)o(h)d(P)o(ath)f(P)o(arameter)g(m)o(ust)h(b)q(e)h(on)f(its) g(o)o(wn)g(line)i(with)e(syn)o(tax)403 614 y Fl(Path)23 b(Parameter)g Fi(h)p Fs(delimiter)r Fi(i)g Fl(Path)g(Index)h Fi(h)p Fs(delimiter)q Fi(i)g Fl(Character)e(String)403 669 y Fs(where)15 b Fl(Path)24 b(Index)14 b Fs(indicates)j(whic)o(h)f (path)f(eac)o(h)g(parameter)g(is)g(assigned)h(to)172 744 y Fl(Path)135 b Fs(c)i(Name)15 b(of)f Fo(feffnnnn.dat)19 b Fs(\014le)d(for)f(this)h(path)420 b([none])172 799 y Fl(Id)183 b Fs(c)137 b(User)15 b(Iden)o(ti\014cation)i(Lab)q(el)f (for)f(this)g(path)474 b([none])172 853 y Fl(S02)159 b Fs(c)137 b(Constan)o(t)14 b(amplitude)i(factor)740 b([1.0])172 908 y Fl(E0)183 b Fs(c)137 b Fp(E)594 915 y Fk(0)629 908 y Fs(shift)1110 b([0.0])172 963 y Fl(Ei)183 b Fs(c)137 b(Imaginary)15 b(energy)g(shift)h(\(broadening\))546 b([0.0])172 1017 y Fl(Delr)135 b Fs(c)i(\001)p Fp(R)p Fs(,)14 b(or)h(1st)f(cum)o(ulan)o(t)853 b([0.0])172 1072 y Fl(Sigma2)87 b Fs(c)137 b(mean-square)15 b(displacemen)o(t)i(of)d (path)h(distance,)h Fp(\033)1471 1055 y Fk(2)1826 1072 y Fs([0.0])172 1126 y Fl(Third)111 b Fs(c)137 b(Third)15 b(Cum)o(ulan)o(t)941 b([0.0])172 1181 y Fl(Fourth)87 b Fs(c)137 b(F)l(ourth)14 b(Cum)o(ulan)o(t)920 b([0.0])0 1418 y Ff(3.3)90 b(General)21 b(and)f(Miscellaneous)i(Keyw)n(ords)75 1535 y Fl(\045)i Fs(or)14 b Fl(!)173 b Fs(indicates)16 b(a)e(commen)o(t)g(an)o(ywhere)g(in)h Fo(feffit.inp)t Fs(,)f(including)j(end-of-line)g(commen)o(ts.)75 1611 y Fl(*)24 b Fs(or)14 b Fl(#)173 b Fs(indicates)17 b(a)e(commen)o(t)f (line)j(in)f Fo(feffit.inp)j Fs(if)d(it)f(is)h(the)f(\014rst)g(c)o (haracter)g(on)g(the)g(line.)75 1686 y Fl(End)228 b Fs(stop)15 b(reading)g(inputs,)h(and)g(ignore)f(ev)o(erything)h(in)g Fo(feffit.inp)j Fs(after)14 b(this)i(line.)75 1762 y Fl(Include)132 b Fs(read)17 b(more)g(inputs)h(from)f(another)g(\014le.) 27 b(The)17 b(syn)o(tax)g(is)33 b Fl(include)23 b(myfile.inp)n Fs(,)18 b(and)375 1816 y(can)e(b)q(e)i(used)e(in)i Fo(feffit.inp)i Fs(for)c(standard)g(de\014nitions,)i(or)d(to)h(break)g(up)h(long)g (input)375 1871 y(\014les.)k(If)15 b(y)o(ou're)g(\014tting)g(lots)g(of) g(similar)h(data)f(sets,)f(y)o(ou)h(ma)o(y)g(\014nd)h(this)f(useful.)0 2050 y Ff(3.4)90 b(Data)20 b(Input)h(and)f(Output)h(Keyw)n(ords)75 2167 y Fl(Title)180 b Fs(user-c)o(hosen)15 b(title)h(line)g(whic)o(h)g (will)g(b)q(e)g(written)f(to)f(the)h(output)f(\014les.)21 b(10)14 b(title)h(lines)i(can)375 2221 y(b)q(e)i(used,)h(eac)o(h)f(of)f (up)h(to)f(70)g(c)o(haracters.)29 b(Ev)o(erything)19 b(on)g(a)f(line)i(after)e(the)h(k)o(eyw)o(ord)375 2276 y Fl(title)14 b Fs(will)j(b)q(e)f(included)i(in)e(the)f(title,)h(ev)o (en)f(if)h(it)g(con)o(tains)f(other)g(k)o(eyw)o(ords.)75 2356 y Fl(Formin)156 b Fs(\014le)14 b(format)e(to)g(use)h(for)f(the)h (input)h(data)f(\014les.)20 b(The)13 b(c)o(hoices)h(are)e(UWXAFS)h(and) g(ASCI)q(I.)375 2410 y(See)i(c)o(hapter)f(2)g(and)h(the)f Fr(uwxafs3.0)g Fs(do)q(cumen)o(t)g(on)h(data)e(\014les)j(for)d(more)h (details.)21 b(The)375 2465 y(default)c(is)g(for)f Fr(feffit)h Fs(to)f(\014nd)h(the)f(input)i(format)d(itself,)i(from)f(the)g(input)i (data.)k(This)375 2519 y(do)q(es)16 b(not)e(need)i(to)f(b)q(e)h(on)f (its)g(o)o(wn)g(line.)75 2599 y Fl(Formout)132 b Fs(\014le)21 b(format)e(to)h(use)g(for)g(the)g(output)g(data)g(\014les.)36 b(The)20 b(c)o(hoices)i(are)d(the)i(same)f(as)g(for)375 2654 y Fl(Formin)p Fs(,)f(and)g(the)h(default)g(is)f(to)g(use)g(the)h (format)e(used)h(as)g(the)h(input)g(format.)30 b(This)375 2708 y(do)q(es)16 b(not)e(need)i(to)f(b)q(e)h(on)f(its)g(o)o(wn)g (line.)75 2788 y Fl(Format)156 b Fs(sets)15 b(b)q(oth)g Fl(Formin)g Fs(and)g Fl(Formout)p Fs(.)p eop %%Page: 8 9 8 8 bop 0 100 a Fr(feffit)486 b Fg(Keyw)o(ords)15 b(and)g(Con)o(trols)g (for)f(FEFFIT.INP)485 b Fn(8)p 0 118 1950 2 v 75 245 a Fl(Data)204 b Fs(input)17 b(data)f(\014le)i(name.)23 b(F)l(or)16 b(UWXAFS)g(format)f(\014les,)i(either)g(the)g(nk)o(ey)f(or) g(sk)o(ey)h(m)o(ust)375 300 y(also)e(b)q(e)h(giv)o(en,)f(so)g(that)g (the)g(syn)o(tax)f(m)o(ust)h(b)q(e)h(something)f(lik)o(e:)648 355 y Fl(Data)23 b(=)h(cu.chi,)f(1)g Fs(or)h Fl(Chi)f(=)h(cu.chi)f(,)h (TROUT)p Fs(.)375 418 y(F)l(or)16 b(ASCI)q(I)i(input)g(data)e(format,)g (only)h(the)g(input)h(\014le)g(name)f(is)g(needed.)27 b(This)17 b(should)375 473 y(b)q(e)f(on)f(its)g(o)o(wn)g(line.)75 545 y Fl(Out)228 b Fs(pre\014x)11 b(for)e(the)h(output)g(\014le)i (name.)18 b(See)11 b(c)o(hapter)f(2)f(for)h(more)g(details,)h(and)g(an) f(explanation)375 600 y(of)15 b(the)g(\014le)h(name)f(su\016xes.)21 b(This)15 b(do)q(es)h(not)f(need)h(to)e(b)q(e)i(on)f(its)h(o)o(wn)e (line.)75 672 y Fl(Allout)156 b Fs(logical)19 b(\015ag)e(for)f(writing) i(output)f(data)g(for)g(the)g(individual)j(paths)e(to)e(all)i(output)g (data)375 727 y(\014les.)j(The)15 b(default)h(is)g(T)l(rue.)75 800 y Fl(Kspout)156 b Fs(logical)18 b(\015ag)e(for)g(writing)h(output)g (data)f Fp(\037)p Fs(\()p Fp(k)q Fs(\),)g(the)h(XAFS)f(in)i (un\014ltered)g Fp(k)q Fs(-space.)25 b(The)375 854 y(default)16 b(is)f(T)l(rue.)75 927 y Fl(Rspout)156 b Fs(logical)17 b(\015ag)e(for)g(writing)h(output)g(data)k(~)-28 b Fp(\037)p Fs(\()p Fp(R)p Fs(\),)15 b(the)h(XAFS)f(in)i Fp(R)p Fs(-space.)k(The)16 b(default)g(is)375 981 y(T)l(rue.)75 1054 y Fl(Qspout)156 b Fs(logical)12 b(\015ag)e(for)f(writing)i(output)f(data)15 b(~)-28 b Fp(\037)p Fs(\()p Fp(k)q Fs(\),)11 b(the)f(XAFS)h(in)g(bac)o (ktransformed)e(or)h(\014ltered)375 1108 y Fp(k)q Fs(-space.)20 b(The)c(default)g(is)f(T)l(rue.)75 1182 y Fl(Rlast)180 b Fs(last)14 b Fp(R)h Fs(v)m(alue)g(for)f(whic)o(h)h(output)f(data)20 b(~)-29 b Fp(\037)q Fs(\()p Fp(R)p Fs(\))13 b(will)j(b)q(e)f(written.) 20 b(The)15 b(default)g(is)g(10)p Fp(:)p Fs(0)1903 1174 y(\027)1903 1182 y(A.)375 1237 y(Output)h Fp(k)q Fs(-space)f(data)g (will)i(b)q(e)f(written)f(o)o(v)o(er)f(the)h(input)i(data)d Fp(k)q Fs(-range.)0 1371 y Ff(3.5)90 b(Fitting)20 b(Con)n(trol)g(Flags) 75 1467 y Fl(Rspfit)156 b Fs(logical)16 b(\015ag)f(for)g(\014tting)g (in)h Fp(R)p Fs(-space.)k(The)c(default)g(is)f(T)l(rue.)75 1535 y Fl(Qspfit)156 b Fs(logical)16 b(\015ag)f(for)g(\014tting)g(in)h (bac)o(ktransformed)e Fp(k)q Fs(-space.)21 b(The)15 b(default)h(is)g(F) l(alse.)75 1603 y Fl(Nodegen)132 b Fs(logical)12 b(\015ag)f(for)f (ignoring)i(the)e(path)h(degeneracies)h(in)g(all)g(the)f Fo(feffnnnn.dat)j Fs(\014les,)f(e\013ec-)375 1657 y(tiv)o(ely)g (setting)g(all)h(degeneracies)g(to)e(1.)18 b(The)13 b(default)g(is)h(F) l(alse,)f(so)f(that)g(the)h(degeneracies)375 1712 y(in)j(the)f Fo(feffnnnn.dat)k Fs(\014les)d(are)f(used.)75 1784 y Fl(Nofit)180 b Fs(logical)18 b(\015ag)e(for)h(skipping)h(the)f(\014t,)f (so)h(that)f(the)h(initial)i(guesses)d(of)h(v)m(ariables)h(are)e(used) 375 1839 y(as)d(\014nal)h(v)m(alues.)21 b(The)13 b(log)h(\014le)g(and)g (data)f(outputs)g(are)g(written.)19 b(This)14 b(is)g(useful)h(for)d(y)o (our)375 1893 y(o)o(wn)17 b(error)g(c)o(hec)o(king,)h(and)g(e\013ectiv) o(ely)g(c)o(hanges)g(all)g Fl(guess)p Fs(es)f(to)g Fl(set)p Fs(.)26 b(The)17 b(default)h(is)375 1948 y(F)l(alse,)d(so)g(that)f (\014tting)i(is)g(done.)75 2021 y Fl(Noout)180 b Fs(logical)19 b(\015ag)e(for)f(not)h(writing)h(an)o(y)f(data)g(\014le)h(outputs.)26 b(The)18 b(default)g(is)g(F)l(alse,)g(so)f(that)375 2075 y(outputs)e(are)g(written.)75 2148 y Fl(Norun)180 b Fs(logical)16 b(\015ag)f(for)f(b)q(oth)h(skip)h(\014tting)f(and)g(not)g(writing)g(an) o(y)g(data)f(\014le)i(outputs.)k(This)15 b(has)375 2202 y(the)g(same)g(e\013ect)g(as)g(setting)g(b)q(oth)g Fl(Nofit)g Fs(and)g Fl(Noout)p Fs(.)0 2337 y Ff(3.6)90 b(F)-5 b(ourier)20 b(T)-5 b(ransform)20 b(P)n(arameters)h(and)f(Fitting)g(Ranges)75 2432 y Fl(Rmin)204 b Fs(lo)o(w-)p Fp(R)19 b Fs(v)m(alue)h(of)e(the)h Fp(R)p Fs(-space)g(range)f(for)h(either)g Fp(R)p Fs(-space)g(\014t)g (or)f(for)g Fp(R)h Fi(!)g Fp(k)h Fs(F)l(ourier)375 2487 y(T)l(ransform.)f(The)c(default)h(is)g(0.)75 2559 y Fl(Rmax)204 b Fs(high-)p Fp(R)18 b Fs(v)m(alue)h(of)f(the)f Fp(R)p Fs(-space)h(range)f(for)g(either)i Fp(R)p Fs(-space)f(\014t)f(or)g(for) g Fp(R)g Fi(!)g Fp(k)i Fs(F)l(ourier)375 2614 y(T)l(ransform.)g(The)c (default)h(is)g(0.)75 2686 y Fl(Kmin)204 b Fs(lo)o(w-)p Fp(k)21 b Fs(v)m(alue)f(of)f(the)h Fp(k)q Fs(-space)g(range)f(for)f(b)q (oth)i Fp(k)q Fs(-space)g(\014t)f(\(for)g(\014ts)g(to)g(un\014ltered)h (or)375 2741 y(\014ltered)c(data\))d(and)i(for)f Fp(k)g Fi(!)f Fp(R)h Fs(F)l(ourier)h(T)l(ransform.)k(The)c(default)g(is)g(the) g(\014rst)f Fp(k)q Fs(-v)m(alue)375 2796 y(of)h(the)g(data.)p eop %%Page: 9 10 9 9 bop 0 100 a Fr(feffit)486 b Fg(Keyw)o(ords)15 b(and)g(Con)o(trols)g (for)f(FEFFIT.INP)485 b Fn(9)p 0 118 1950 2 v 75 245 a Fl(Kmax)204 b Fs(high-)p Fp(k)20 b Fs(v)m(alue)f(of)f(the)g Fp(k)q Fs(-space)h(range)e(for)h(b)q(oth)g Fp(k)q Fs(-space)h(\014t)f (\(for)f(\014ts)h(to)f(un\014ltered)i(or)375 300 y(\014ltered)d(data\)) f(and)g(for)g Fp(k)f Fi(!)f Fp(R)i Fs(F)l(ourier)h(T)l(ransform.)j(The) c(default)h(is)g(the)f(last)g Fp(k)q Fs(-v)m(alue)375 355 y(of)g(the)g(data.)75 430 y Fl(Kweight)132 b Fp(k)q Fs(-w)o(eigh)o(ting)16 b(for)e(the)i Fp(k)d Fi(!)g Fp(R)i Fs(F)l(ourier)h(T)l(ransform.)j(The)c(default)h(is)g(1.)75 500 y Fl(Dk1)228 b Fs(lo)o(w-)p Fp(k)23 b Fs(F)l(ourier)e(T)l(ransform) g(Windo)o(w)h(P)o(arameter)e(\(windo)o(w)h(\\sill"\))i(for)e(the)g Fp(k)j Fi(!)g Fp(R)375 555 y Fs(F)l(ourier)15 b(T)l(ransform.)k(The)d (default)g(is)f(0.0.)75 630 y Fl(Dk2)228 b Fs(high-)p Fp(k)22 b Fs(F)l(ourier)e(T)l(ransform)f(Windo)o(w)h(P)o(arameter)f (\(windo)o(w)h(\\sill"\))h(for)e(the)h Fp(k)i Fi(!)f Fp(R)375 684 y Fs(F)l(ourier)15 b(T)l(ransform.)k(The)d(default)g(is)f (0.0.)75 759 y Fl(Dk)252 b Fs(sets)15 b(b)q(oth)g Fl(Dk1)g Fs(and)g Fl(Dk2)g Fs(to)g(the)g(same)g(v)m(alue.)21 b(The)15 b(default)h(is)g(0.0.)75 830 y Fl(Dr1)228 b Fs(lo)o(w-)p Fp(R)21 b Fs(F)l(ourier)g(T)l(ransform)e(Windo)o(w)i(P)o(arameter)f (\(windo)o(w)g(\\sill"\))i(for)e(the)h Fp(R)h Fi(!)g Fp(k)375 884 y Fs(F)l(ourier)15 b(T)l(ransform.)k(The)d(default)g(is)f (0.0.)75 959 y Fl(Dr2)228 b Fs(high-)p Fp(R)20 b Fs(F)l(ourier)f(T)l (ransform)g(Windo)o(w)g(P)o(arameter)f(\(windo)o(w)h(\\sill"\))h(for)f (the)g Fp(R)g Fi(!)h Fp(k)375 1014 y Fs(F)l(ourier)15 b(T)l(ransform.)k(The)d(default)g(is)f(0.0.)75 1089 y Fl(Dr)252 b Fs(sets)15 b(b)q(oth)g Fl(Dr1)g Fs(and)g Fl(Dr2)g Fs(to)g(the)g(same)g(v)m(alue.)21 b(The)15 b(default)h(is)g (0.0.)75 1159 y Fl(Ikwindo)132 b Fs(in)o(teger)22 b(index)h(to)e(sp)q (ecify)i(whic)o(h)f(of)f(the)h(p)q(ossible)h(Windo)o(w)f(T)o(yp)q(es)g (to)f(use)h(for)f(the)375 1214 y Fp(k)15 b Fi(!)g Fp(R)h Fs(F)l(ourier)g(T)l(ransform.)22 b(The)16 b(default)h(is)f(0,)g (indicating)i(Hanning)f(Windo)o(ws.)22 b(See)375 1268 y(c)o(hapter)15 b(6)g(for)f(details,)i(and)g(a)f(complete)g(list)h(of)f (p)q(ossible)i(Windo)o(w)e(T)o(yp)q(es.)75 1343 y Fl(Irwindo)132 b Fs(in)o(teger)22 b(index)h(to)e(sp)q(ecify)i(whic)o(h)f(of)f(the)h(p) q(ossible)h(Windo)o(w)f(T)o(yp)q(es)g(to)f(use)h(for)f(the)375 1398 y Fp(R)14 b Fi(!)h Fp(k)i Fs(F)l(ourier)f(T)l(ransform.)22 b(The)16 b(default)h(is)f(0,)g(indicating)i(Hanning)f(Windo)o(ws.)22 b(See)375 1453 y(c)o(hapter)15 b(6)g(for)f(details,)i(and)g(a)f (complete)g(list)h(of)f(p)q(ossible)i(Windo)o(w)e(T)o(yp)q(es.)75 1528 y Fl(Iwindo)156 b Fs(sets)15 b(b)q(oth)g Fl(Ikwindo)f Fs(and)i Fl(Irwindo)p Fs(.)j(The)c(default)h(is)g(0.)75 1598 y Fl(Mftfit)156 b Fs(n)o(um)o(b)q(er)14 b(of)f(p)q(oin)o(ts)g(to)g (use)h(in)g(the)f(FFT)g(when)h(doing)g(the)f(FFT)g(for)f(the)i(actual)f (\014t.)19 b(This)375 1653 y(a\013ects)g(the)g Fp(R)p Fs(-spacing)i(b)q(et)o(w)o(een)f(data)f(p)q(oin)o(ts)h Fp(\016)r(R)f Fs(=)i(10)p Fp(\031)r(=)p Fl(MFTFIT)m Fs(.)33 b(The)20 b(default)g(is)375 1707 y(the)d(smallest)g(p)q(o)o(w)o(er)f (of)g(2)g(suc)o(h)h(that)e(there)i(are)f(not)g(less)h(than)g Fp(N)1567 1714 y Fk(idp)1635 1707 y Fs(p)q(oin)o(ts)g(in)h(the)e(\014t) 375 1762 y Fp(R)p Fs(-range.)k Fl(MFTFIT)15 b Fs(will)i(b)q(e)f(reset)f (to)g(a)g(p)q(o)o(w)o(er)g(of)g(2.)20 b(This)c(will)h(a\013ect)e(the)g (sp)q(eed)i(of)e(the)375 1816 y(calculation,)h(but)g(shouldn't)g (substan)o(tially)g(c)o(hange)f(the)g(\014t)g(results.)75 1891 y Fl(Mftwrt)156 b Fs(the)14 b(n)o(um)o(b)q(er)h(of)f(p)q(oin)o(ts) g(to)g(use)g(in)h(the)g(F)l(ourier)f(T)l(ransform)f(when)i(doing)g(the) f(\014nal)h(FFT)375 1946 y(for)20 b(writing)g(the)h(output)f(\014les.) 35 b(This)21 b(a\013ects)f(the)g Fp(R)p Fs(-spacing)h(b)q(et)o(w)o(een) f(data)g(p)q(oin)o(ts,)375 2000 y(giv)o(en)c(b)o(y)62 b Fp(\016)r(R)13 b Fs(=)h(10)p Fp(\031)r(=)p Fl(MFTWRT)n Fs(.)22 b(The)16 b(default)h(is)f(2048,)f(and)h(the)g(n)o(um)o(b)q(er)g (will)i(b)q(e)e(set)375 2055 y(to)f(a)f(p)q(o)o(w)o(er)h(of)g(2.)0 2204 y Ff(3.7)90 b(Error)21 b(Analysis)h(Keyw)n(ords)75 2307 y Fl(Epsdat)156 b Fp(\017)393 2314 y Fh(k)416 2307 y Fs(,)16 b(the)g(uncertain)o(t)o(y)g(in)h(the)g(measuremen)o(t)f(of)f Fp(\037)p Fs(\()p Fp(k)q Fs(\),)h(used)h(to)f(scale)g Fp(\037)1647 2290 y Fk(2)1684 2307 y Fs(in)h(the)g(\014t)f(and)375 2361 y(estimate)j(of)f(the)h(v)m(ariables.)32 b(By)19 b(default,)h(it)f(is)g(found)h(from)e(the)h(rms)f(v)m(alue)i(of)k(~)-29 b Fp(\037)q Fs(\()p Fp(R)p Fs(\))375 2416 y(b)q(et)o(w)o(een)16 b(15)e(and)h(25)753 2408 y(\027)753 2416 y(A,)f(as)h(describ)q(ed)i(in) f(c)o(hapter)f(5.)75 2491 y Fl(Epsr)204 b Fp(\017)393 2498 y Fh(R)423 2491 y Fs(,)15 b(the)g(uncertain)o(t)o(y)g(in)h(the)f (measuremen)o(t)g(of)20 b(~)-28 b Fp(\037)p Fs(\()p Fp(R)p Fs(\),)14 b(used)i(to)e(scale)i Fp(\037)1652 2474 y Fk(2)1688 2491 y Fs(in)g(the)f(\014t)g(and)375 2545 y(estimate)k(of)f(the)h(v)m (ariables.)32 b(By)19 b(default,)h(it)f(is)g(found)h(from)e(the)h(rms)f (v)m(alue)i(of)k(~)-29 b Fp(\037)q Fs(\()p Fp(R)p Fs(\))375 2600 y(b)q(et)o(w)o(een)16 b(15)e(and)h(25)753 2592 y(\027)753 2600 y(A,)f(as)h(describ)q(ed)i(in)f(c)o(hapter)f(5.)75 2675 y Fl(Cormin)156 b Fs(smallest)21 b(absolute)g(v)m(alue)g(of)f (correlation)h(b)q(et)o(w)o(een)g(an)o(y)f(t)o(w)o(o)f(v)m(ariables)i (to)f(rep)q(ort)g(in)375 2729 y Fo(feffit.log)t Fs(.)g(The)15 b(default)h(is)g(0.50.)p eop %%Page: 10 11 10 10 bop 0 100 a Fr(feffit)473 b Fg(Keyw)o(ords)15 b(and)g(Con)o (trols)g(for)f(FEFFIT.INP)472 b Fn(10)p 0 118 1950 2 v 0 245 a Ff(3.8)90 b(V)-5 b(ariable)21 b(and)f(User)h(De\014ned)g(F)-5 b(unction)20 b(Keyw)n(ords)0 309 y Fs(All)15 b(v)m(ariables)g(and)f (User)f(De\014ned)i(F)l(unctions)f(m)o(ust)f(b)q(e)h(on)g(their)g(o)o (wn)f(line)i(in)g Fo(feffit.inp)t Fs(.)k(More)13 b(informa-)0 364 y(tion)i(on)h(Math)e(Expressions,)h(v)m(ariables)i(and)e(User)g (De\014ned)i(F)l(unctions)e(is)h(in)g(c)o(hapter)f(4.)75 459 y Fl(Guess)180 b Fs(Initial)13 b(guess)d(for)h(a)f(v)m(ariable.)20 b(This)11 b(statemen)o(t)f(de\014nes)i(the)f(v)m(ariable,)h(and)f(so)g (is)g(required)375 514 y(for)k(ev)o(ery)g(v)m(ariable.)21 b(The)15 b(syn)o(tax)g(is:)420 577 y Fl(Guess)24 b Fi(h)p Fs(delimiter)q Fi(i)g Fl(Variable)f(Name)g Fi(h)p Fs(delimiter)q Fi(i)h Fl(Number)375 641 y Fs(where)15 b(the)h Fl(Number)e Fs(will)j(b)q(e)f(used)g(as)e(the)i(initial)h(guess.)75 714 y Fl(Set)228 b Fs(Math)14 b(Expression)i(to)f(b)q(e)h(used)f(as)g (a)g(User)g(De\014ned)h(F)l(unction.)21 b(The)16 b(syn)o(tax)e(is:)420 777 y Fl(Set)24 b Fi(h)p Fs(delimiter)q Fi(i)g Fl(Function)f Fi(h)p Fs(delimiter)q Fi(i)h Fl(Expression)0 913 y Ff(3.9)90 b(P)n(ath)21 b(P)n(arameter)f(Keyw)n(ords)0 977 y Fs(All)c(P)o(ath)f(P) o(arameters)f(m)o(ust)g(b)q(e)i(on)f(their)h(o)o(wn)f(line)i(in)f Fo(feffit.inp)t Fs(,)e(with)i(the)f(syn)o(tax)91 1040 y Fl(Path)23 b(Parameter)g Fi(h)p Fs(delimiter)q Fi(i)h Fl(Path)f(Index)g Fi(h)p Fs(delimiter)r Fi(i)h Fl(Character)e(String)0 1104 y Fs(where)f Fl(Path)i(Index)d Fs(is)h(an)g(in)o(teger.)37 b(F)l(or)20 b(a)g(mathematical)h(description)h(of)e(the)h(e\013ect)f (of)h(eac)o(h)f(of)h(these)0 1158 y(parameters)14 b(on)h Fp(\037)p Fs(\()p Fp(k)q Fs(\),)g(see)h(c)o(hapter)f(6.)75 1254 y Fl(Path)204 b Fs(P)o(ath)16 b(File)i(Name,)f(the)g(name)g(of)f (the)h Fo(feffnnnn.dat)k Fs(\014le)d(to)e(use)h(for)g(the)g(path.)24 b(This)375 1308 y(is)16 b(required)g(for)f(a)f(path)h(to)g(b)q(e)h (used.)k(There)c(is)g(no)f(default.)75 1381 y Fl(Id)252 b Fs(User)18 b(Lab)q(el)h(for)e(the)h(path,)h(used)f(only)g(for)g(ease) g(of)f(iden)o(ti\014cation.)30 b(This)18 b(is)h(optional,)375 1436 y(but)d(v)o(ery)g(con)o(v)o(enien)o(t.)22 b(The)16 b(default)h(Lab)q(el)g(will)h(include)g(the)e(P)o(ath)f(Name,)g(Half)i (P)o(ath)375 1490 y(Length,)e(and)h(Degeneracy)l(.)75 1563 y Fl(S02)228 b Fs(Math)14 b(Expression)i(for)f(a)g(constan)o(t)f (m)o(ultiplicativ)o(e)k(factor)c(for)g Fp(\037)p Fs(\()p Fp(k)q Fs(\).)75 1631 y Fl(E0)252 b Fs(Math)14 b(Expression)i(for)f (the)g Fp(E)909 1638 y Fk(0)944 1631 y Fs(shift)h(of)f(the)g(path.)75 1699 y Fl(Ei)252 b Fs(Math)16 b(Expression)h(for)f(the)g(imaginary)h (energy)g(shift)g(of)f(the)g(path,)h(whic)o(h)g(will)h(mostly)375 1758 y(broaden)d Fp(\037)p Fs(\()p Fp(k)q Fs(\).)20 b(The)c (mean-free-path,)f Fp(\025)d Fi(\030)h Fs(1)p Fp(=)1225 1723 y Fi(p)p 1262 1723 49 2 v 1262 1758 a Fp(E)1296 1765 y Fh(i)1311 1758 y Fs(.)75 1831 y Fl(Delr)204 b Fs(Math)17 b(Expression)i(for)e(a)g(correction)h(to)g Fp(R)1154 1838 y Fk(e\013)1196 1831 y Fs(,)g(the)g(half)g(the)g(path)g (length.)28 b(Note)18 b(that)375 1886 y(this)e(mostly)f(a\013ects)f (the)h(Phase,)g(but)g(that)g(the)g(Amplitude)i(is)f(also)f(a\013ected.) 75 1958 y Fl(Sigma2)156 b Fs(Math)22 b(Expression)h(for)e(the)i (mean-square)f(displacemen)o(t,)j(or)d(second)h(cum)o(ulan)o(t)g(\(or) 375 2013 y(Deb)o(y)o(e-W)l(aller)16 b(F)l(actor\).)75 2086 y Fl(Third)180 b Fs(Math)14 b(Expression)i(for)f(the)g(third)h (cum)o(ulan)o(t.)75 2154 y Fl(Fourth)156 b Fs(Math)14 b(Expression)i(for)f(the)g(fourth)g(cum)o(ulan)o(t.)p eop %%Page: 11 12 11 11 bop 0 100 a Fq(Chapter)22 b(4)1612 b Fn(11)p 0 118 1950 2 v 0 245 a Fm(V)-6 b(ariables)24 b(and)g(P)n(arameters)f(in)i (Fitting)91 430 y Fs(In)15 b(order)f(to)f(allo)o(w)i(general)g(and)f (\015exible)j(constrain)o(ts)c(of)h(the)h(ph)o(ysically)h(in)o (teresting)f(quan)o(tities)g(in)g(the)0 485 y(\014t,)g Fr(feffit)i Fs(uses)f(three)g(separate)f(kinds)i(of)f(n)o(umerical)h(v) m(alues)g(in)f(its)g(calculations.)23 b(This)17 b(formalism)f(exists)0 539 y(to)f(mak)o(e)g(the)h(ph)o(ysical)h(structure)e(of)g(the)h(system) f(under)i(study)e(easier)h(to)f(mo)q(del.)22 b(I)16 b(hop)q(e)h(that)d (this)j(rather)0 594 y(arcane)k(formalism)g(is)h(useful)g(enough)g(to)e (mak)o(e)h(learning)i(it)e(w)o(orth)o(while.)38 b(App)q(endix)24 b(A)d(and)g(app)q(endix)0 648 y(B)f(ha)o(v)o(e)g(a)g(few)h(examples)g (and)f(suggestions)h(for)e(ho)o(w)h(to)g(use)g(this)h(asp)q(ect)g(of)f Fr(feffit)h Fs(to)f(put)g(ph)o(ysically)0 703 y(meaningful)d(constrain) o(ts)d(on)h(the)h(\014t)f(of)g(XAFS)g(data.)91 767 y(First,)k(w)o(e)f (ha)o(v)o(e)g(the)h(P)o(ath)f(P)o(arameters.)29 b(These)19 b(are)f(n)o(um)o(b)q(ers)h(that)f(ha)o(v)o(e)g(a)h(pre-de\014ned)h (name)f(and)0 822 y(e\013ect)c(on)g(the)g(XAFS)h(function)g(for)e(a)h (path.)20 b(The)c(P)o(ath)e(P)o(arameters)g(represen)o(t)h(the)h(ph)o (ysical)g(quan)o(tities)g(in)0 876 y(the)i(XAFS)h(equation)g(usually)g (asso)q(ciated)g(with)f(XAFS)h(measuremen)o(ts)f(of)g(lo)q(cal)h (structure,)g(suc)o(h)f(as)g(\001)p Fp(R)0 931 y Fs(and)d Fp(\033)116 914 y Fk(2)136 931 y Fs(.)20 b(Chapter)15 b(6)g(has)g Fr(feffit)p Fs('s)g(v)o(ersion)h(of)e(the)h(XAFS)h (equation,)f(giving)h(the)f(n)o(umerical)h(e\013ect)f(of)g(eac)o(h)0 985 y(of)f(the)h(P)o(ath)f(P)o(arameters.)k(Eac)o(h)c(path)h(used)g(in) g(the)g(sum)g(o)o(v)o(er)e(m)o(ultiple-scattering)k(paths)d(gets)g(a)g (set)h(of)f(its)0 1040 y(o)o(wn)h(P)o(ath)f(P)o(arameters,)g(so)g(that) h(eac)o(h)g(path)g(can)h(ha)o(v)o(e)e(a)h(di\013eren)o(t)h(v)m(alue)g (of)f(\001)p Fp(R)p Fs(,)f(etc.)91 1104 y(Second,)19 b(there)e(are)h(the)g(v)m(ariables.)28 b(These)18 b(are)g(the)g(quan)o (tities)g(that)f(are)g(actually)i(v)m(aried)g(to)e(get)g(the)0 1159 y(b)q(est)f(\014t.)21 b(They)16 b(are)g(c)o(hosen)g(and)f(named)h (b)o(y)g(the)g(user,)f(and)h(ho)o(w)f(they)h(alter)g(an)o(y)f(of)h(the) f(P)o(ath)g(P)o(arameters)0 1213 y(is)g(also)g(c)o(hosen)g(b)o(y)f(the) h(user.)20 b(The)14 b(P)o(ath)g(P)o(arameters)f(are)i(not)f(v)m(aried)i (directly)g(in)f Fr(feffit)p Fs(,)g(but)g(are)f(instead)0 1268 y(written)19 b(in)i(terms)e(of)g(the)g(v)m(ariables.)34 b(This)20 b(allo)o(ws)g(t)o(w)o(o)e(con)o(v)o(enien)o(t)i(things)g(to)f (happ)q(en.)34 b(First,)19 b(a)h(single)0 1322 y(v)m(ariable)15 b(can)e(b)q(e)h(used)g(in)h(di\013eren)o(t)e(P)o(ath)g(P)o(arameters,)f (making)h(constrain)o(ts)g(of)g(di\013eren)o(t)h(P)o(ath)e(P)o (arameters)0 1377 y(easy)l(.)20 b(Second,)c(it)f(mak)o(es)g(it)g(easy)g (to)g(c)o(hange)g(what)g(is)g(v)m(aried)h(and)g(what)e(is)i(held)h (constan)o(t)d(in)i(the)f(\014t.)91 1441 y(T)l(o)j(mak)o(e)g(the)h (separation)g(of)f(P)o(ath)g(P)o(arameters)f(and)i(v)m(ariables)h(ev)o (en)f(easier,)g(there)g(is)g(a)g(third)g(kind)0 1496 y(of)i(n)o(umerical)i(v)m(alues)g(whic)o(h)f(I'll)h(call)g(User)f (De\014ned)g(F)l(unctions)h(\(less)f(formally)l(,)h(y)o(ou)e(can)h (think)h(of)e(the)0 1550 y(v)m(ariables)d(as)e(\\guessed")h(quan)o (tities)g(and)g(these)g(user)g(de\014ned)h(functions)f(as)g(\\set")f (quan)o(tities\).)24 b(These)17 b(are)0 1605 y(in)o(termediate)h(quan)o (tities)g(that)e(are)h(neither)h(true)f(v)m(ariables)h(nor)f(P)o(ath)f (P)o(arameters.)24 b(Lik)o(e)18 b(v)m(ariables,)h(they)0 1659 y(are)d(c)o(hosen)i(and)f(named)g(b)o(y)f(the)h(user,)g(and)g(can) g(represen)o(t)g(something)g(similar)h(to)e(or)g(v)o(ery)h(di\013eren)o (t)g(from)0 1714 y(the)d(usual)h(XAFS)e(P)o(ath)h(P)o(arameters.)k(In)c (general,)g(they)g(are)g(written)g(in)g(terms)g(of)f(the)h(v)m (ariables,)h(and)f(other)0 1768 y(User)i(De\014ned)g(F)l(unctions,)g (and)g(they)f(can)h(b)q(e)g(as)g(simple)h(or)e(complex)h(as)f(y)o(ou)g (c)o(ho)q(ose)h(to)f(mak)o(e)g(them.)21 b(User)0 1823 y(De\014ned)c(F)l(unctions)g(are)f(v)o(ery)g(con)o(v)o(enien)o(t)h(for) f(b)q(oth)g(constraining)h(P)o(ath)e(P)o(arameters)g(and)i(c)o(hanging) g(what)0 1877 y(is)f(v)m(aried)g(in)g(the)f(\014t.)0 1970 y Ff(4.1)90 b(P)n(ath)21 b(P)n(arameters)f(and)h(P)n(ath)f (Indices)91 2034 y Fs(There)12 b(are)g(nine)h(P)o(ath)e(P)o(arameters)g (asso)q(ciated)h(with)g(eac)o(h)g(path:)19 b(The)12 b(P)o(ath)f(File)i (Name,)f(a)g(User)g(Lab)q(el,)0 2089 y(and)g(sev)o(en)g(Numerical)h(P)o (ath)e(P)o(arameters.)17 b(All)c(statemen)o(ts)e(for)g(the)g(P)o(ath)g (P)o(arameters)g(in)h Fo(feffit.inp)k Fs(tak)o(e)0 2143 y(t)o(w)o(o)e(argumen)o(ts,)g(with)h(syn)o(tax:)91 2222 y Fl(Path)23 b(Parameter)g Fi(h)p Fs(delimiter)q Fi(i)h Fl(Path)f(Index)g Fi(h)p Fs(delimiter)r Fi(i)h Fl(Character)e(String)p Fs(.)0 2286 y(where)e(the)h(P)o(ath)e(Index)j(is)e(an)h(in)o(teger)f(b) q(et)o(w)o(een)g(1)g(and)h(999,)f(and)g(ties)h(the)f(di\013eren)o(t)h (P)o(ath)e(P)o(arameters)0 2340 y(together.)i(The)16 b(P)o(ath)f(Indices)j(ma)o(y)d(b)q(e)i(ordered)f(according)g(to)f(an)o (y)h(con)o(v)o(en)o(tion,)g(and)g(need)g(not)g(b)q(e)h(related)0 2395 y(to)11 b(the)h Fr(feff)h Fs(path)f(index)h(The)f Fr(feff)h Fs(P)o(ath)e(Indices)i(are)f(a)f(con)o(v)o(enien)o(t)h(c)o (hoice)h(for)e(man)o(y)h(simple)h(applications,)0 2450 y(but)f(cannot)g(alw)o(a)o(ys)f(b)q(e)h(used)h(\(if,)f(for)f(example,)i (there)f(are)g(more)f(than)h(t)o(w)o(o)f(cen)o(tral)h(atom)f(sites)h (in)g(the)g(system)0 2504 y(b)q(eing)18 b(studied\).)23 b(The)17 b(P)o(ath)e(Index)j(is)e(the)h(index)g(that)f Fr(feffit)h Fs(uses)f(in)i(the)e(sum)g(o)o(v)o(er)g(paths)g(to)f(mak)o (e)h(the)0 2559 y(total)f Fp(\037)p Fs(\()p Fp(k)q Fs(\),)f(and)i(the)f (index)h(used)g(to)f(order)g(and)g(write)g(the)h(output)f(data)f(for)h (the)g(individual)j(paths.)91 2623 y(The)d(P)o(ath)g(P)o(arameter)f(is) h(one)h(of)e(the)i(follo)o(wing:)91 2692 y Fl(Path)162 b Fs(name)15 b(of)g Fo(feffnnnn.dat)k Fs(\014le)d(to)e(use)i(as)f (theoretical)h(calculation)g(for)f(this)h(path)91 2746 y Fl(Id)210 b Fs(optional)16 b(user-supplied)i(path)d(iden)o (ti\014cation)91 2819 y Fl(e0)210 b Fs(shift)15 b(of)g(energy)g(origin) h(:)k Fp(k)14 b Fi(!)906 2763 y Fj(q)p 951 2763 356 2 v 56 x Fp(k)976 2806 y Fk(2)1007 2819 y Fi(\000)d Fl(e0)e Fi(\002)i Fs(2)p Fp(m)1219 2826 y Fh(e)1238 2819 y Fp(=)p Fs(\026)-23 b Fp(h)1287 2799 y Fk(2)p eop %%Page: 12 13 12 12 bop 0 100 a Fr(feffit)522 b Fg(V)l(ariables)16 b(and)g(P)o(arameters)d(in)j(Fitting)522 b Fn(12)p 0 118 1950 2 v 91 245 a Fl(ei)210 b Fs(imaginary)15 b(energy)h(shift)f (\(to)f(giv)o(e)i(additional)h(broadening\))91 300 y Fl(S02)186 b Fs(constan)o(t)14 b(amplitude)j(factor)91 355 y Fl(delR)162 b Fs(c)o(hange)15 b(in)h(half)g(path)f(length)h (\(1st)e(cum)o(ulan)o(t,)h(added)h(to)e Fp(R)1414 362 y Fk(e\013)1456 355 y Fs(\))91 409 y Fl(sigma2)114 b Fs(mean-square-displacemen)o(t)17 b(\(2nd)e(cum)o(ulan)o(t\),)g(or)f (Deb)o(y)o(e-W)l(aller)i(F)l(actor)91 464 y Fl(third)138 b Fs(Third)16 b(cum)o(ulan)o(t)91 518 y Fl(fourth)114 b Fs(F)l(ourth)15 b(cum)o(ulan)o(t)91 620 y(The)g(c)o(haracter)f (string)h(for)f(a)h(path)f(\014le)i(name)f(is)g(the)g(\014le)h(name)f (for)f(the)h Fo(feffnnnn.dat)j Fs(for)d(that)f(P)o(ath)0 675 y(Index.)20 b(The)12 b(\014le)h(name)f(can)h(b)q(e)f(up)h(to)e(70)h (c)o(haracters)f(long.)19 b(Sub)q(directory)13 b(paths)f(can)g(b)q(e)h (included)i(in)e(the)f(\014le)0 729 y(name,)j(and)h(for)f (case-sensitiv)o(e)h(systems,)f(case)g(con)o(v)o(en)o(tions)h(m)o(ust)f (b)q(e)h(follo)o(w)o(ed)g(when)g(naming)g(\014les.)21 b(If)16 b(one)0 784 y(of)d(these)h(\014les)h(cannot)f(b)q(e)g(found,)g Fr(feffit)h Fs(will)h(tell)f(y)o(ou)e(whic)o(h)i(\014les)g(are)e (missing)i(b)q(efore)f(it)g(stops.)19 b(The)14 b(User)0 838 y(path)h(iden)o(ti\014cation)h(lab)q(el)h(is)e(a)o(v)m(ailable)h (for)e(the)h(user's)g(con)o(v)o(enience)h(|)f(it)g(will)h(b)q(e)g (written)f(to)f(the)h(outputs,)0 893 y(but)g(has)h(no)f(in)o(ternal)h (function.)21 b(The)16 b(c)o(haracter)f(strings)g(for)g(the)g(rest)g (of)g(the)g(P)o(ath)g(P)o(arameters)f(\()h(all)h(those)0 948 y(except)j Fl(Path)f Fs(and)h Fl(Id)p Fs(\))f(are)g(in)o(terpreted) h(as)f(Math)g(Expressions)h(used)g(to)f(ev)m(aluate)h(the)g(P)o(ath)f (P)o(arameter,)0 1002 y(and)c(are)g(written)h(in)g(terms)f(of)g(the)g (v)m(ariables,)h(user)g(de\014ned)g(functions,)g(in)o(trinsic)h (functions,)f(and)g(n)o(umerical)0 1057 y(constan)o(ts.)k(Math)14 b(Expressions)h(will)h(b)q(e)f(describ)q(ed)i(in)e(more)g(detail)g(in)h (section)f(4.5.)k(Here)c(are)f(some)g(t)o(ypical)0 1111 y(P)o(ath)g(P)o(arameter)g(statemen)o(ts)g(\(see)i(also)f(app)q(endix)i (A\):)134 1190 y Fc(Path)87 b(1)43 b(=)g(feff0001.dat)106 b(\045)22 b(1st)f(output)f(path)h(from)g(feff)134 1245 y(Id)131 b(1)43 b(=)g(Path)21 b(#1:)g(Single)f(Scattering)g(-)h(first)g (neighbor)134 1299 y(e0)131 b(1)43 b(=)g(e0shift)134 1354 y(delr)87 b(1)43 b(=)g(delr_1)134 1408 y(sigma2)g(1)g(=)g(sig_1)91 1463 y(\045)134 1517 y(Path)87 b(2)43 b(=)g(feff0002.dat)84 b(\045)22 b(2nd)f(output)f(path)h(from)g(feff)134 1572 y(Id)131 b(2)43 b(=)g(Path)21 b(#2:)g(Single)f(Scattering)g(-)h(second) g(neighbor)134 1626 y(e0)131 b(2)43 b(=)g(e0shift)134 1681 y(delr)87 b(2)43 b(=)g(delr_1)20 b(*)i(sqrt\(2\))134 1736 y(sigma2)43 b(2)g(=)g(sig_2)0 1923 y Ff(4.2)90 b(Defaults)21 b(for)f(the)g(P)n(ath)g(P)n(arameters,)h(and)g(the)f(0th)g(P)n(ath)91 1988 y Fs(Ev)o(ery)c(P)o(ath)g(P)o(arameter)f(m)o(ust)h(b)q(e)h(sp)q (eci\014ed)i(for)d(ev)o(ery)h(path)f(in)h(the)g(\014t.)24 b(This)17 b(is)g(often)g(incon)o(v)o(enien)o(t)0 2042 y(for)c(P)o(ath)g(P)o(arameters)f(that)h(are)g(same)h(for)f(all)h (paths,)f(as)h(will)h(often)e(happ)q(en)i(for)e(the)h(P)o(ath)f(P)o (arameters)f Fl(S02)p Fs(,)0 2097 y Fl(e0)p Fs(,)i(and)i Fl(ei)p Fs(.)j(And)d(since)g(there)f(is)h(already)f(plen)o(t)o(y)g(of)g (opp)q(ortunities)h(for)f(t)o(yping)g(mistak)o(es)g(in)g Fo(feffit.inp)t Fs(,)0 2151 y(an)o(ything)f(to)f(a)o(v)o(oid)h(useless) h(rep)q(etition)g(is)f(w)o(orth)o(while.)20 b(So,)13 b(y)o(ou)h(can)g(assign)g(default)g(v)m(alues)h(for)f(eac)o(h)f(of)h (the)0 2206 y(Numerical)h(P)o(ath)f(P)o(arameters,)e(using)j(the)f(0th) g(P)o(ath)f(\()p Fe(i.e.)19 b Fs(the)c(path)f(with)g(P)o(ath)f(Index)i (0\).)k(The)c(Numerical)0 2260 y(P)o(ath)c(P)o(arameters)f(for)h(the)h (0th)f(P)o(ath)g(are)g(in)o(terpreted)i(as)e(Math)g(Expressions,)h(as)f (for)g(an)o(y)h(other)f(path.)18 b(If)12 b(an)o(y)0 2315 y(Numerical)18 b(P)o(ath)e(P)o(arameter)g(is)h(not)f(explicitly)k (written)d(in)g Fo(feffit.inp)t Fs(,)g(the)g(v)m(alue)h(for)e(that)g(P) o(arameter)0 2369 y(will)h(b)q(e)f(tak)o(en)e(from)h(the)g(v)m(alue)i (for)d(0th)h(P)o(ath.)k(F)l(or)c(example,)g(writing)91 2434 y Fl(S02)23 b(0)h(amplitude)p Fs(,)0 2498 y(and)14 b(then)g(simply)h(not)f(men)o(tioning)g Fl(S02)g Fs(for)f(an)o(y)h (other)f(paths)h(assigns)g Fl(S02)f Fs(the)h(v)m(alue)h(of)e Fl(amplitude)g Fs(for)g(all)0 2552 y(paths.)19 b(It)c(is)g(imp)q(ortan) o(t)f(to)f(remem)o(b)q(er)i(that)e(the)i(0th)f(path)g(giv)o(es)g(the)h Fe(default)k Fs(v)m(alue,)c(not)f(an)g Fe(over)n(al)r(l)19 b Fs(v)m(alue.)0 2607 y(If)d(a)g(Numerical)i(P)o(ath)d(P)o(arameter)g (is)i(explicitly)i(men)o(tioned)e(for)e(an)o(y)h(path,)g(the)g(default) h(v)m(alue)h(will)f(not)f(b)q(e)0 2661 y(used)d(for)e(that)h(path.)19 b(The)12 b(defaults)h(for)f(the)g(0th)g(P)o(ath)f(P)o(arameters)g(are)h (0.0)f(for)h(all)h(P)o(ath)f(P)o(arameters)e(except)0 2716 y Fl(S02)p Fs(,)k(whic)o(h)h(has)g(default)g(1.0.)j(This)d(means)g (that)f(if)h(y)o(ou)f(don't)g(men)o(tion)h(a)f(Numerical)i(P)o(ath)d(P) o(arameter)h(for)0 2770 y(an)o(y)j(path,)h(includin)q(g)i(the)e(0th)f (P)o(ath,)h(then)g(that)f(P)o(arameter)g(will)i(b)q(e)g(set)e(to)g (zero)h(\(or)f(one)h(in)h(the)f(case)f(of)0 2825 y Fl(S02)p Fs(\))g(in)h(the)g(\014t.)28 b(The)18 b(P)o(ath)f(P)o(arameter)f Fl(Id)h Fs(has)h(a)f(default)i(whic)o(h)f(is)g(a)g(lab)q(el)h(made)f (from)f(the)h(path's)f(\014le)p eop %%Page: 13 14 13 13 bop 0 100 a Fr(feffit)522 b Fg(V)l(ariables)16 b(and)g(P)o(arameters)d(in)j(Fitting)522 b Fn(13)p 0 118 1950 2 v 0 245 a Fs(name)17 b(and)h(the)f(half-path-length)i(\()p Fp(R)684 252 y Fk(e\013)726 245 y Fs(\),)e(n)o(um)o(b)q(er)g(of)g (equiv)m(alen)o(t)i(paths,)e(and)h(n)o(um)o(b)q(er)g(of)e(scattering)i (legs)0 300 y(in)e(the)f(path.)20 b(The)15 b(P)o(ath)g(P)o(arameters)f Fl(Path)g Fs(do)q(es)i(not)f(ha)o(v)o(e)f(a)h(default.)0 390 y Ff(4.3)90 b(V)-5 b(ariables)91 453 y Fs(The)14 b(v)m(ariables)g(in)h(the)e(\014tting)h(problem)g(are)f(c)o(hosen)h(b)o (y)f(the)g(user)h(and)g(are)f(conceptually)i(separate)e(from)0 508 y(the)i(P)o(ath)g(P)o(arameters.)j(This)e(formalism)f(lets)g(the)h (v)m(ariables)g(b)q(e)g(the)f(ph)o(ysically)i(in)o(teresting)f(quan)o (tities)g(for)0 562 y(the)k(system,)g(and)g(also)f(allo)o(ws)h (constrain)o(ts)f(to)g(b)q(e)i(easily)g(placed)g(on)e(the)h(di\013eren) o(t)g(P)o(ath)f(P)o(arameters)f(in)0 617 y(the)f(problem.)27 b(All)18 b(v)m(ariables)g(m)o(ust)f(b)q(e)h(de\014ned)g(in)g Fo(feffit.inp)t Fs(,)f(or)g(the)g(program)f(will)j(complain)f(that)f (it)0 671 y(do)q(esn't)h(kno)o(w)f(what)g(y)o(ou)h(w)o(an)o(t)e(it)j (to)e(do.)27 b(T)l(o)18 b(de\014ne)h(a)e(v)m(ariable,)j(the)e(k)o(eyw)o (ord)f Fl(guess)g Fs(is)h(used)h(with)f(the)0 726 y(follo)o(wing)e(syn) o(tax:)91 790 y Fl(guess)23 b Fi(h)p Fs(delimiter)r Fi(i)g Fl(Variable)g(Name)g Fi(h)p Fs(delimiter)r Fi(i)g Fl(Initial)g(Guess)0 853 y Fs(where)16 b(the)g(Initial)i(Guess)d(is)i(the)e(real)h(n)o(um)o (b)q(er)h(that)e(will)i(b)q(e)f(used)h(as)e(the)h(starting)f(v)m(alue)i (for)e(this)i(v)m(ariable)0 908 y(in)h(the)f(\014t.)26 b(The)18 b(\014nal)g(results)f(should)h(not)f(dep)q(end)i(strongly)e (on)g(the)g(v)m(alue)i(of)d(the)i(initial)h(guess)e(for)g(most)0 962 y(ph)o(ysically)d(reasonable)f(v)m(ariables.)20 b(The)13 b(initial)i(guess)d(can)h(a\013ect)e(the)i(computation)f(sp)q(eed.)20 b(V)l(ariable)14 b(names)0 1017 y(are)h(c)o(haracter)f(strings)h(up)h (to)f(40)f(c)o(haracters)h(long)g(that)g(meet)g(these)g(t)o(w)o(o)f (requiremen)o(ts)91 1084 y(1.)110 b(con)o(tain)16 b(no)f(white)h (spaces)f(\(blanks)h(and/or)e(T)l(ABs\),)h(or)g(+,)g(-,)g(*,)f(/,)h(^,) f(\(,)h(\),)f(!,)h(or)f(\045.)91 1139 y(2.)110 b(The)16 b(\014rst)f(c)o(haracter)f(is)i(not)f(a)g(n)o(umeral.)91 1228 y(V)l(ariables)j(are)f(c)o(hec)o(k)o(ed)g(b)q(efore)g(the)g(\014t) g(b)q(egins)h(to)f(mak)o(e)f(sure)h(that)f(they)i(are)e(de\014ned)i (and)g(that)e(they)0 1283 y(are)k(used)h(in)g(the)f(\014t.)36 b(If)20 b(an)o(y)g(named)h(v)m(alue)g(has)f(not)g(b)q(een)i(sp)q (eci\014cally)h(de\014ned)f(as)d(a)h(v)m(ariable)i(or)e(User)0 1337 y(De\014ned)f(V)l(ariable)f(\(that)f(is,)i(if)f(it)g(hasn't)f(b)q (een)i Fl(guess)p Fs(ed)e(or)g Fl(set)p Fs(\),)h Fr(feffit)g Fs(will)i(stop)d(and)h(complain)h(that)0 1392 y(some)d(v)m(ariable)i(w) o(as)d(unde\014ned.)25 b(V)l(ariables)17 b(that)f(are)g(de\014ned)h (but)f(not)g(used)h(b)o(y)f(an)o(y)g(P)o(ath)g(P)o(arameters)e(or)0 1447 y(User-De\014ned)j(F)l(unctions)f(will)h(cause)f(a)f(w)o(arning,)g (but)h Fr(feffit)h Fs(will)g(not)e(stop.)21 b(V)l(ariables)16 b(that)f(are)h(de\014ned)0 1501 y(and)i(used)h(but)f(end)h(up)f(ha)o (ving)g(no)g(e\013ect)g(on)g(the)g(\014t)g(are)g(not)f(in)o(v)o (estigated)h(b)q(efore)h(the)f(\014t)g(is)g(done.)29 b(An)o(y)0 1556 y(suc)o(h)16 b(\\n)o(ull)g(v)m(ariables")g(will)h(prev) o(en)o(t)e(uncertain)o(ties)h(from)f(b)q(eing)h(estimated)g(for)e(all)i (v)m(ariables.)0 1645 y Ff(4.4)90 b(User)21 b(De\014ned)g(F)-5 b(unctions)91 1709 y Fs(User)13 b(De\014ned)h(F)l(unctions)g(are)f(lik) o(e)h(v)m(ariables,)h(only)e(they)h(are)e(\\set")h(so)g(that)f(their)i (v)m(alue)g(is)g(not)f(directly)0 1763 y(adjusted)h(in)h(the)e(\014t.) 20 b(Y)l(ou)14 b(can)g(use)g(up)g(to)f(200)g(of)g(them.)20 b(Lik)o(e)15 b(v)m(ariables,)g(they)e(are)h(c)o(hosen)g(b)o(y)g(the)g (user,)f(not)0 1818 y(b)o(y)j Fr(feffit)p Fs(.)22 b(Lik)o(e)16 b(the)g(P)o(ath)f(P)o(arameters,)e(they)j(are)f(written)h(as)f(Math)g (Expressions)h(of)f(the)h(v)m(ariables,)h(real)0 1872 y(n)o(um)o(b)q(ers,)d(and)f(other)g(User)h(De\014ned)g(F)l(unctions.)20 b(This)14 b(means)g(that)e(their)i(v)m(alues)h(migh)o(t)e(c)o(hange)h (during)g(the)0 1927 y(\014t)j(\(if)h(they)f(dep)q(end)i(on)e(an)o(y)g (of)g(the)g(c)o(hanging)h(v)m(ariables\),)g(but)f(they)h(don't)e(coun)o (t)h(as)g(separate)g(v)m(ariables.)0 1982 y(The)e(names)f(of)g(the)h (User)f(De\014ned)h(F)l(unctions)h(follo)o(w)e(the)h(same)f(rules)h(as) f(the)h(names)f(of)g(the)h(v)m(ariables.)21 b(The)0 2036 y(syn)o(tax)14 b(for)h(de\014ning)i(a)e(User)g(De\014ned)h(F)l(unction) g(is:)91 2100 y Fl(set)23 b Fi(h)p Fs(delimiter)r Fi(i)g Fl(User)h(Defined)f(Function)f Fi(h)p Fs(delimiter)r Fi(i)i Fl(Math)f(Expression)p Fs(.)0 2176 y(Some)15 b(examples)h(of)f (User)g(De\014ned)h(F)l(unctions)g(are:)134 2247 y Fc(set)43 b(hbar_c)129 b(=)22 b(1973.)347 b(\045)21 b(set)h(to)f(a)g(constant)134 2302 y(set)43 b(golden_mean)19 b(=)j(\(1.0)f(+)g(sqrt\(5\)\))f(/)i(2)43 b(\045)21 b(calculate)f(a)i(constant)e(number)134 2356 y(set)43 b(halfpi)129 b(=)22 b(pi/2)134 2411 y(set)43 b(sinxpi)129 b(=)22 b(sin\(x*halfpi\))d(**)i(2)65 b(\045)21 b(these)g(depend)f(on)i(other)e(named)134 2465 y(set)43 b(b2_&_c2)107 b(=)22 b(b**2)f(+)g(c**2)217 b(\045)21 b(values)g(which)f(could)h(be)g(variables)134 2520 y(set)43 b(max_x_y)107 b(=)22 b(max\(x,)e(y\))261 b(\045)21 b(or)h(other)e (user-defined)f(functions)19 2607 y Fs(User)h(De\014ned)g(F)l(unctions) g(can)g(b)q(e)g(used)g(to)f(name)g(constan)o(ts)f(\(lik)o(e)j Fl(halfpi)p Fs(\))d(or)h(to)g(break)g(up)h(form)o(ulas.)0 2661 y(They)g(use)h(other)f(named)g(v)m(alues)i(in)f(their)g (de\014nitions,)i(and)d(that)g(the)g(status)f(of)h(the)g(named)h(v)m (alue)g(as)f(a)0 2716 y(v)m(ariables)g(or)e(User)g(De\014ned)i(F)l (unction)f(do)q(es)g(not)f(matter)f(to)h(the)h(de\014nition.)31 b(In)19 b(the)g(ab)q(o)o(v)o(e)f(de\014nition)i(of)0 2770 y Fl(sinxpi)p Fs(,)14 b Fl(b2)p 222 2770 15 2 v 17 w(&)p 263 2770 V 17 w(c2)g Fs(and)h Fl(max)p 502 2770 V 17 w(x)p 543 2770 V 17 w(y)g Fs(do)f(not)h(care)g(whether)g Fl(x)p Fs(,)f Fl(b)p Fs(,)g Fl(c)p Fs(,)h(or)f Fl(y)h Fs(are)f(v)m(ariables)i(or)f(other)f(User)h(De\014ned)0 2825 y(F)l(unctions.)21 b(Only)16 b(the)f(n)o(umerical)i(v)m(alues)f (matters.)p eop %%Page: 14 15 14 14 bop 0 100 a Fr(feffit)522 b Fg(V)l(ariables)16 b(and)g(P)o(arameters)d(in)j(Fitting)522 b Fn(14)p 0 118 1950 2 v 91 245 a Fs(One)18 b(of)e(the)h(b)q(est)g(uses)h(of)e(the) h(User)g(De\014ned)h(F)l(unctions)g(is)f(to)g(mak)o(e)f(a)h(\015exible) i(w)o(a)o(y)d(of)g(constraining)0 300 y(v)m(ariables.)26 b(As)16 b(an)h(example,)g(a)g(User)f(De\014ned)i(F)l(unction)f(can)g(b) q(e)g(assigned)h(to)e(eac)o(h)g(P)o(ath)g(P)o(arameter)g(that)0 355 y(is)h(to)f(b)q(e)h(c)o(hanged)g(in)h(the)f(problem.)24 b(Some)17 b(of)f(these)h(can)g(b)q(e)g(true)g(v)m(ariables)h(in)f(the)g (\014t,)f(and)h(some)g(can)f(b)q(e)0 409 y(dep)q(enden)o(t)h(on)e(the)g (true)g(v)m(ariables.)21 b(Here)16 b(is)g(part)e(of)h(a)g Fo(feffit.inp)k Fs(to)14 b(help)j(illustrate)f(this:)134 483 y Fc(sigma2)21 b(1)43 b(=)22 b(sig1)369 b(\045)21 b(these)g(are)g(all)g(path)g(parameter)134 538 y(sigma2)g(2)43 b(=)22 b(sig2)369 b(\045)21 b(statements)f(for)h(the)g(sigma2)134 592 y(sigma2)g(3)43 b(=)22 b(sig3)369 b(\045)21 b(parameters)f(of)h (paths)f(1,)i(2,)f(3,)g(and)g(4)134 647 y(sigma2)g(4)43 b(=)22 b(sig4)369 b(\045)91 701 y(\045)134 756 y(guess)65 b(sig1)20 b(=)44 b(0.00000)216 b(\045)21 b(a)h(variable)134 810 y(set)109 b(sig2)20 b(=)44 b(sqrt\(3\))20 b(*)h(sig1)65 b(\045)21 b(a)h(user-defined)d(function)91 865 y(\045)134 919 y(guess)65 b(sig3)20 b(=)44 b(0.00000)134 974 y(set)109 b(sig4)20 b(=)44 b(sqrt\()20 b(sig3^2)h(+)43 b(2*sig2^2)20 b(\))16 1065 y Fs(There)c(are)g(t)o(w)o(o)e(v)m(ariables)k(for)d(the)h (four)f(Deb)o(y)o(e-W)l(aller)i(factors.)k(But)16 b(it)g(is)h(easy)f (to)f(c)o(hange)h Fl(set)f Fs(to)h Fl(guess)0 1119 y Fs(to)f(c)o(hange)g(the)h(n)o(um)o(b)q(er)f(of)g(v)m(ariables.)22 b(The)15 b(p)q(oin)o(t)h(is)g(that)f(the)g(e\013ect)g(of)g(the)g(quan)o (tities)h(\()p Fl(sig1,...,sig4)p Fs(\))0 1174 y(on)f(the)g(XAFS)h(P)o (ath)e(P)o(arameter)g(do)q(esn't)h(c)o(hange,)g(only)h(their)f(status)g (as)g(v)m(ariables.)91 1237 y(In)g(general,)g(b)q(oth)g(User)f (De\014ned)i(F)l(unctions)f(and)g(P)o(ath)f(P)o(arameters)f(ha)o(v)o(e) i(v)m(alues)g(that)f(will)j(c)o(hange)d(as)0 1292 y(v)m(ariables)h(in)f (the)g(\014t)g(c)o(hange,)f(ev)o(en)h(though)g(they)f(are)h(not)f (directly)i(v)m(aried)g(in)f(the)g(\014t.)19 b(Ho)o(w)13 b(they)h(dep)q(end)h(on)0 1346 y(the)g(set)g(of)f(v)m(ariables)j(is)e (left)g(en)o(tirely)h(up)g(to)e(y)o(ou.)20 b(Y)l(ou)15 b(c)o(ho)q(ose)g(what)f(gets)h(v)m(aried,)g(and)h(ho)o(w)e(the)h(ph)o (ysically)0 1401 y(imp)q(ortan)o(t)j(part)h(of)f(the)h(system)g (\(presumably)g(what)f(y)o(ou're)g(trying)h(to)g(measure\),)g(will)h (alter)f(the)g(XAFS)0 1455 y(signal)j(in)g(terms)e(of)h(the)g(b)q (oring)h(P)o(ath)e(P)o(arameters.)36 b(Please)22 b(try)e(to)h(come)g (up)g(with)g(a)g(set)g(of)g(v)m(ariables)0 1510 y(b)q(etter)13 b(than)g(Deb)o(y)o(e-W)l(aller)g(F)l(actors)f(and)h(neigh)o(b)q(or)h (distances,)g(so)e(that)g Fr(feffit)i Fs(can)f(help)h(y)o(ou)f(measure) g(the)0 1565 y(ph)o(ysical)g(parameters)f(y)o(ou're)f(in)o(terested)i (in,)g(and)g(that)e(p)q(eople)j(who'v)o(e)d(nev)o(er)i(done)f(XAFS)g (can)h(understand.)91 1628 y(Finally)l(,)19 b(a)e(w)o(arning)g(should)h (b)q(e)g(giv)o(en)f(ab)q(out)g(recursiv)o(e)h(de\014nitions)h(of)e(the) g(User)g(De\014ned)h(F)l(unctions)0 1683 y(\(that)c(is)i(some)g(User)f (De\014ned)h(F)l(unction)h(referring)e(to)g(itself,)h(ev)o(en)g(if)g (through)f(in)o(termediate)h(steps\).)21 b(These)0 1737 y(are)16 b(di\016cult)h(to)e(c)o(hec)o(k)h(for)g(|)g(so)f(b)q(e)i (careful.)23 b(I'v)o(e)15 b(only)i(see)f(this)g(problem)h(once)f(\(and) g(that)f(w)o(as)g(a)h(t)o(yp)q(o)f(of)0 1792 y(m)o(y)g(o)o(wn\),)f(but) h(b)q(ew)o(are)g(of)g(doing)h(something)f(lik)o(e)i(this:)156 1862 y Fc(set)k(a)h(=)f(b)h(+)f(1)156 1917 y(set)g(b)h(=)f(a)15 2007 y Fs(b)q(ecause)16 b Fl(a)f Fs(and)h Fl(b)f Fs(will)i(div)o(erge)e (as)g(the)g(User)h(De\014ned)g(F)l(unctions)g(are)e(rep)q(eatedly)j(ev) m(aluated!)0 2098 y Ff(4.5)90 b(Math)21 b(Expressions)91 2161 y Fs(The)h(c)o(haracter)e(strings)i(for)f(the)g(Numerical)i(P)o (ath)e(P)o(arameters)f(and)h(User)h(De\014ned)g(F)l(unctions)g(are)0 2216 y(in)o(terpreted)11 b(as)f(Math)g(Expressions.)19 b(These)11 b(are)f(made)h(up)g(of)f(simple)i(algebraic)f(expressions,)h (using)f(n)o(um)o(b)q(ers,)0 2270 y(named)18 b(v)m(alues)g(\(no)f (distinction)j(is)e(made)f(whether)h(a)f(named)g(v)m(alue)i(w)o(as)e Fl(guess)p Fs(ed)g(or)g Fl(set)p Fs(\),)g(simple)h(math)0 2325 y(op)q(erations,)g(and)h(in)o(trinsic)g(functions.)29 b(F)o(OR)l(TRAN)19 b(syn)o(tax)e(is)h(follo)o(w)o(ed,)h(and)f(the)g (case)g(of)g(the)g(strings)f(is)0 2380 y(ignored.)j(The)14 b(supp)q(orted)g(math)f(op)q(erations)h(are)g Fl(*,)23 b(/,)h(+,)f(-,)h(**,)p Fs(and)14 b Fl(^)p Fs(.)19 b(Exp)q(onen)o (tiation)14 b(can)g(b)q(e)h(done)0 2434 y(with)j Fl(**)f Fs(or)g Fl(^)p Fs(.)27 b(Supp)q(orted)19 b(in)o(trinsic)g(functions)f (are)g Fl(abs,)23 b(exp,)g(log,)h(sqrt,)f(sin,)g(cos,)g(tan,)h(asin,)0 2489 y(acos,)f(atan,)g(sinh,)h(cosh,)f Fs(and)13 b Fl(tanh)p Fs(.)18 b(All)d(trigonometric)d(functions)i(use)f(radians.)20 b(The)13 b(v)m(alue)h(of)e Fp(\031)j Fs(can)0 2543 y(b)q(e)h(accessed)h (with)f(the)g(named)g(constan)o(t)f Fl(pi)p Fs(.)22 b(The)16 b(t)o(w)o(o-comp)q(onen)o(t)e(in)o(trinsic)k(functions)f Fl(min)e Fs(and)h Fl(max)f Fs(are)0 2598 y(supp)q(orted,)e(and)g (return)g(the)f(minim)o(um)i(and)f(maxim)o(um)f(v)m(alue)i(of)f(t)o(w)o (o)e(argumen)o(ts,)h(separated)g(b)o(y)h(a)f(comma,)0 2652 y(as)j(in)h Fl(min\(x,y\))p Fs(.)j(All)d(math)f(is)g(done)h(in)g (single)h(precision.)91 2716 y(Standard)g(math)f(precedence)j(\(quan)o (tities)e(inside)i(paren)o(theses)e(\014rst,)g(from)f(inner)i(to)e (outer)h(paren)o(the-)0 2770 y(ses,)j(then)g Fl(**)f Fs(and)g Fl(^)p Fs(,)h(follo)o(w)o(ed)f(b)o(y)h Fl(*)f Fs(and)g Fl(/)p Fs(,)h(and)g(then)f(\014nally)i Fl(+)e Fs(and)h Fl(-)p Fs(\))e(is)i(follo)o(w)o(ed,)g(but)g(paren)o(theses)0 2825 y(are)e(encouraged)g(to)g(a)o(v)o(oid)g(confusion.)30 b(If)18 b(an)o(ything)h(do)q(es)f(confuse)h(these)g(routines)f (\(unde\014ned)i(v)m(ariables,)p eop %%Page: 15 16 15 15 bop 0 100 a Fr(feffit)522 b Fg(V)l(ariables)16 b(and)g(P)o(arameters)d(in)j(Fitting)522 b Fn(15)p 0 118 1950 2 v 0 245 a Fs(argumen)o(ts)18 b(out-of-range,)i(or)f (nonsense)h(math)e(op)q(erations\),)i(they)g(will)h(return)e(an)g (error)g(message)g(and)g(a)0 300 y(v)m(alue)d(of)f(zero.)20 b(F)l(urther)15 b(questions)h(or)e(suggestions)i(ab)q(out)f(this)g (part)g(of)g Fr(feffit)h Fs(are)f(w)o(elcome.)91 364 y(Besides)20 b(the)f(standard)f(math)g(in)o(trinsic)j(functions,)f (there)e(are)h(a)f(few)h(additional)h(in)o(trinsic)g(functions)0 418 y(that)d(are)g(useful)h(for)f(XAFS)g(analysis.)27 b(The)18 b(\014rst)f(of)g(these)g(is)h(the)f(constan)o(t)g Fl(reff)p Fs(,)g(whic)o(h)h(giv)o(es)f(the)h(v)m(alue)0 473 y(of)e(the)h(half-path-length,)h Fp(R)517 480 y Fk(e\013)559 473 y Fs(,)f(for)f(the)g(\\curren)o(t)h(path".)24 b(\(The)16 b(curren)o(t)h(path)f(is)h(the)g(one)g(that)f Fr(feffit)h Fs(is)0 527 y(considering)h(as)e(it)h(sums)g(o)o(v)o(er)e(paths.\))24 b(The)17 b(utilit)o(y)h(of)e Fl(reff)g Fs(is)h(easily)h(demonstrated)e (with)h(the)f(0th)g(path.)0 582 y(F)l(or)f(example,)g(sa)o(ying)91 645 y Fl(delr)23 b(0)h(=)g(reff)f(*)h(expansion)p 692 645 15 2 v 16 w(parameter)0 709 y Fs(giv)o(es)19 b(a)f(con)o(v)o(enien) o(t)h(\(and)f(fo)q(ol-pro)q(of)t(!\))29 b(metho)q(d)19 b(for)f(mo)q(deling)i(a)e(lattice)h(expansion)g(without)g(ha)o(ving)g (to)0 764 y(man)o(ually)e(en)o(ter)g(all)h(the)e(di\013eren)o(t)h(path) g(lengths.)25 b(It)16 b(migh)o(t)h(get)f(confusing)i(to)e(use)h Fl(reff)f Fs(in)h(User)g(De\014ned)0 818 y(F)l(unctions)11 b(\()p Fl(set)f Fs(statemen)o(ts\).)17 b(It's)11 b(alw)o(a)o(ys)e(OK)j (to)e(use)h Fl(reff)f Fs(in)h(an)o(y)g(P)o(ath)f(P)o(arameter)f (statemen)o(t,)h(including)0 873 y(those)15 b(for)g(the)g(0th)g(path.) 91 936 y(The)i(second)g(XAFS)f(in)o(trinsic)i(function)g(will)g (calculate)f(a)g(v)m(alue)g(for)f Fp(\033)1364 920 y Fk(2)1400 936 y Fs(for)g(a)g(path)h(giv)o(en)g(a)f(v)m(alue)i(for)0 991 y(the)c(temp)q(erature)h(and)f(Deb)o(y)o(e)g(T)l(emp)q(erature)h (using)g(the)g(correlated)f(Deb)o(y)o(e)g(Mo)q(del)h(implemen)o(ted)h (b)o(y)f(Rehr,)0 1045 y Fe(et)h(al.)k Fs(in)c Fr(feff)p Fs(.)22 b(The)15 b(function)h(is)g(called)g Fl(debye)p Fs(,)f(and)g(has)g(the)g(syn)o(tax)91 1109 y Fl(debye\()23 b(temp,)g(theta\))0 1173 y Fs(where)18 b Fl(temp)f Fs(and)h Fl(theta)f Fs(represen)o(t)h(the)g(temp)q(erature)g(and)g(Deb)o(y)o(e)g (T)l(emp)q(erature,)g(resp)q(ectiv)o(ely)h(\(b)q(oth)f(in)0 1227 y(Kelvin\).)23 b(The)16 b(comma)e(b)q(et)o(w)o(een)i(the)g(temp)q (erature)f(and)h(the)g(Deb)o(y)o(e)f(T)l(emp)q(erature)h(is)g (required.)22 b(The)16 b(tem-)0 1282 y(p)q(erature)g(and)g(Deb)o(y)o(e) g(T)l(emp)q(erature)g(are)g(actually)h(Math)e(Expressions)h(themselv)o (es,)h(and)f(can)g(b)q(e)h(n)o(um)o(b)q(ers)0 1336 y(or)d(named)g(quan) o(tities)g(that)g(ha)o(v)o(e)f(a)h(set)g(or)f(v)m(ariable)j(v)m(alue.) 21 b(This)14 b(p)q(oin)o(ts)h(to)e(real)h(utilit)o(y)i(of)d(this)i (function)g(|)0 1391 y(the)g(Deb)o(y)o(e)f(T)l(emp)q(erature)h(can)f(b) q(e)h(a)g(\014tting)f(v)m(ariable.)21 b(It)15 b(should)g(b)q(e)h(noted) e(that)g(the)h(Deb)o(y)o(e-W)l(aller)g(F)l(actor)0 1445 y(dep)q(ends)j(not)d(only)i(on)f(the)g(temp)q(erature)g(and)g(Deb)o(y)o (e)g(T)l(emp)q(erature,)g(but)h(also)f(on)g(the)g(ph)o(ysical)h (details)g(of)0 1500 y(the)h(path)g(\(where)h(the)f(atoms)f(are,)h(and) h(what)e(their)i(masses)f(are\),)g(so)g(that)f(someho)o(w)g(these)i (path)f(details)0 1555 y(need)g(to)e(b)q(e)i(used.)26 b(This)17 b(information)h(is)f(in)h(fact)e(giv)o(en)i(in)g(the)f Fo(feffnnnn.dat)j Fs(\014les,)f(and)e Fr(feffit)h Fs(simply)0 1609 y(uses)e(the)h(v)m(alues)g(from)e(the)i(\\curren)o(t")e(path.)23 b(This)16 b(means)h(that,)e(lik)o(e)i Fl(reff)p Fs(,)f(it)g(is)h (probably)f(clearer)h(to)f(use)0 1664 y(the)f Fl(debye)g Fs(function)h(in)g(a)f(P)o(ath)f(P)o(arameter)g(line.)22 b(Using)15 b(it)h(for)e(the)i(0th)e(path)i(is)f(alw)o(a)o(ys)g(OK.)91 1727 y(The)d(third)h(\(and)f(last)h(|)f(but)h(w)o(e're)e(taking)h (suggestions\))g(XAFS)h(in)o(trinsic)h(function)f(will)h(also)e (calculate)0 1782 y Fp(\033)28 1765 y Fk(2)60 1782 y Fs(for)f(a)h(path,)g(and)g(is)h(v)o(ery)f(similar)h(in)g(use)f(to)f (the)h(Deb)o(y)o(e)g(function)h(ab)q(o)o(v)o(e,)f(but)g(uses)g(the)g (somewhat)g(simpler)0 1836 y(Einstein)17 b(mo)q(del.)j(This)c(mo)q(del) g(could)h(actually)f(b)q(e)f(done)h(b)o(y)f(hand)h(as,)748 1972 y Fp(\033)776 1953 y Fk(2)809 1972 y Fs(=)862 1941 y(\(\026)-23 b Fp(hc)p Fs(\))944 1925 y Fk(2)p 862 1962 102 2 v 874 2003 a Fs(2)p Fp(k)921 2010 y Fh(B)974 1941 y Fs(coth\()p Fp(\022)q(=)p Fs(2)p Fp(T)6 b Fs(\))p 974 1962 223 2 v 1038 2003 a Fp(M)1082 2010 y Fk(R)1111 2003 y Fp(\022)1857 1972 y Fs(\(4)p Fp(:)p Fs(1\))0 2101 y(where)14 b Fp(M)174 2108 y Fk(R)217 2101 y Fs(is)g(the)g(reduced)h(mass,)e Fp(\022)i Fs(is)g(the)e(Einstein)j(temp)q(erature,)d(and)h Fp(T)20 b Fs(is)14 b(the)g(temp)q(erature.)20 b(The)14 b(built)0 2155 y(in)19 b(function)g(is)g(easier,)g(b)q(ecause)h(it)e (gets)g(the)h(units)g(righ)o(t)f(the)g(\014rst)g(time)h(and)f(it)h (\014gures)f(out)g(the)h(reduced)0 2210 y(mass)c(for)f(the)h(curren)o (t)h(path.)j(The)d(syn)o(tax)e(is)91 2273 y Fl(eins\()23 b(temp,)g(theta\).)0 2337 y Fs(F)l(or)16 b(m)o(ultiple)i(scattering)e (paths,)g(the)h(reduced)g(mass)f(of)g(the)g(whole)h(path)f(is)h(used)g (\(that)f(is,)g(b)o(y)h(adding)g(the)0 2392 y(recipro)q(cals)j(of)f (the)f(masses\).)31 b(Lik)o(e)19 b(for)g(the)f Fl(debye)h Fs(function,)h Fl(temp)e Fs(and)h Fl(theta)f Fs(are)h(Math)f (Expressions,)0 2446 y(and)h(can)g(b)q(e)h(n)o(um)o(b)q(ers,)g(\\set")e (v)m(alues,)i(or)f(v)m(ariables.)32 b(The)20 b(Einstein)g(mo)q(del)g (seems)f(to)f(w)o(ork)g(b)q(etter)h(than)0 2501 y(the)e(Deb)o(y)o(e)f (mo)q(del)i(for)e(single)i(scattering)f(paths)f(with)h(small)h (disorders,)f(but)g(y)o(our)f(mileage)i(ma)o(y)e(v)m(ary)l(.)24 b(A)o(t)0 2555 y(this)14 b(p)q(oin)o(t)g(w)o(e)g(recommend)g(trying)f (b)q(oth)h(the)g(Einstein)h(and)f(Deb)o(y)o(e)g(mo)q(del,)g(and)g (seeing)h(whic)o(h)f(giv)o(es)g(b)q(etter)0 2610 y(results.)p eop %%Page: 16 17 16 16 bop 0 100 a Fq(Chapter)22 b(5)1612 b Fn(16)p 0 118 1950 2 v 0 245 a Fm(Go)r(o)r(dness)24 b(of)g(Fit)g(and)h(Uncertain) n(ties)e(in)h(V)-6 b(ariables)91 418 y Fs(This)19 b(c)o(hapter)f(deals) i(with)e(statistics)h(and)g(error)e(analysis,)j(a)e(\014eld)i(that)e (is)h(b)o(y)f(its)h(nature)f(uncertain.)0 473 y(The)f(pro)q(cedures)g (used)g(b)o(y)g Fr(feffit)g Fs(are)f(as)g(close)h(to)f(the)h (\\standard)f(tec)o(hniques)h(of)f(data)g(\014tting)h(and)g(error)0 527 y(analysis")g(as)f(p)q(ossible.)25 b(See)17 b Fg(Data)f(Reduction)i (and)e(Error)g(Analysis)h(for)f(the)h(Ph)o(ysical)g(Sciences)h Fs(b)o(y)f(Philip)0 582 y(R.)d(Bevington)h(and)f Fg(Numerical)i(Recip)q (es)g Fs(b)o(y)e(Press,)g Fe(et)h(al.)20 b Fs(for)13 b(go)q(o)q(d)h(in)o(tro)q(ductions)h(to)f(these)g(topics.)20 b(If)14 b(y)o(ou)0 636 y(think)i(that)e(an)o(y)h(issues)h(of)f (\014tting)h(or)e(error)h(analysis)h(are)f(b)q(eing)h(o)o(v)o(erlo)q (ok)o(ed)f(or)g(could)h(b)q(e)g(impro)o(v)o(ed,)f(please)0 691 y(let)j(us)h(kno)o(w.)28 b(The)18 b(topics)g(in)h(this)g(c)o (hapter)e(are)h(extremely)h(imp)q(ortan)o(t)e(to)h(XAFS)g(data)f (analysis)i(and)f(w)o(e)0 745 y(w)o(elcome)e(an)o(y)e(discussion)j(of)e (them.)0 840 y Ff(5.1)90 b Fp(\037)197 823 y Fk(2)239 840 y Ff(as)20 b(a)g(measure)h(of)f(the)g(Go)r(o)r(dness)g(of)g(Fit)91 905 y Fs(The)d(b)q(est)h(set)f(of)g(v)m(ariables)h(in)g Fr(feffit)g Fs(will)h(minimize)g(the)f(sum)f(of)g(the)g(squares)g(of)g (the)g(di\013erence)h(of)0 959 y(mo)q(del)f(and)e(data)h(XAFS.)f(The)h (statistic)g(called)h(c)o(hi-square,)f(written)g Fp(\037)1292 943 y Fk(2)1313 959 y Fs(,)f(is)h(a)g(scaled)g(measure)g(of)f(the)h (sum)0 1014 y(of)f(squares)f(of)h(a)g(function,)g(is)g(generally)i (considered)f(the)f(b)q(est)g(\014gure)g(of)g(merit)g(to)f(judge)i(the) f(qualit)o(y)g(of)g(the)0 1068 y(\014t.)20 b(The)15 b(standard)g (de\014nition)i(of)e Fp(\037)641 1052 y Fk(2)662 1068 y Fs(,)813 1168 y Fp(\037)841 1150 y Fk(2)875 1168 y Fs(=)939 1111 y Fh(N)923 1125 y Fj(X)926 1222 y Fh(i)p Fk(=1)988 1104 y Fj(\022)1027 1138 y Fp(f)1049 1145 y Fh(i)p 1027 1158 38 2 v 1029 1199 a Fp(\017)1047 1206 y Fh(i)1070 1104 y Fj(\023)1104 1114 y Fk(2)1124 1168 y Fp(;)720 b Fs(\(5)p Fp(:)p Fs(1\))0 1300 y(requires)16 b(3)g(quan)o(tities:)21 b(\(1\))14 b Fp(f)533 1307 y Fh(i)549 1300 y Fs(,)h(the)h(function)g(to)f(minimize;)j(\(2\))c Fp(N)5 b Fs(,)15 b(the)h(n)o(um)o(b)q(er)g(of)f(function)h(ev)m (aluations;)0 1355 y(and)f(\(3\))f Fp(\017)179 1362 y Fh(i)194 1355 y Fs(,)h(the)g(uncertain)o(ties)g(in)h(the)f(function)g (to)f(minimize.)22 b Fr(feffit)16 b Fs(allo)o(ws)f(the)g(\014t)g(to)f (b)q(e)h(done)g(in)h Fp(R)p Fs(-)e(or)0 1409 y Fp(k)q Fs(-space,)g(but)f(there)h(is)g(no)f(conceptual)h(di\013erence)h(in)f (the)g(w)o(a)o(y)e(the)h(\014t)h(is)g(done.)19 b(In)14 b(either)g(case,)g(the)f(function)0 1464 y(to)h(minimize)j(consists)f (of)e(the)h(real)g(and)g(imaginary)g(parts)g(of)f(the)h(di\013erence)h (b)q(et)o(w)o(een)f(data)g(and)g(full)h(mo)q(del)0 1519 y(XAFS)e(\(either)20 b(~)-29 b Fp(\037)q Fs(\()p Fp(R)p Fs(\))13 b(or)18 b(~)-28 b Fp(\037)p Fs(\()p Fp(k)q Fs(\)\))13 b(o)o(v)o(er)g(the)h(\014t)g(range.)19 b(T)l(o)14 b(b)q(e)g(sp)q (eci\014c,)i(when)e(\014tting)g(in)h Fp(R)p Fs(-space)f(the)g(function) 0 1573 y(to)h(minimize)i(is)414 1631 y Fp(f)5 b Fs(\()p Fp(R)494 1638 y Fh(i)509 1631 y Fs(\))12 b(=)19 b(~)-29 b Fp(\037)615 1638 y Fk(data)688 1631 y Fs(\()p Fp(R)741 1638 y Fh(i)756 1631 y Fs(\))9 b Fi(\000)16 b Fs(~)-28 b Fp(\037)857 1638 y Fk(mo)q(del)955 1631 y Fs(\()p Fp(R)1008 1638 y Fh(i)1022 1631 y Fs(\))p Fp(;)98 b(R)1186 1638 y Fk(min)1261 1631 y Fi(\024)13 b Fp(R)1344 1638 y Fh(i)1371 1631 y Fi(\024)g Fp(R)1454 1638 y Fk(max)1523 1631 y Fp(;)321 b Fs(\(5)p Fp(:)p Fs(2\))0 1721 y(and)15 b(when)h(\014tting)f (in)h Fp(k)q Fs(-space,)g(the)f(function)h(to)f(minimize)i(is)447 1834 y Fp(f)5 b Fs(\()p Fp(k)516 1841 y Fh(i)531 1834 y Fs(\))12 b(=)18 b(~)-28 b Fp(\037)637 1841 y Fk(data)710 1834 y Fs(\()p Fp(k)752 1841 y Fh(i)767 1834 y Fs(\))9 b Fi(\000)16 b Fs(~)-28 b Fp(\037)868 1841 y Fk(mo)q(del)966 1834 y Fs(\()p Fp(k)1008 1841 y Fh(i)1022 1834 y Fs(\))p Fp(;)98 b(k)1175 1841 y Fk(min)1250 1834 y Fi(\024)13 b Fp(k)1322 1841 y Fh(i)1349 1834 y Fi(\024)g Fp(k)1421 1841 y Fk(max)1490 1834 y Fp(:)354 b Fs(\(5)p Fp(:)p Fs(3\))0 1946 y(F)l(or)11 b(the)g(rest)g(of)f(this)i(c)o(hapter,)f (I'll)i(use)e Fp(f)703 1953 y Fh(i)730 1946 y Fs(as)f(the)i(elemen)o (ts)g(of)e(the)i(function)g(to)e(minimize,)k(without)d(sp)q(ecifying)0 2001 y(whic)o(h)18 b(of)g(the)f(t)o(w)o(o)g(options)g(is)h(used.)28 b(Note)17 b(that)g(these)h(elemen)o(ts)g(are)f(squared)h(in)h(Eq.)e (\(5.1\),)f(so)h(that)g(the)0 2055 y(sign)f(of)e Fp(f)167 2062 y Fh(i)198 2055 y Fs(is)i(unimp)q(ortan)o(t.)91 2120 y(Since)24 b(there)f(is)g(one)g(real)g(and)g(one)g(imaginary)g(ev) m(aluation)h(for)f(eac)o(h)f(data)h(p)q(oin)o(t,)h(the)f(n)o(um)o(b)q (er)g(of)0 2175 y(ev)m(aluations)17 b(is)f Fp(N)h Fs(=)d(2\()p Fp(R)462 2182 y Fk(max)540 2175 y Fi(\000)d Fp(R)621 2182 y Fk(min)683 2175 y Fs(\))p Fp(=\016)r(R)k Fs(when)h(\014tting)f (in)i Fp(R)p Fs(-space)e(and)h Fp(N)i Fs(=)13 b(2\()p Fp(k)1533 2182 y Fk(max)1612 2175 y Fi(\000)d Fp(k)1681 2182 y Fk(min)1744 2175 y Fs(\))o Fp(=\016)r(k)16 b Fs(when)0 2239 y(\014tting)g(in)g Fp(k)q Fs(-space.)21 b(Here)15 b Fp(\016)r(R)h Fs(and)f Fp(\016)r(k)i Fs(are)e(the)g(grid)h(spacing)g (in)g Fp(R)p Fs(-)g(and)f Fp(k)q Fs(-space)h(\()p Fp(\016)r(k)g Fs(is)g(set)f(to)g(0)p Fp(:)p Fs(05)1823 2231 y(\027)1823 2239 y(A)1856 2211 y Fd(\000)p Fk(1)1920 2239 y Fs(\).)0 2294 y Fp(R)35 2301 y Fk(min)111 2294 y Fs(and)f Fp(R)233 2301 y Fk(max)315 2294 y Fs(\(or)f Fp(k)411 2301 y Fk(min)487 2294 y Fs(and)h Fp(k)598 2301 y Fk(max)667 2294 y Fs(\))g(are)f(the)h (b)q(ounds)h(of)e(the)h(\014tting)g(range.)19 b(Since)c Fp(\016)r(R)f Fs(and)f Fp(\016)r(k)i Fs(are)f(c)o(hosen)0 2348 y(arbitrarily)l(,)h Fp(N)j Fs(has)c(no)f(ph)o(ysical)j (signi\014cance)f(and)f(is)h(not)e(the)h(righ)o(t)g(n)o(um)o(b)q(er)g (to)f(use)h(if)h(the)f(scale)g(of)g Fp(\037)1831 2332 y Fk(2)1865 2348 y Fs(is)h(to)0 2403 y(b)q(e)e(meaningful.)21 b(The)12 b(b)q(est)h(n)o(um)o(b)q(er)g(to)f(use)h(is)g(the)f(n)o(um)o (b)q(er)h(of)f(relev)m(an)o(t)h(indep)q(enden)o(t)i(measuremen)o(ts,)d (giv)o(en)0 2458 y(b)o(y)18 b(the)g(amoun)o(t)f(of)h(information)g(in)h (the)f(data)g(concerning)h(the)f(atomic)g(distribution)i(around)e(the)g (cen)o(tral)0 2512 y(atom.)33 b(Note)20 b(that)f(although)h(the)g(p)q (oin)o(ts)h(of)e Fp(\026)p Fs(\()p Fp(E)s Fs(\))g(are)h(all)h(indep)q (enden)o(t)h(measuremen)o(ts)e(of)f(absorption,)0 2567 y(they)e(are)g Fe(not)22 b Fs(indep)q(enden)o(t)d(measuremen)o(ts)e(of) g(the)g(atomic)g(distribution)i(function,)f(whic)o(h)g(is)g(what)f(w)o (e're)0 2621 y(in)o(terested)k(in)g(when)g(analyzing)h(data.)35 b(F)l(rom)20 b(basic)h(information)g(theory)l(,)g(the)g(n)o(um)o(b)q (er)f(of)h(indep)q(enden)o(t)0 2676 y(measuremen)o(ts)15 b(in)h(a)f(sp)q(ectrum)g(is)h(giv)o(en)g(b)o(y)511 2812 y Fp(N)548 2819 y Fk(idp)613 2812 y Fs(=)667 2781 y(2\()p Fp(k)732 2788 y Fk(max)810 2781 y Fi(\000)11 b Fp(k)880 2788 y Fk(min)942 2781 y Fs(\)\()p Fp(R)1013 2788 y Fk(max)1091 2781 y Fi(\000)g Fp(R)1172 2788 y Fk(min)1234 2781 y Fs(\))p 667 2802 585 2 v 945 2843 a Fp(\031)1312 2812 y Fs(+)56 b(2)p Fp(:)418 b Fs(\(5)p Fp(:)p Fs(4\))p eop %%Page: 17 18 17 17 bop 0 100 a Fr(feffit)413 b Fg(Go)q(o)q(dness)16 b(of)e(Fit)i(and)f(Uncertain)o(ties)h(in)g(V)l(ariables)414 b Fn(17)p 0 118 1950 2 v 0 245 a Fs(The)17 b(qualitativ)o(e)h(argumen)o (ts)d(for)i(this)g(are)f(\(1\))g(that)g(the)h(conjugate)f(F)l(ourier)h (v)m(ariables)h(are)f Fp(k)g Fs(and)g(2)p Fp(R)p Fs(;)g(\(2\))0 300 y(that)i(since)i(w)o(e're)e(measuring)h(real)g(and)g(imaginary)g (parts)f(of)25 b(~)-28 b Fp(\037)p Fs(\()p Fp(R)p Fs(\),)20 b(the)f(information)h(m)o(ust)g(b)q(e)g(an)g(ev)o(en)0 355 y(n)o(um)o(b)q(er)13 b(of)g(p)q(oin)o(ts;)h(and)f(\(3\))f(w)o(e)h (m)o(ust)g(ha)o(v)o(e)f(at)h(least)g(one)g(pair)h(of)e(p)q(oin)o(ts,)i (ev)o(en)f(for)g(an)g(in\014nitesimally)j(small)0 409 y Fp(R)p Fs(-range.)k Fp(\037)220 393 y Fk(2)256 409 y Fs(is)15 b(then)624 555 y Fp(\037)652 536 y Fk(2)686 555 y Fs(=)734 493 y Fh(N)763 498 y Fb(idp)738 511 y Fj(X)741 608 y Fh(i)p Fk(=1)808 491 y Fj(\022)847 524 y Fp(f)869 531 y Fh(i)p 847 544 38 2 v 849 586 a Fp(\017)867 593 y Fh(i)890 491 y Fj(\023)923 500 y Fk(2)956 555 y Fs(=)1010 524 y Fp(N)1047 531 y Fk(idp)p 1010 544 90 2 v 1034 586 a Fp(N)1129 498 y Fh(N)1112 511 y Fj(X)1115 608 y Fh(i)p Fk(=1)1178 491 y Fj(\022)1216 524 y Fp(f)1238 531 y Fh(i)p 1216 544 38 2 v 1218 586 a Fp(\017)1236 593 y Fh(i)1259 491 y Fj(\023)1293 500 y Fk(2)1313 555 y Fp(:)531 b Fs(\(5)p Fp(:)p Fs(5\))0 725 y(W)l(e)17 b(are)f(still)i(left)f(with)g Fp(\017)451 732 y Fh(i)467 725 y Fs(,)f(the)h(uncertain)o(t)o(y)g(in)g(the)g(measuremen)o(t,)f (whic)o(h)h(w)o(e'll)h(return)e(to)g(in)i(the)e(section)0 779 y(5.2.)21 b(T)l(o)16 b(simplify)i(matters)c(\(and)i(b)q(ecause)h(w) o(e)f(don't)f(kno)o(w)h(an)o(ything)g(b)q(etter)g(to)f(do\))h Fr(feffit)h Fs(uses)f(a)g(single)0 834 y(v)m(alue)h Fp(\017)f Fs(for)f(all)i(v)m(alues)f(of)g Fp(\017)492 841 y Fh(i)507 834 y Fs(.)22 b(If)15 b(the)h(uncertain)o(ties)h(are)e(dominated)i(b)o (y)e(random)h(\015uctuations)g(in)g(the)g(data,)0 888 y(then)h(a)f(single)i(v)m(alue)g(for)e Fp(\017)h Fs(is)g(the)f(b)q(est) h(that)f(can)h(b)q(e)g(done)g(an)o(yw)o(a)o(y)l(.)23 b(Assuming)17 b(for)f(the)h(momen)o(t)e(that)h(w)o(e)0 943 y(ha)o(v)o(e)f(a)g(reasonable)g(estimate)g(for)g Fp(\017)p Fs(,)g Fp(\037)691 926 y Fk(2)727 943 y Fs(is)h(then)f(giv)o (en)h(b)o(y)574 1138 y Fp(\037)602 1119 y Fk(2)636 1138 y Fs(=)689 1107 y Fp(N)726 1114 y Fk(idp)p 689 1127 90 2 v 693 1169 a Fp(N)5 b(\017)753 1156 y Fk(2)808 1081 y Fh(N)791 1094 y Fj(X)795 1191 y Fh(i)p Fk(=1)857 1074 y Fj(\032)891 1101 y(\002)910 1138 y Fs(Re)964 1101 y Fj(\000)984 1138 y Fp(f)1006 1145 y Fh(i)1022 1101 y Fj(\001\003)1062 1110 y Fk(2)1092 1138 y Fs(+)1138 1101 y Fj(\002)1156 1138 y Fs(Im)1211 1101 y Fj(\000)1232 1138 y Fp(f)1254 1145 y Fh(i)1269 1101 y Fj(\001\003)1309 1110 y Fk(2)1329 1074 y Fj(\033)1363 1138 y Fp(:)481 b Fs(\(5)p Fp(:)p Fs(6\))0 1336 y(This)17 b(is)f(the)h(de\014nition)h (of)d Fp(\037)514 1319 y Fk(2)551 1336 y Fs(used)i(b)o(y)f Fr(feffit)p Fs(,)h(and)f(is)h(the)f(primary)g(\014gure-of-merit)h(to)e (c)o(haracterize)i(the)0 1390 y(go)q(o)q(dness)f(of)f(the)g(\014t.)20 b(There)c(is)g(a)f(related)h(\014gure-of-merit,)f(called)i(reduced)f(c) o(hi-square,)g(denoted)g Fp(\037)1805 1374 y Fk(2)1805 1401 y Fh(\027)1828 1390 y Fs(.)k(This)0 1445 y(is)e(equal)g(to)e Fp(\037)255 1428 y Fk(2)276 1445 y Fp(=\027)s Fs(,)i(where)f Fp(\027)i Fs(=)e Fp(N)618 1452 y Fk(idp)682 1445 y Fi(\000)11 b Fp(N)765 1452 y Fk(v)n(arys)867 1445 y Fs(is)18 b(the)f(n)o(um)o(b)q (er)h(of)f(degrees)g(of)g(freedom)g(in)h(the)g(\014t,)f(\(where)0 1499 y Fp(N)37 1506 y Fk(v)n(arys)137 1499 y Fs(is)f(the)f(n)o(um)o(b)q (er)g(of)g(v)m(ariables)i(in)f(the)f(\014t\).)91 1578 y Fp(\037)119 1561 y Fk(2)156 1578 y Fs(and)i Fp(\037)274 1561 y Fk(2)274 1589 y Fh(\027)313 1578 y Fs(are)f(useful)h(for)f (comparing)h(the)f(qualit)o(y)h(of)f(di\013eren)o(t)g(\014ts.)23 b(The)17 b(basic)g(rule)g(is)g(that)f(the)g(\014t)0 1632 y(with)j(the)f(lo)o(w)o(est)g Fp(\037)356 1616 y Fk(2)356 1643 y Fh(\027)397 1632 y Fs(is)h(the)f(b)q(est.)30 b(This)19 b(comparison)f(w)o(orks)g(ev)o(en)g(if)h(t)o(w)o(o)e(\014ts)h(ha)o(v)o (e)g(di\013eren)o(t)h(n)o(um)o(b)q(er)f(of)0 1687 y(v)m(ariables.)27 b(The)18 b(criterion)g(for)e(assessing)i(if)f(a)g(particular)h(v)m (ariable)h(is)e(useful)i(in)f(the)f(\014t)g(is)h(that)e Fp(\037)1775 1670 y Fk(2)1775 1698 y Fh(\027)1815 1687 y Fs(will)j(b)q(e)0 1741 y(lo)o(w)o(ered)14 b(for)g(useful)h(v)m (ariables.)21 b(If)14 b(adding)h(a)f(v)m(ariable)h(causes)g Fp(\037)1132 1725 y Fk(2)1166 1741 y Fs(to)f(decrease)h(but)f Fp(\037)1510 1725 y Fk(2)1510 1752 y Fh(\027)1547 1741 y Fs(to)f(increase,)i(the)f(\014t)g(is)0 1796 y(not)h(impro)o(v)o(ed.) 91 1874 y(If)f(the)g(errors)f(are)g(dominated)h(b)o(y)g(random)f (\015uctuations)i(in)f(the)g(data,)f(a)h(go)q(o)q(d)f(\014t)h(should)h (ha)o(v)o(e)e Fp(\037)1831 1858 y Fk(2)1831 1885 y Fh(\027)1867 1874 y Fi(\030)g Fs(1.)0 1929 y(If)g(y)o(ou)e(w)o(an)o(t)h(to)f(get)h (pic)o(ky)l(,)h(the)g(exp)q(ected)g(deviation)g(of)f Fp(\037)1019 1912 y Fk(2)1019 1940 y Fh(\027)1055 1929 y Fs(is)g(roughly)1260 1890 y Fj(p)p 1305 1890 71 2 v 39 x Fs(2)p Fp(=\027)s Fs(,)h(so)e(that)h(an)o(y)g Fp(\037)1661 1912 y Fk(2)1661 1940 y Fh(\027)1697 1929 y Fp(>)h Fs(1)t(+)t(2)1834 1890 y Fj(p)p 1879 1890 V 39 x Fs(2)p Fp(=\027)0 1983 y Fs(w)o(ould)g(clearly)i(indicate)f(a)f(p)q(o)q(or)g(\014t.)19 b(Our)14 b(exp)q(erience)h(is)f(that)e Fp(\037)1138 1967 y Fk(2)1138 1994 y Fh(\027)1174 1983 y Fs(is)i(rarely)f(this)h(close)f (to)g(1)g(for)f(concen)o(trated)0 2038 y(samples,)i(ev)o(en)f(for)g (\014ts)g(that)g(lo)q(ok)g(excellen)o(t)i(b)o(y)e(ey)o(e.)20 b(W)l(e)13 b(usually)i(\014nd)f Fp(\037)1306 2021 y Fk(2)1306 2049 y Fh(\027)1342 2038 y Fs(to)e(b)q(e)i(more)f(lik)o(e)i(10)d(or)h (100!)18 b(This)0 2092 y(means)e(that)e(the)i(di\013erence)h(b)q(et)o (w)o(een)f(the)f(data)g(and)h(\014t)g(is)g(m)o(uc)o(h)f(bigger)h(than)f (the)h(estimated)g(uncertain)o(t)o(y)0 2147 y(in)e(the)f(data)g (\(again,)g(the)g(p)q(esky)h Fp(\017)p Fs(\).)19 b(The)14 b(most)e(lik)o(ely)j(reasons)e(for)f(a)h Fp(\037)1257 2130 y Fk(2)1257 2158 y Fh(\027)1293 2147 y Fs(v)o(ery)g(di\013eren)o (t)h(from)e(1,)h(are:)19 b(\(1\))12 b(the)0 2201 y Fr(feff)17 b Fs(mo)q(del)g(is)f(not)g(a)f(go)q(o)q(d)h(represen)o(tation)g(of)f (the)h(data,)f(\(2\))g Fp(\017)h Fs(is)h(a)e(p)q(o)q(or)h(estimate)g (of)f(the)h(measuremen)o(t)0 2256 y(uncertain)o(t)o(y)h(of)f(the)h (data,)f(or)h(\(3\))e(the)i(\014t)g Fp(R)p Fs(-range)f(do)q(es)i(not)e (re\015ect)h(the)g(paths)g(sp)q(eci\014ed)i(in)e(the)g(\014t.)25 b(Our)0 2310 y(curren)o(t)c(thinking)h(is)g(that,)f(sorry)f(to)h(sa)o (y)l(,)g Fr(feff)i Fs(is)e(p)q(o)q(or)g(enough)h(that)e(it)h(will)i (not)d(matc)o(h)h(the)g(data)f(of)0 2365 y(concen)o(trated)14 b(samples)g(to)f(within)i(the)f(measuremen)o(t)f(uncertain)o(t)o(y)l(.) 20 b(\(In)14 b(the)g(example)g(in)h(app)q(endix)g(A,)f(a)f(\014t)0 2419 y(to)i(the)g(\014rst)g(shell)h(of)f(Cu)g(metal)h(giv)o(es)f Fp(\037)722 2403 y Fk(2)722 2431 y Fh(\027)758 2419 y Fi(\031)e Fs(20.\))91 2498 y(A)j(p)q(o)q(orly)h(scaled)g Fp(\037)448 2481 y Fk(2)485 2498 y Fs(is)f(not)g(a)g(big)g(deal)h(if)g (it)f(is)h(used)g(only)f(to)g(compare)f(the)i(go)q(o)q(dness)f(of)g (\014t)g(b)q(et)o(w)o(een)0 2552 y(di\013eren)o(t)g(mo)q(dels.)22 b(And)16 b(w)o(e're)f(mostly)g(willing)j(to)d(sa)o(y)g(that,)f(ev)o(en) i(though)g Fr(feff)h Fs(do)q(esn't)e(matc)o(h)g(our)h(data)0 2607 y(to)g(within)i(the)e(measuremen)o(t)h(uncertain)o(ties,)g(w)o(e)g (can)f(still)i(rely)g(on)e(the)h(structural)f(parameters)g(that)g(a)g (\014t)0 2661 y(to)j(a)g Fr(feff)i Fs(mo)q(del)g(will)g(giv)o(e.)34 b(But)20 b(w)o(e)f(do)h(run)g(in)o(to)f(a)h(serious)g(problem)g(when)g (trying)g(to)f(in)o(terpret)h(the)0 2716 y(meaning)f(of)f(a)f Fp(\037)308 2699 y Fk(2)308 2727 y Fh(\027)349 2716 y Fi(\035)h Fs(1.)29 b(Sp)q(eci\014cally)l(,)21 b(it)e(is)g(not)e(clear)i (from)e(the)i(v)m(alue)g(of)f Fp(\037)1414 2699 y Fk(2)1414 2727 y Fh(\027)1455 2716 y Fs(alone)h(if)f(hard-to-estimate)0 2770 y(systematic)11 b(errors)g(are)h(dro)o(wning)f(out)h(the)f(random) h(measuremen)o(t)f(errors)g(or)g(if)h(the)g(\014t)f(is)h(truly)g(bad.) 19 b(T)l(o)12 b(help)0 2825 y(distinguish)17 b(these)e(t)o(w)o(o)e(v)o (ery)i(di\013eren)o(t)g(conclusions,)h(it)f(is)g(con)o(v)o(enien)o(t)g (to)f(in)o(tro)q(duce)i(an)f Fi(R)p Fs(-factor,)e(whic)o(h)i(is)p eop %%Page: 18 19 18 18 bop 0 100 a Fr(feffit)413 b Fg(Go)q(o)q(dness)16 b(of)e(Fit)i(and)f(Uncertain)o(ties)h(in)g(V)l(ariables)414 b Fn(18)p 0 118 1950 2 v 0 245 a Fs(scaled)16 b(to)f(the)g(magnitude)h (of)e(the)i(data)e(itself,)549 440 y Fi(R)f Fs(=)749 307 y Fh(N)732 321 y Fj(X)736 418 y Fh(i)p Fk(=1)798 300 y Fj(\032)832 327 y(\002)851 364 y Fs(Re)905 327 y Fj(\000)925 364 y Fp(f)947 371 y Fh(i)963 327 y Fj(\001\003)1003 336 y Fk(2)1033 364 y Fs(+)1079 327 y Fj(\002)1097 364 y Fs(Im)1152 327 y Fj(\000)1173 364 y Fp(f)1195 371 y Fh(i)1210 327 y Fj(\001\003)1250 336 y Fk(2)1270 300 y Fj(\033)p 654 429 729 2 v 671 461 a Fh(N)654 475 y Fj(X)657 572 y Fh(i)p Fk(=1)720 454 y Fj(\032)754 481 y(\002)773 518 y Fs(Re)826 481 y Fj(\000)853 518 y Fs(~)-29 b Fp(\037)875 525 y Fk(data)946 529 y Fa(i)963 481 y Fj(\001\003)1003 490 y Fk(2)1033 518 y Fs(+)1079 481 y Fj(\002)1097 518 y Fs(Im)1152 481 y Fj(\000)1178 518 y Fs(~)h Fp(\037)1201 525 y Fk(data)1272 529 y Fa(i)1288 481 y Fj(\001\003)1328 490 y Fk(2)1348 454 y Fj(\033)1388 440 y Fp(;)456 b Fs(\(5)p Fp(:)p Fs(7\))0 640 y(This)18 b(n)o(um)o(b)q(er)g(is)g(directly)h(prop)q(ortional)f(to)f Fp(\037)840 623 y Fk(2)861 640 y Fs(,)g(and)h(giv)o(es)g(a)f (sum-of-squares)g(measure)h(of)f(the)h(fractional)0 694 y(mis\014t.)28 b(\(W)l(e)17 b(should)i(men)o(tion)f(that)e(most)h(of)h (the)f(other)h(XAFS)f(analysis)i(programs)d(use)i(a)f(n)o(um)o(b)q(er)h (more)0 749 y(lik)o(e)e(this)g Fi(R)f Fs(for)f(their)i(de\014nition)h (of)e Fp(\037)686 732 y Fk(2)706 749 y Fs(.\))20 b(Since)d Fi(R)d Fs(do)q(es)i(not)e(dep)q(end)j(on)e Fp(N)5 b Fs(,)15 b Fp(N)1440 756 y Fk(idp)1492 749 y Fs(,)g(or)f Fp(\017)p Fs(,)h(it)h(has)f(a)g(di\013eren)o(t)0 803 y(in)o(terpretation)h(than)h Fp(\037)426 787 y Fk(2)446 803 y Fs(.)23 b(As)17 b(long)f(as)g(the)g (measuremen)o(t)g(uncertain)o(t)o(y)h(isn't)f(a)g(signi\014can)o(t)h (fraction)f(of)g(the)0 858 y(measuremen)o(t)f(itself)h(\(so)f(that)f (the)i(signal-to-noise)g(ratio)f(is)h(m)o(uc)o(h)f(less)h(than)g(1\))e (w)o(e)h(can)h(b)q(e)g(con\014den)o(t)g(that)0 912 y(an)o(y)e(\014t)h (with)f(an)h Fi(R)p Fs(-factor)e(bigger)i(than)f(a)g(few)h(p)q(ercen)o (t)g(is)g(not)f(a)g(v)o(ery)g(go)q(o)q(d)h(\014t.)k(F)l(or)14 b(go)q(o)q(d)g(\014ts)h(to)f(carefully)0 967 y(measured)i(data)f(on)g (concen)o(trated)g(samples,)h Fi(R)874 978 y(\030)874 953 y Fp(<)922 967 y Fs(0)p Fp(:)p Fs(02)e(and)i Fp(\037)1135 950 y Fk(2)1135 978 y Fh(\027)1171 967 y Fp(>)e Fs(10)h(are)g(common.) 20 b(Suc)o(h)c(\014ts)g(are)f(clearly)0 1021 y(quite)f(go)q(o)q(d,)g (as)f(the)g(theory)h(and)f(data)g(agree)g(within)i(a)e(p)q(ercen)o(t.) 20 b(But)14 b(since)h(the)e(mis\014t)h(is)g(m)o(uc)o(h)g(larger)f(than) 0 1076 y(the)g(random)g(\015uctuations)h(in)g(the)f(measured)g(data,)g (w)o(e're)f(left)i(with)f(the)g(conclusion)i(that)e(systematic)g (errors)0 1130 y(dominate)i(suc)o(h)h(\014ts.)0 1214 y Ff(5.2)90 b(The)21 b(measuremen)n(t)g(uncertain)n(t)n(y)g(problem)91 1278 y Fs(Estimating)13 b Fp(\017)p Fs(,)g(the)g(measuremen)o(t)g (uncertain)o(t)o(y)g(in)g(the)g(data)g(o)o(v)o(er)f(the)h(\014t)f (range,)h(is)g(the)g(main)h(di\016cult)o(y)0 1332 y(in)j(the)g(error)e (analysis)i(in)h Fr(feffit)p Fs(.)24 b Fp(\017)17 b Fs(con)o(tains)f(b) q(oth)h(random)f(\015uctuations)g(and)h(systematic)f(errors)g(in)h(the) 0 1387 y(data.)h(The)13 b(random)f(\015uctuations)h(of)f(the)h(data)f (in)h Fp(R)p Fs(-space)g(can)g(b)q(e)g(estimated)g(b)o(y)f(ev)m (aluating)i(the)f(rms)f(v)m(alue)0 1441 y(of)h(the)19 b(~)-28 b Fp(\037)p Fs(\()p Fp(R)p Fs(\))13 b(b)q(et)o(w)o(een)g(15)g (and)h(25)604 1433 y(\027)604 1441 y(A.)f(This)h(assumes)f(that)g(the)g (\015uctuations)h(are)f(white)h(noise,)g(and)g(that)f(they)0 1496 y(are)i(m)o(uc)o(h)g(bigger)h(than)f(the)g(signal)h(past)f(15)792 1488 y(\027)792 1496 y(A.)91 1560 y(Systematic)k(errors)f(in)h(the)g (data)f(are)h(m)o(uc)o(h)g(more)f(di\016cult)i(to)e(estimate.)31 b(\(If)18 b(y)o(ou)h(could)h(accurately)0 1614 y(estimate)i(their)h (size)h(y)o(ou)e(could)h(probably)g(eliminate)i(them\).)41 b(Some)23 b(things)g(that)e(ma)o(y)h(dominate)h(the)0 1669 y(systematic)e(errors)g(of)27 b(~)-29 b Fp(\037)q Fs(\()p Fp(R)p Fs(\))21 b(are)g(\(1\))g(leak)m(age)h(of)f(an)h(imp)q (erfect)g(bac)o(kground)g(in)o(to)f(the)h(\014rst)f(few)h(shells,)0 1723 y(and)15 b(\(2\))f(systematic)h(errors)g(in)h(measuremen)o(ts)e (of)h Fp(\026)p Fs(\()p Fp(E)s Fs(\).)k(Y)l(ou)c(ma)o(y)g(b)q(e)g(able) h(to)f(estimate)g(the)g(size)h(of)f(these)0 1778 y(systematic)d(errors) f(b)o(y)i(trying)f(di\013eren)o(t)g(\\reasonable")g(bac)o(kground)g (remo)o(v)m(als,)h(whic)o(h,)g(though)f(tedious,)h(will)0 1832 y(giv)o(e)h(an)g(estimate)g(of)f(the)h(\014rst)g(systematic)g (error.)k(Analyzing)e(di\013eren)o(t)e(data)f(scans)h(\(tak)o(en)f (under)i(di\013eren)o(t)0 1887 y(exp)q(erimen)o(tal)f(conditions\))g (ma)o(y)e(help)j(giv)o(e)e(an)g(estimate)f(of)h(the)g(second)g(kind)h (of)f(systematic)g(error.)18 b(Though)0 1941 y(strictly)d(not)e(a)h (systematic)g(error)f(in)i(the)g(data,)e(a)h(third)g(source)h(of)e (systematic)h(errors)g(in)g(the)h(\014t)f(comes)g(from)0 1996 y(the)20 b Fr(feff)i Fs(calculation)g(itself.)36 b(Suc)o(h)21 b(errors)e(are)h(imp)q(ortan)o(t)g(b)q(ecause)h(they)f(do) h(con)o(tribute)f(to)g(the)g(small)0 2050 y(amoun)o(t)14 b(of)h(mis\014t)h(exp)q(ected)g(in)g(a)f(go)q(o)q(d)g(\014t.)91 2114 y(The)c(scale)h(of)e Fp(\017)h Fs(dep)q(ends)i(on)e(the)g(F)l (ourier)g(T)l(ransform)f(parameters)g(used)h(\(suc)o(h)g(as)f Fp(k)q Fs(-w)o(eigh)o(t,)i(ranges,)f(and)0 2169 y(windo)o(w)h (functions\),)h(whic)o(h)g(mak)o(es)e Fp(\017)h Fs(di\016cult)i(to)d (in)o(terpret,)h(and)h(not)e(a)h(v)o(ery)f(in)o(tuitiv)o(e)j(quan)o (tit)o(y)l(.)k(Assuming)0 2223 y(that)c(the)h(noise)h(is)f(dominated)g (b)o(y)g(random)g(\015uctuations)g Fp(\017)1054 2230 y Fh(R)1099 2223 y Fs(is)g(linearly)i(related)e(to)g Fp(\017)1532 2230 y Fh(k)1569 2223 y Fs(\(the)g(\015uctuations)g(in)0 2278 y(the)g(un\014ltered)i(data)d Fp(\037)p Fs(\()p Fp(k)q Fs(\)\),)h(the)g(measuremen)o(t)g(uncertain)o(t)o(y)g(in)h(the)g Fp(k)q Fs(-space)f(data,)f(according)i(to)674 2398 y Fp(\017)692 2405 y Fh(k)728 2398 y Fs(=)d Fp(\017)794 2405 y Fh(R)824 2319 y Fj(s)p 869 2319 394 2 v 964 2368 a Fp(\031)c Fs(\(2)p Fp(w)h Fs(+)g(1\))p 874 2388 383 2 v 874 2433 a Fp(\016)r(k)f Fs(\()p Fp(k)972 2414 y Fk(2)p Fh(w)q Fk(+1)971 2439 y(max)1076 2433 y Fi(\000)h Fp(k)1146 2414 y Fk(2)p Fh(w)q Fk(+1)1145 2446 y(min)1240 2433 y Fs(\))1263 2398 y Fp(;)581 b Fs(\(5)p Fp(:)p Fs(8\))0 2512 y(where)21 b Fp(w)h Fs(is)g(the)f Fp(k)q Fs(-w)o(eigh)o(ting,)i (and)f Fp(\016)r(k)g Fs(is)g(the)f(spacing)h(b)q(et)o(w)o(een)f(p)q (oin)o(ts)h(in)g Fp(k)q Fs(-space.)38 b Fp(\017)1658 2519 y Fh(q)1679 2512 y Fs(,)22 b(the)f(random)0 2566 y(\015uctuations)14 b(in)h(\014ltered)g Fp(k)q Fs(-space,)g(are)e (found)i(using)f(the)g(same)g(kind)h(of)f(linear)h(relation)f(b)q(et)o (w)o(een)h Fp(\017)1768 2573 y Fh(q)1802 2566 y Fs(and)f Fp(\017)1907 2573 y Fh(R)1937 2566 y Fs(.)91 2630 y(If,)h(for)f(an)o(y) g(reason,)g(y)o(ou)h(ha)o(v)o(e)f(an)h(impro)o(v)o(ed)g(estimate)g(of)f Fp(\017)p Fs(,)h(\(either)g Fp(\017)1351 2637 y Fh(R)1396 2630 y Fs(or)g Fp(\017)1470 2637 y Fh(k)1492 2630 y Fs(\),)g(y)o(ou)f (should)i(de\014nitely)0 2685 y(put)g(it)g(in)o(to)g Fo(feffit.inp)k Fs(with)d(either)g(the)f(k)o(eyw)o(ord)f Fl(epsdat)g Fs(or)h Fl(epsr)p Fs(.)21 b(Note)16 b(that)f(all)i(con)o (tributions)g(to)f Fp(\017)0 2739 y Fs(should)g(b)q(e)g(added)g(in)h (quadrature,)d(and)i(that)f(the)g(v)m(alue)i(used)f(b)o(y)f(default)h (is)g(only)g(the)f(random)g(\015uctuation)0 2794 y(comp)q(onen)o(t.)20 b(If)15 b(y)o(ou)g(sp)q(ecify)i Fp(\017)550 2801 y Fh(k)573 2794 y Fs(,)d(Eq.)h(\(5.8\))f(will)j(b)q(e)e(used)h(to)f(con)o(v)o(ert) f(this)i(to)e Fp(\017)1421 2801 y Fh(R)1452 2794 y Fs(.)p eop %%Page: 19 20 19 19 bop 0 100 a Fr(feffit)413 b Fg(Go)q(o)q(dness)16 b(of)e(Fit)i(and)f(Uncertain)o(ties)h(in)g(V)l(ariables)414 b Fn(19)p 0 118 1950 2 v 0 245 a Ff(5.3)90 b(Error)21 b(estimation)f(for)g(the)g(v)m(ariables)0 1275 y @beginspecial 90 @llx 288 @lly 450 @urx 540 @ury 3600 @rwi @setspecial %%BeginDocument: ellipse.ps %DVIPSCommandLine: dvips -E PSLaTeX2EPSF -o Ellipse.ps %DVIPSParameters: dpi=300, compressed, comments removed %DVIPSSource: TeX output 1995.04.26:1827 /TeXDict 250 dict def TeXDict begin /N{def}def /B{bind def}N /S{exch}N /X{S N}B /TR{translate}N /isls false N /vsize 11 72 mul N /hsize 8.5 72 mul N /landplus90{false}def /@rigin{isls{[0 landplus90{1 -1}{-1 1} ifelse 0 0 0]concat}if 72 Resolution div 72 VResolution div neg scale isls{landplus90{VResolution 72 div vsize mul 0 exch}{Resolution -72 div hsize mul 0}ifelse TR}if Resolution VResolution vsize -72 div 1 add mul TR matrix currentmatrix dup dup 4 get round 4 exch put dup dup 5 get round 5 exch put setmatrix}N /@landscape{/isls true N}B /@manualfeed{ statusdict /manualfeed true put}B /@copies{/#copies X}B /FMat[1 0 0 -1 0 0]N /FBB[0 0 0 0]N /nn 0 N /IE 0 N /ctr 0 N /df-tail{/nn 8 dict N nn begin /FontType 3 N /FontMatrix fntrx N /FontBBox FBB N string /base X array /BitMaps X /BuildChar{CharBuilder}N /Encoding IE N end dup{/foo setfont}2 array copy cvx N load 0 nn put /ctr 0 N[}B /df{/sf 1 N /fntrx FMat N df-tail}B /dfs{div /sf X /fntrx[sf 0 0 sf neg 0 0]N df-tail}B /E{ pop nn dup definefont setfont}B /ch-width{ch-data dup length 5 sub get} B /ch-height{ch-data dup length 4 sub get}B /ch-xoff{128 ch-data dup length 3 sub get sub}B /ch-yoff{ch-data dup length 2 sub get 127 sub}B /ch-dx{ch-data dup length 1 sub get}B /ch-image{ch-data dup type /stringtype ne{ctr get /ctr ctr 1 add N}if}B /id 0 N /rw 0 N /rc 0 N /gp 0 N /cp 0 N /G 0 N /sf 0 N /CharBuilder{save 3 1 roll S dup /base get 2 index get S /BitMaps get S get /ch-data X pop /ctr 0 N ch-dx 0 ch-xoff ch-yoff ch-height sub ch-xoff ch-width add ch-yoff setcachedevice ch-width ch-height true[1 0 0 -1 -.1 ch-xoff sub ch-yoff .1 add]/id ch-image N /rw ch-width 7 add 8 idiv string N /rc 0 N /gp 0 N /cp 0 N{ rc 0 ne{rc 1 sub /rc X rw}{G}ifelse}imagemask restore}B /G{{id gp get /gp gp 1 add N dup 18 mod S 18 idiv pl S get exec}loop}B /adv{cp add /cp X}B /chg{rw cp id gp 4 index getinterval putinterval dup gp add /gp X adv}B /nd{/cp 0 N rw exit}B /lsh{rw cp 2 copy get dup 0 eq{pop 1}{dup 255 eq{pop 254}{dup dup add 255 and S 1 and or}ifelse}ifelse put 1 adv} B /rsh{rw cp 2 copy get dup 0 eq{pop 128}{dup 255 eq{pop 127}{dup 2 idiv S 128 and or}ifelse}ifelse put 1 adv}B /clr{rw cp 2 index string putinterval adv}B /set{rw cp fillstr 0 4 index getinterval putinterval adv}B /fillstr 18 string 0 1 17{2 copy 255 put pop}for N /pl[{adv 1 chg} {adv 1 chg nd}{1 add chg}{1 add chg nd}{adv lsh}{adv lsh nd}{adv rsh}{ adv rsh nd}{1 add adv}{/rc X nd}{1 add set}{1 add clr}{adv 2 chg}{adv 2 chg nd}{pop nd}]dup{bind pop}forall N /D{/cc X dup type /stringtype ne{] }if nn /base get cc ctr put nn /BitMaps get S ctr S sf 1 ne{dup dup length 1 sub dup 2 index S get sf div put}if put /ctr ctr 1 add N}B /I{ cc 1 add D}B /bop{userdict /bop-hook known{bop-hook}if /SI save N @rigin 0 0 moveto /V matrix currentmatrix dup 1 get dup mul exch 0 get dup mul add .99 lt{/QV}{/RV}ifelse load def pop pop}N /eop{SI restore showpage userdict /eop-hook known{eop-hook}if}N /@start{userdict /start-hook known{start-hook}if pop /VResolution X /Resolution X 1000 div /DVImag X /IE 256 array N 0 1 255{IE S 1 string dup 0 3 index put cvn put}for 65781.76 div /vsize X 65781.76 div /hsize X}N /p{show}N /RMat[1 0 0 -1 0 0]N /BDot 260 string N /rulex 0 N /ruley 0 N /v{/ruley X /rulex X V}B /V {}B /RV statusdict begin /product where{pop product dup length 7 ge{0 7 getinterval dup(Display)eq exch 0 4 getinterval(NeXT)eq or}{pop false} ifelse}{false}ifelse end{{gsave TR -.1 -.1 TR 1 1 scale rulex ruley false RMat{BDot}imagemask grestore}}{{gsave TR -.1 -.1 TR rulex ruley scale 1 1 false RMat{BDot}imagemask grestore}}ifelse B /QV{gsave transform round exch round exch itransform moveto rulex 0 rlineto 0 ruley neg rlineto rulex neg 0 rlineto fill grestore}B /a{moveto}B /delta 0 N /tail{dup /delta X 0 rmoveto}B /M{S p delta add tail}B /b{S p tail} B /c{-4 M}B /d{-3 M}B /e{-2 M}B /f{-1 M}B /g{0 M}B /h{1 M}B /i{2 M}B /j{ 3 M}B /k{4 M}B /w{0 rmoveto}B /l{p -4 w}B /m{p -3 w}B /n{p -2 w}B /o{p -1 w}B /q{p 1 w}B /r{p 2 w}B /s{p 3 w}B /t{p 4 w}B /x{0 S rmoveto}B /y{ 3 2 roll p a}B /bos{/SS save N}B /eos{SS restore}B end TeXDict begin /SDict 200 dict N SDict begin /@SpecialDefaults{/hs 612 N /vs 792 N /ho 0 N /vo 0 N /hsc 1 N /vsc 1 N /ang 0 N /CLIP 0 N /rwiSeen false N /rhiSeen false N /letter{}N /note{}N /a4{}N /legal{}N}B /@scaleunit 100 N /@hscale{@scaleunit div /hsc X}B /@vscale{@scaleunit div /vsc X}B /@hsize{/hs X /CLIP 1 N}B /@vsize{/vs X /CLIP 1 N}B /@clip{ /CLIP 2 N}B /@hoffset{/ho X}B /@voffset{/vo X}B /@angle{/ang X}B /@rwi{ 10 div /rwi X /rwiSeen true N}B /@rhi{10 div /rhi X /rhiSeen true N}B /@llx{/llx X}B /@lly{/lly X}B /@urx{/urx X}B /@ury{/ury X}B /magscale true def end /@MacSetUp{userdict /md known{userdict /md get type /dicttype eq{userdict begin md length 10 add md maxlength ge{/md md dup length 20 add dict copy def}if end md begin /letter{}N /note{}N /legal{} N /od{txpose 1 0 mtx defaultmatrix dtransform S atan/pa X newpath clippath mark{transform{itransform moveto}}{transform{itransform lineto} }{6 -2 roll transform 6 -2 roll transform 6 -2 roll transform{ itransform 6 2 roll itransform 6 2 roll itransform 6 2 roll curveto}}{{ closepath}}pathforall newpath counttomark array astore /gc xdf pop ct 39 0 put 10 fz 0 fs 2 F/|______Courier fnt invertflag{PaintBlack}if}N /txpose{pxs pys scale ppr aload pop por{noflips{pop S neg S TR pop 1 -1 scale}if xflip yflip and{pop S neg S TR 180 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{pop S neg S TR pop 180 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{ppr 1 get neg ppr 0 get neg TR}if}{noflips{TR pop pop 270 rotate 1 -1 scale}if xflip yflip and{TR pop pop 90 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{TR pop pop 90 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{TR pop pop 270 rotate ppr 2 get ppr 0 get neg sub neg 0 S TR}if}ifelse scaleby96{ppr aload pop 4 -1 roll add 2 div 3 1 roll add 2 div 2 copy TR .96 dup scale neg S neg S TR}if}N /cp {pop pop showpage pm restore}N end}if}if}N /normalscale{Resolution 72 div VResolution 72 div neg scale magscale{DVImag dup scale}if 0 setgray} N /psfts{S 65781.76 div N}N /startTexFig{/psf$SavedState save N userdict maxlength dict begin /magscale false def normalscale currentpoint TR /psf$ury psfts /psf$urx psfts /psf$lly psfts /psf$llx psfts /psf$y psfts /psf$x psfts currentpoint /psf$cy X /psf$cx X /psf$sx psf$x psf$urx psf$llx sub div N /psf$sy psf$y psf$ury psf$lly sub div N psf$sx psf$sy scale psf$cx psf$sx div psf$llx sub psf$cy psf$sy div psf$ury sub TR /showpage{}N /erasepage{}N /copypage{}N /p 3 def @MacSetUp}N /doclip{ psf$llx psf$lly psf$urx psf$ury currentpoint 6 2 roll newpath 4 copy 4 2 roll moveto 6 -1 roll S lineto S lineto S lineto closepath clip newpath moveto}N /endTexFig{end psf$SavedState restore}N /@beginspecial{SDict begin /SpecialSave save N gsave normalscale currentpoint TR @SpecialDefaults count /ocount X /dcount countdictstack N}N /@setspecial {CLIP 1 eq{newpath 0 0 moveto hs 0 rlineto 0 vs rlineto hs neg 0 rlineto closepath clip}if ho vo TR hsc vsc scale ang rotate rwiSeen{rwi urx llx sub div rhiSeen{rhi ury lly sub div}{dup}ifelse scale llx neg lly neg TR }{rhiSeen{rhi ury lly sub div dup scale llx neg lly neg TR}if}ifelse CLIP 2 eq{newpath llx lly moveto urx lly lineto urx ury lineto llx ury lineto closepath clip}if /showpage{}N /erasepage{}N /copypage{}N newpath }N /@endspecial{count ocount sub{pop}repeat countdictstack dcount sub{ end}repeat grestore SpecialSave restore end}N /@defspecial{SDict begin} N /@fedspecial{end}B /li{lineto}B /rl{rlineto}B /rc{rcurveto}B /np{ /SaveX currentpoint /SaveY X N 1 setlinecap newpath}N /st{stroke SaveX SaveY moveto}N /fil{fill SaveX SaveY moveto}N /ellipse{/endangle X /startangle X /yrad X /xrad X /savematrix matrix currentmatrix N TR xrad yrad scale 0 0 1 startangle endangle arc savematrix setmatrix}N end TeXDict begin @defspecial /gnudict 40 dict def gnudict begin /Color false def /Solid false def /gnulinewidth 5.000 def /vshift -33 def /dl {10 mul} def /hpt 31.5 def /vpt 31.5 def /M {moveto} bind def /L {lineto} bind def /R {rmoveto} bind def /V {rlineto} bind def /vpt2 vpt 2 mul def /hpt2 hpt 2 mul def /Lshow { currentpoint stroke M 0 vshift R show } def /Rshow { currentpoint stroke M dup stringwidth pop neg vshift R show } def /Cshow { currentpoint stroke M dup stringwidth pop -2 div vshift R show } def /DL { Color {setrgbcolor Solid {pop []} if 0 setdash } {pop pop pop Solid {pop []} if 0 setdash} ifelse } def /BL { stroke gnulinewidth 2 mul setlinewidth } def /AL { stroke gnulinewidth 2 div setlinewidth } def /PL { stroke gnulinewidth setlinewidth } def /LTb { BL [] 0 0 0 DL } def /LTa { AL [1 dl 2 dl] 0 setdash 0 0 0 setrgbcolor } def /LT0 { PL [] 0 1 0 DL } def /LT1 { PL [4 dl 2 dl] 0 0 1 DL } def /LT2 { PL [2 dl 3 dl] 1 0 0 DL } def /LT3 { PL [1 dl 1.5 dl] 1 0 1 DL } def /LT4 { PL [5 dl 2 dl 1 dl 2 dl] 0 1 1 DL } def /LT5 { PL [4 dl 3 dl 1 dl 3 dl] 1 1 0 DL } def /LT6 { PL [2 dl 2 dl 2 dl 4 dl] 0 0 0 DL } def /LT7 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 1 0.3 0 DL } def /LT8 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 0.5 0.5 0.5 DL } def /P { stroke [] 0 setdash currentlinewidth 2 div sub M 0 currentlinewidth V stroke } def /D { stroke [] 0 setdash 2 copy vpt add M hpt neg vpt neg V hpt vpt neg V hpt vpt V hpt neg vpt V closepath stroke P } def /A { stroke [] 0 setdash vpt sub M 0 vpt2 V currentpoint stroke M hpt neg vpt neg R hpt2 0 V stroke } def /B { stroke [] 0 setdash 2 copy exch hpt sub exch vpt add M 0 vpt2 neg V hpt2 0 V 0 vpt2 V hpt2 neg 0 V closepath stroke P } def /C { stroke [] 0 setdash exch hpt sub exch vpt add M hpt2 vpt2 neg V currentpoint stroke M hpt2 neg 0 R hpt2 vpt2 V stroke } def /T { stroke [] 0 setdash 2 copy vpt 1.12 mul add M hpt neg vpt -1.62 mul V hpt 2 mul 0 V hpt neg vpt 1.62 mul V closepath stroke P } def /S { 2 copy A C} def end @fedspecial end TeXDict begin 40258437 52099154 1000 300 300 (PSLaTeX2EPSF.dvi) @start /Fa 1 1 df0 D E /Fb 3 100 df48 D50 D99 D E /Fc 4 122 df<130FEB3180EB60C013E03801C0E013801203EA0700A25A120E121EA2EA 1C01123CA3387FFFC0EA7803A33870078012F014005B130EA2485A12605BEA70305BEA30 C0EA1180000FC7FC13237EA217>18 D<000F1420D811C013407F000014809038F00100EB 7002EB7804EB38085C133CEB1C205CEB1E806DC7FC130E130F7F5B1317EB278013431383 380103C0EA020180EA04005A487F48EB708048EB390048131E1B1F7F941F>31 D<3801E0F03806310C38081A1C0010133CEA201C14181400C65AA45BA314083860E01012 F0142038E1704038423080383C1F0016157E941C>120 D<001E131800231338EA438014 701283EA8700A2000713E0120EA3381C01C0A4EB0380A21307EA0C0B380E1700EA03E7EA 0007A2130E1260EAF01C1318485AEA8060EA41C0003FC7FC151F7E9418>I E /Fd 12 67 df<1460A214F0A2497E1478EB027C143CEB043E141EEB081F8001107F14 0701207F140301407F140101807F140048C77E15780002147C153C48143E151E48141F81 48158015074815C01503007FB612E0A2B712F024237EA229>1 D<497EB0B612FEA23900 018000B01F227D9C26>43 D45 D48 D<13801203120F12F31203B3A9EA07C0EAFFFE0F217CA018> III<13021306130EA213 1EA2132E134EA2138EA2EA010E1202A21204A212081210A21220A212401280B512F83800 0E00A7131F3801FFF015217FA018>I<00101380381E0700EA1FFF5B13F8EA13E00010C7 FCA613F8EA130EEA1407381803801210380001C0A214E0A4127012F0A200E013C01280EA 4003148038200700EA1006EA0C1CEA03F013227EA018>I61 D<497EA3497EA3EB05E0A2EB0DF01308A2497E1478A2497EA3497EA3497E A290B5FC3901000780A24814C000021303A24814E01401A2000CEB00F0A2003EEB01F839 FF800FFF20237EA225>65 DI E end TeXDict begin 1 0 bop 164 1824 a @beginspecial @setspecial gnudict begin gsave 50 50 translate 0.100 0.100 scale 0 setgray /Helvetica findfont 100 scalefont setfont newpath -500.000000 -500.000000 translate LTa 480 477 M 2937 0 V 970 151 M 0 1958 V LTb 480 151 M 63 0 V 2874 0 R -63 0 V 480 477 M 63 0 V 2874 0 R -63 0 V 480 804 M 63 0 V 2874 0 R -63 0 V 480 1130 M 63 0 V 2874 0 R -63 0 V 480 1456 M 63 0 V 2874 0 R -63 0 V 480 1783 M 63 0 V 2874 0 R -63 0 V 480 2109 M 63 0 V 2874 0 R -63 0 V 480 151 M 0 63 V 0 1895 R 0 -63 V 970 151 M 0 63 V 0 1895 R 0 -63 V 1459 151 M 0 63 V 0 1895 R 0 -63 V 1949 151 M 0 63 V 0 1895 R 0 -63 V 2438 151 M 0 63 V 0 1895 R 0 -63 V 2928 151 M 0 63 V 0 1895 R 0 -63 V 3417 151 M 0 63 V 0 1895 R 0 -63 V 480 151 M 2937 0 V 0 1958 V -2937 0 V 480 151 L LT0 2199 1540 M 6 2 V 6 2 V 6 2 V 6 2 V 6 2 V 6 2 V 6 2 V 6 1 V 6 2 V 6 2 V 6 2 V 6 2 V 6 2 V 6 2 V 6 1 V 6 2 V 6 2 V 6 2 V 6 1 V 6 2 V 6 2 V 6 2 V 6 1 V 6 2 V 6 2 V 6 1 V 6 2 V 6 2 V 5 1 V 6 2 V 6 1 V 6 2 V 6 1 V 6 2 V 6 1 V 6 2 V 5 1 V 6 2 V 6 1 V 6 2 V 6 1 V 6 2 V 5 1 V 6 2 V 6 1 V 6 1 V 5 2 V 6 1 V 6 1 V 6 2 V 5 1 V 6 1 V 6 1 V 5 2 V 6 1 V 6 1 V 5 1 V 6 1 V 6 1 V 5 2 V 6 1 V 5 1 V 6 1 V 5 1 V 6 1 V 5 1 V 6 1 V 5 1 V 6 1 V 5 1 V 6 1 V 5 1 V 6 1 V 5 1 V 5 1 V 6 1 V 5 1 V 5 0 V 6 1 V 5 1 V 5 1 V 6 1 V 5 0 V 5 1 V 5 1 V 5 1 V 6 0 V 5 1 V 5 1 V 5 0 V 5 1 V 5 0 V 5 1 V 5 1 V 5 0 V 5 1 V 5 0 V 5 1 V 5 0 V 5 1 V 5 0 V 5 1 V 4 0 V 5 1 V 5 0 V 5 0 V 5 1 V 4 0 V 5 0 V 5 1 V 4 0 V 5 0 V 5 0 V 4 1 V 5 0 V 4 0 V 5 0 V 4 0 V 5 1 V 4 0 V 5 0 V 4 0 V 4 0 V 5 0 V 4 0 V 4 0 V 5 0 V 4 0 V 4 0 V 4 0 V 4 0 V 4 0 V 5 0 V 4 0 V 4 0 V 4 -1 V 4 0 V 4 0 V 4 0 V 3 0 V 4 -1 V 4 0 V 4 0 V 4 0 V 4 -1 V 3 0 V 4 0 V 4 -1 V 3 0 V 4 0 V 4 -1 V 3 0 V 4 -1 V 3 0 V 4 -1 V 3 0 V 4 -1 V 3 0 V 3 -1 V 4 0 V 3 -1 V 3 -1 V 3 0 V 4 -1 V 3 0 V 3 -1 V 3 -1 V 3 0 V 3 -1 V 3 -1 V 3 -1 V 3 0 V 3 -1 V 3 -1 V 3 -1 V 2 -1 V 3 0 V 3 -1 V 3 -1 V 2 -1 V 3 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 3 -1 V 2 -1 V 2 -1 V 3 -1 V 2 -1 V 2 -1 V 2 -1 V 3 -2 V 2 -1 V 2 -1 V 2 -1 V 2 -1 V 2 -1 V 2 -2 V 2 -1 V 2 -1 V 2 -1 V 2 -2 V 1 -1 V 2 -1 V 2 -2 V 2 -1 V 1 -1 V 2 -2 V 1 -1 V 2 -2 V 1 -1 V 2 -2 V 1 -1 V 2 -2 V 1 -1 V 1 -2 V 2 -1 V 1 -2 V 1 -1 V 1 -2 V 2 -1 V 1 -2 V 1 -1 V 1 -2 V 1 -2 V 1 -1 V 1 -2 V 1 -2 V 1 -1 V 0 -2 V 1 -2 V 1 -2 V 1 -1 V 0 -2 V 1 -2 V 1 -2 V 0 -1 V 1 -2 V 0 -2 V 1 -2 V 0 -2 V 0 -2 V 1 -2 V 0 -1 V 0 -2 V 1 -2 V 0 -2 V 0 -2 V 0 -2 V 0 -2 V 0 -2 V 0 -2 V 0 -2 V 0 -2 V 0 -2 V 0 -2 V 0 -2 V 0 -2 V -1 -2 V 0 -2 V 0 -3 V -1 -2 V 0 -2 V 0 -2 V -1 -2 V 0 -2 V -1 -2 V 0 -3 V -1 -2 V -1 -2 V 0 -2 V -1 -2 V -1 -3 V -1 -2 V 0 -2 V -1 -2 V -1 -3 V -1 -2 V -1 -2 V -1 -3 V -1 -2 V -1 -2 V -1 -3 V -2 -2 V -1 -2 V -1 -3 V -1 -2 V -2 -3 V -1 -2 V -1 -2 V -2 -3 V -1 -2 V -2 -3 V -1 -2 V -2 -2 V -1 -3 V -2 -2 V -1 -3 V -2 -2 V -2 -3 V -2 -2 V -1 -3 V -2 -2 V -2 -3 V -2 -2 V -2 -3 V -2 -3 V -2 -2 V -2 -3 V -2 -2 V -2 -3 V -2 -2 V -3 -3 V -2 -3 V -2 -2 V -2 -3 V -3 -2 V -2 -3 V -2 -3 V -3 -2 V -2 -3 V -3 -3 V -2 -2 V -3 -3 V -2 -3 V -3 -2 V -3 -3 V -2 -3 V -3 -2 V -3 -3 V -3 -3 V -2 -2 V -3 -3 V -3 -3 V -3 -3 V -3 -2 V -3 -3 V -3 -3 V -3 -3 V -3 -2 V -3 -3 V -3 -3 V -3 -3 V -4 -2 V -3 -3 V -3 -3 V -3 -3 V -4 -2 V -3 -3 V -3 -3 V -4 -3 V -3 -3 V -4 -2 V -3 -3 V -4 -3 V -3 -3 V -4 -3 V -4 -2 V -3 -3 V -4 -3 V -4 -3 V -3 -3 V -4 -2 V -4 -3 V -4 -3 V -4 -3 V -4 -3 V -3 -2 V -4 -3 V -4 -3 V -4 -3 V -4 -3 V -4 -3 V -4 -2 V -5 -3 V -4 -3 V -4 -3 V -4 -3 V -4 -3 V -4 -2 V -5 -3 V -4 -3 V -4 -3 V -5 -3 V -4 -3 V -4 -2 V -5 -3 V -4 -3 V -5 -3 V -4 -3 V -5 -3 V -4 -2 V -5 -3 V -4 -3 V -5 -3 V -5 -3 V currentpoint stroke M -4 -2 V -5 -3 V -5 -3 V -4 -3 V -5 -3 V -5 -3 V -5 -2 V -5 -3 V -4 -3 V -5 -3 V -5 -3 V -5 -2 V -5 -3 V -5 -3 V -5 -3 V -5 -2 V -5 -3 V -5 -3 V -5 -3 V -5 -3 V -5 -2 V -5 -3 V -5 -3 V -5 -3 V -6 -2 V -5 -3 V -5 -3 V -5 -3 V -5 -2 V -6 -3 V -5 -3 V -5 -2 V -6 -3 V -5 -3 V -5 -2 V -6 -3 V -5 -3 V -5 -3 V -6 -2 V -5 -3 V -6 -3 V -5 -2 V -6 -3 V -5 -3 V -6 -2 V -5 -3 V -6 -2 V -5 -3 V -6 -3 V -5 -2 V -6 -3 V -5 -2 V -6 -3 V -6 -3 V -5 -2 V -6 -3 V -6 -2 V -5 -3 V -6 -2 V -6 -3 V -5 -2 V -6 -3 V -6 -2 V -6 -3 V -5 -2 V -6 -3 V -6 -2 V -6 -3 V -5 -2 V -6 -3 V -6 -2 V -6 -3 V -6 -2 V -6 -3 V -5 -2 V -6 -2 V -6 -3 V -6 -2 V -6 -2 V -6 -3 V -6 -2 V -6 -3 V -5 -2 V -6 -2 V -6 -2 V -6 -3 V -6 -2 V -6 -2 V -6 -3 V -6 -2 V -6 -2 V -6 -2 V -6 -3 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -3 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -3 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -1 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -2 V -6 -1 V -6 -2 V -6 -2 V -6 -2 V -6 -1 V -6 -2 V -6 -2 V -6 -2 V -5 -1 V -6 -2 V -6 -2 V -6 -1 V -6 -2 V -6 -2 V -6 -1 V -6 -2 V -6 -2 V -6 -1 V -6 -2 V -6 -1 V -5 -2 V -6 -1 V -6 -2 V -6 -1 V -6 -2 V -6 -1 V -5 -2 V -6 -1 V -6 -2 V -6 -1 V -6 -1 V -5 -2 V -6 -1 V -6 -1 V -6 -2 V -5 -1 V -6 -1 V -6 -2 V -6 -1 V -5 -1 V -6 -1 V -6 -2 V -5 -1 V -6 -1 V -5 -1 V -6 -1 V -6 -1 V -5 -2 V -6 -1 V -5 -1 V -6 -1 V -5 -1 V -6 -1 V -5 -1 V -6 -1 V -5 -1 V -6 -1 V -5 -1 V -6 -1 V -5 -1 V -6 -1 V -5 -1 V -5 -1 V -6 0 V -5 -1 V -5 -1 V -6 -1 V -5 -1 V -5 0 V -5 -1 V -6 -1 V -5 -1 V -5 0 V -5 -1 V -5 -1 V -5 0 V -5 -1 V -6 -1 V -5 0 V -5 -1 V -5 0 V -5 -1 V -5 -1 V -5 0 V -5 -1 V -4 0 V -5 -1 V -5 0 V -5 -1 V -5 0 V -5 0 V -5 -1 V -4 0 V -5 0 V -5 -1 V -4 0 V -5 0 V -5 -1 V -4 0 V -5 0 V -5 0 V -4 -1 V -5 0 V -4 0 V -5 0 V -4 0 V -5 0 V -4 -1 V -4 0 V -5 0 V -4 0 V -4 0 V -5 0 V -4 0 V -4 0 V -4 0 V -5 0 V -4 0 V -4 0 V -4 0 V -4 1 V -4 0 V -4 0 V -4 0 V -4 0 V -4 0 V -4 1 V -4 0 V -4 0 V -4 0 V -3 1 V -4 0 V -4 0 V -4 1 V -3 0 V -4 0 V -3 1 V -4 0 V -4 0 V -3 1 V -4 0 V -3 1 V -4 0 V -3 1 V -3 0 V -4 1 V -3 1 V -3 0 V -4 1 V -3 0 V -3 1 V -3 1 V -3 0 V -3 1 V -4 1 V -3 0 V -3 1 V -3 1 V -3 1 V -2 0 V -3 1 V -3 1 V -3 1 V -3 1 V -2 0 V -3 1 V -3 1 V -3 1 V -2 1 V -3 1 V -2 1 V -3 1 V -2 1 V -3 1 V -2 1 V -3 1 V -2 1 V -2 1 V -3 1 V -2 1 V -2 2 V -2 1 V -2 1 V -2 1 V -2 1 V -3 1 V -2 2 V -1 1 V -2 1 V -2 1 V -2 2 V -2 1 V -2 1 V -2 2 V -1 1 V -2 1 V -2 2 V -1 1 V -2 1 V -1 2 V -2 1 V -1 2 V -2 1 V -1 2 V -2 1 V -1 2 V -1 1 V -2 2 V -1 1 V -1 2 V -1 1 V -1 2 V -1 2 V -1 1 V -1 2 V -1 2 V -1 1 V -1 2 V -1 2 V -1 1 V -1 2 V 0 2 V -1 2 V -1 1 V 0 2 V -1 2 V -1 2 V 0 1 V -1 2 V 0 2 V -1 2 V 0 2 V 0 2 V -1 2 V 0 2 V 0 1 V 0 2 V 0 2 V -1 2 V 0 2 V 0 2 V 0 2 V 0 2 V 0 2 V 0 2 V 1 2 V 0 2 V 0 2 V 0 3 V 0 2 V 1 2 V 0 2 V 0 2 V 1 2 V 0 2 V 1 2 V 0 3 V 1 2 V 1 2 V 0 2 V 1 2 V 1 3 V 0 2 V 1 2 V 1 2 V 1 3 V 1 2 V 1 2 V 1 3 V 1 2 V 1 2 V 1 2 V 1 3 V 1 2 V currentpoint stroke M 1 3 V 1 2 V 2 2 V 1 3 V 1 2 V 2 2 V 1 3 V 2 2 V 1 3 V 2 2 V 1 3 V 2 2 V 1 3 V 2 2 V 2 3 V 1 2 V 2 3 V 2 2 V 2 3 V 2 2 V 2 3 V 2 2 V 1 3 V 2 2 V 3 3 V 2 2 V 2 3 V 2 3 V 2 2 V 2 3 V 2 2 V 3 3 V 2 3 V 2 2 V 3 3 V 2 2 V 3 3 V 2 3 V 3 2 V 2 3 V 3 3 V 2 2 V 3 3 V 3 3 V 3 3 V 2 2 V 3 3 V 3 3 V 3 2 V 3 3 V 2 3 V 3 2 V 3 3 V 3 3 V 3 3 V 4 2 V 3 3 V 3 3 V 3 3 V 3 2 V 3 3 V 4 3 V 3 3 V 3 3 V 4 2 V 3 3 V 3 3 V 4 3 V 3 2 V 4 3 V 3 3 V 4 3 V 4 3 V 3 2 V 4 3 V 3 3 V 4 3 V 4 3 V 4 3 V 3 2 V 4 3 V 4 3 V 4 3 V 4 3 V 4 2 V 4 3 V 4 3 V 4 3 V 4 3 V 4 3 V 4 2 V 4 3 V 4 3 V 5 3 V 4 3 V 4 3 V 4 2 V 5 3 V 4 3 V 4 3 V 5 3 V 4 3 V 4 2 V 5 3 V 4 3 V 5 3 V 4 3 V 5 3 V 4 2 V 5 3 V 5 3 V 4 3 V 5 3 V 5 2 V 4 3 V 5 3 V 5 3 V 4 3 V 5 2 V 5 3 V 5 3 V 5 3 V 5 3 V 5 2 V 4 3 V 5 3 V 5 3 V 5 3 V 5 2 V 5 3 V 5 3 V 5 3 V 6 2 V 5 3 V 5 3 V 5 3 V 5 2 V 5 3 V 5 3 V 6 3 V 5 2 V 5 3 V 5 3 V 6 3 V 5 2 V 5 3 V 6 3 V 5 2 V 5 3 V 6 3 V 5 2 V 6 3 V 5 3 V 6 2 V 5 3 V 6 3 V 5 2 V 6 3 V 5 3 V 6 2 V 5 3 V 6 2 V 5 3 V 6 3 V 6 2 V 5 3 V 6 2 V 5 3 V 6 2 V 6 3 V 5 3 V 6 2 V 6 3 V 6 2 V 5 3 V 6 2 V 6 3 V 6 2 V 5 3 V 6 2 V 6 3 V 6 2 V 6 2 V 5 3 V 6 2 V 6 3 V 6 2 V 6 2 V 6 3 V 5 2 V 6 3 V 6 2 V 6 2 V 6 3 V 6 2 V 6 2 V 6 3 V 6 2 V 6 2 V 6 3 V 6 2 V 5 2 V 6 2 V 6 3 V 6 2 V 6 2 V 6 2 V 6 2 V 6 3 V 6 2 V 6 2 V 6 2 V 6 2 V 6 2 V 6 2 V 6 3 V 6 2 V 6 2 V 6 2 V 6 2 V 6 2 V 6 2 V 6 2 V 6 2 V LT1 2197 1419 M 4 1 V 4 2 V 3 1 V 4 1 V 4 1 V 4 2 V 4 1 V 3 1 V 4 1 V 4 1 V 4 1 V 4 2 V 3 1 V 4 1 V 4 1 V 4 1 V 3 1 V 4 1 V 4 2 V 4 1 V 4 1 V 3 1 V 4 1 V 4 1 V 4 1 V 3 1 V 4 1 V 4 1 V 4 1 V 3 1 V 4 1 V 4 1 V 3 1 V 4 1 V 4 1 V 4 1 V 3 1 V 4 1 V 4 1 V 3 1 V 4 1 V 4 1 V 3 0 V 4 1 V 4 1 V 3 1 V 4 1 V 4 1 V 3 1 V 4 0 V 3 1 V 4 1 V 4 1 V 3 1 V 4 0 V 3 1 V 4 1 V 3 1 V 4 0 V 4 1 V 3 1 V 4 0 V 3 1 V 4 1 V 3 0 V 4 1 V 3 1 V 3 0 V 4 1 V 3 1 V 4 0 V 3 1 V 4 0 V 3 1 V 3 1 V 4 0 V 3 1 V 4 0 V 3 1 V 3 0 V 4 1 V 3 0 V 3 1 V 4 0 V 3 1 V 3 0 V 3 1 V 4 0 V 3 0 V 3 1 V 3 0 V 4 1 V 3 0 V 3 0 V 3 1 V 3 0 V 3 0 V 3 1 V 4 0 V 3 0 V 3 1 V 3 0 V 3 0 V 3 0 V 3 1 V 3 0 V 3 0 V 3 0 V 3 1 V 3 0 V 3 0 V 3 0 V 3 0 V 3 0 V 2 1 V 3 0 V 3 0 V 3 0 V 3 0 V 3 0 V 2 0 V 3 0 V 3 0 V 3 0 V 2 0 V 3 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 0 V 3 0 V 2 -1 V 3 0 V 2 0 V 3 0 V 2 0 V 2 0 V 3 -1 V 2 0 V 2 0 V 3 0 V 2 -1 V 2 0 V 3 0 V 2 0 V 2 -1 V 2 0 V 2 0 V 3 -1 V 2 0 V 2 0 V 2 -1 V 2 0 V 2 0 V 2 -1 V 2 0 V 2 -1 V 2 0 V 2 0 V 2 -1 V 2 0 V 2 -1 V 2 0 V 2 -1 V 1 0 V 2 -1 V 2 0 V 2 -1 V 2 0 V 1 -1 V 2 0 V 2 -1 V 1 -1 V 2 0 V 2 -1 V 1 0 V 2 -1 V 1 -1 V 2 0 V 2 -1 V 1 -1 V 2 0 V 1 -1 V 1 -1 V 2 0 V 1 -1 V 2 -1 V 1 0 V 1 -1 V 2 -1 V 1 -1 V 1 0 V 1 -1 V 2 -1 V 1 -1 V 1 -1 V 1 0 V 1 -1 V 1 -1 V 2 -1 V 1 -1 V 1 -1 V 1 -1 V 1 0 V 1 -1 V 1 -1 V 1 -1 V 0 -1 V 1 -1 V 1 -1 V 1 -1 V 1 -1 V 1 -1 V 0 -1 V 1 -1 V 1 -1 V 1 -1 V 0 -1 V 1 -1 V 1 -1 V 0 -1 V 1 -1 V 0 -1 V 1 -1 V 0 -1 V 1 -1 V 0 -1 V 1 -2 V 0 -1 V 1 -1 V 0 -1 V 0 -1 V 1 -1 V 0 -1 V 0 -2 V 1 -1 V 0 -1 V 0 -1 V 0 -1 V 1 -1 V 0 -2 V 0 -1 V 0 -1 V 0 -1 V 0 -2 V 0 -1 V 0 -1 V 0 -1 V 0 -2 V 0 -1 V 0 -1 V 0 -2 V 0 -1 V 0 -1 V -1 -2 V 0 -1 V 0 -1 V 0 -2 V -1 -1 V 0 -1 V 0 -2 V -1 -1 V 0 -1 V 0 -2 V -1 -1 V 0 -2 V -1 -1 V 0 -1 V -1 -2 V 0 -1 V -1 -2 V 0 -1 V -1 -2 V 0 -1 V -1 -1 V -1 -2 V 0 -1 V -1 -2 V -1 -1 V -1 -2 V 0 -1 V -1 -2 V -1 -1 V -1 -2 V -1 -1 V -1 -2 V 0 -1 V -1 -2 V -1 -2 V -1 -1 V -1 -2 V -1 -1 V -1 -2 V -1 -1 V -2 -2 V -1 -1 V -1 -2 V -1 -2 V -1 -1 V -1 -2 V -2 -1 V -1 -2 V -1 -2 V -1 -1 V -2 -2 V -1 -2 V -1 -1 V -2 -2 V -1 -1 V -2 -2 V -1 -2 V -1 -1 V -2 -2 V -1 -2 V -2 -1 V -2 -2 V -1 -2 V -2 -1 V -1 -2 V -2 -2 V -2 -2 V -1 -1 V -2 -2 V -2 -2 V -1 -1 V -2 -2 V -2 -2 V -2 -1 V -2 -2 V -1 -2 V -2 -2 V -2 -1 V -2 -2 V -2 -2 V -2 -2 V -2 -1 V -2 -2 V -2 -2 V -2 -1 V -2 -2 V -2 -2 V -2 -2 V -2 -2 V -2 -1 V -2 -2 V -3 -2 V -2 -2 V -2 -1 V -2 -2 V -2 -2 V -3 -2 V -2 -1 V -2 -2 V -3 -2 V -2 -2 V -2 -1 V -3 -2 V -2 -2 V -2 -2 V -3 -2 V -2 -1 V -3 -2 V -2 -2 V -3 -2 V -2 -2 V -3 -1 V -2 -2 V -3 -2 V -2 -2 V -3 -1 V -3 -2 V -2 -2 V -3 -2 V -2 -2 V -3 -1 V -3 -2 V -3 -2 V -2 -2 V -3 -2 V -3 -1 V -3 -2 V -2 -2 V -3 -2 V -3 -2 V -3 -1 V -3 -2 V -3 -2 V -2 -2 V -3 -1 V -3 -2 V -3 -2 V currentpoint stroke M -3 -2 V -3 -2 V -3 -1 V -3 -2 V -3 -2 V -3 -2 V -3 -1 V -3 -2 V -3 -2 V -3 -2 V -3 -2 V -3 -1 V -4 -2 V -3 -2 V -3 -2 V -3 -1 V -3 -2 V -3 -2 V -3 -2 V -4 -1 V -3 -2 V -3 -2 V -3 -2 V -4 -1 V -3 -2 V -3 -2 V -3 -1 V -4 -2 V -3 -2 V -3 -2 V -4 -1 V -3 -2 V -3 -2 V -4 -2 V -3 -1 V -4 -2 V -3 -2 V -3 -1 V -4 -2 V -3 -2 V -4 -1 V -3 -2 V -4 -2 V -3 -1 V -3 -2 V -4 -2 V -3 -1 V -4 -2 V -3 -2 V -4 -1 V -3 -2 V -4 -2 V -4 -1 V -3 -2 V -4 -2 V -3 -1 V -4 -2 V -3 -1 V -4 -2 V -4 -2 V -3 -1 V -4 -2 V -3 -1 V -4 -2 V -4 -2 V -3 -1 V -4 -2 V -4 -1 V -3 -2 V -4 -1 V -4 -2 V -3 -1 V -4 -2 V -4 -1 V -3 -2 V -4 -1 V -4 -2 V -4 -2 V -3 -1 V -4 -1 V -4 -2 V -3 -1 V -4 -2 V -4 -1 V -4 -2 V -3 -1 V -4 -2 V -4 -1 V -4 -2 V -3 -1 V -4 -1 V -4 -2 V -4 -1 V -4 -2 V -3 -1 V -4 -1 V -4 -2 V -4 -1 V -3 -2 V -4 -1 V -4 -1 V -4 -2 V -4 -1 V -3 -1 V -4 -2 V -4 -1 V -4 -1 V -4 -2 V -3 -1 V -4 -1 V -4 -1 V -4 -2 V -4 -1 V -3 -1 V -4 -1 V -4 -2 V -4 -1 V -4 -1 V -3 -1 V -4 -2 V -4 -1 V -4 -1 V -3 -1 V -4 -1 V -4 -1 V -4 -2 V -4 -1 V -3 -1 V -4 -1 V -4 -1 V -4 -1 V -4 -1 V -3 -1 V -4 -2 V -4 -1 V -4 -1 V -3 -1 V -4 -1 V -4 -1 V -4 -1 V -3 -1 V -4 -1 V -4 -1 V -3 -1 V -4 -1 V -4 -1 V -4 -1 V -3 -1 V -4 -1 V -4 -1 V -3 -1 V -4 -1 V -4 -1 V -3 0 V -4 -1 V -4 -1 V -3 -1 V -4 -1 V -4 -1 V -3 -1 V -4 -1 V -4 0 V -3 -1 V -4 -1 V -3 -1 V -4 -1 V -4 0 V -3 -1 V -4 -1 V -3 -1 V -4 0 V -3 -1 V -4 -1 V -4 -1 V -3 0 V -4 -1 V -3 -1 V -4 0 V -3 -1 V -4 -1 V -3 0 V -3 -1 V -4 0 V -3 -1 V -4 -1 V -3 0 V -4 -1 V -3 0 V -3 -1 V -4 -1 V -3 0 V -3 -1 V -4 0 V -3 -1 V -3 0 V -4 -1 V -3 0 V -3 -1 V -4 0 V -3 0 V -3 -1 V -3 0 V -4 -1 V -3 0 V -3 0 V -3 -1 V -3 0 V -4 -1 V -3 0 V -3 0 V -3 -1 V -3 0 V -3 0 V -3 0 V -3 -1 V -3 0 V -3 0 V -3 0 V -3 -1 V -3 0 V -3 0 V -3 0 V -3 -1 V -3 0 V -3 0 V -3 0 V -3 0 V -3 0 V -3 0 V -3 -1 V -3 0 V -2 0 V -3 0 V -3 0 V -3 0 V -2 0 V -3 0 V -3 0 V -3 0 V -2 0 V -3 0 V -3 0 V -2 0 V -3 0 V -3 0 V -2 0 V -3 0 V -2 0 V -3 0 V -2 0 V -3 1 V -2 0 V -3 0 V -2 0 V -3 0 V -2 0 V -3 0 V -2 1 V -2 0 V -3 0 V -2 0 V -2 1 V -3 0 V -2 0 V -2 0 V -2 1 V -3 0 V -2 0 V -2 0 V -2 1 V -2 0 V -2 0 V -2 1 V -2 0 V -3 1 V -2 0 V -2 0 V -2 1 V -2 0 V -2 1 V -1 0 V -2 0 V -2 1 V -2 0 V -2 1 V -2 0 V -2 1 V -2 0 V -1 1 V -2 0 V -2 1 V -2 1 V -1 0 V -2 1 V -2 0 V -1 1 V -2 1 V -1 0 V -2 1 V -2 0 V -1 1 V -2 1 V -1 0 V -1 1 V -2 1 V -1 0 V -2 1 V -1 1 V -1 1 V -2 0 V -1 1 V -1 1 V -2 1 V -1 0 V -1 1 V -1 1 V -2 1 V -1 1 V -1 0 V -1 1 V -1 1 V -1 1 V -1 1 V -1 1 V -1 1 V -1 1 V -1 0 V -1 1 V -1 1 V -1 1 V -1 1 V -1 1 V 0 1 V -1 1 V -1 1 V -1 1 V 0 1 V -1 1 V -1 1 V 0 1 V -1 1 V -1 1 V 0 1 V -1 1 V 0 1 V -1 1 V 0 2 V -1 1 V 0 1 V -1 1 V 0 1 V -1 1 V 0 1 V 0 1 V -1 2 V 0 1 V 0 1 V 0 1 V -1 1 V 0 1 V 0 2 V 0 1 V 0 1 V 0 1 V 0 2 V -1 1 V 0 1 V 0 1 V 0 2 V 0 1 V 1 1 V 0 1 V 0 2 V 0 1 V 0 1 V 0 2 V 0 1 V 1 1 V 0 2 V 0 1 V 0 1 V 1 2 V 0 1 V 0 2 V 1 1 V 0 1 V 1 2 V 0 1 V 1 2 V 0 1 V 1 1 V 0 2 V 1 1 V 0 2 V 1 1 V 1 2 V 0 1 V 1 2 V 1 1 V 0 2 V currentpoint stroke M 1 1 V 1 1 V 1 2 V 0 2 V 1 1 V 1 2 V 1 1 V 1 2 V 1 1 V 1 2 V 1 1 V 1 2 V 1 1 V 1 2 V 1 1 V 1 2 V 1 2 V 1 1 V 1 2 V 2 1 V 1 2 V 1 2 V 1 1 V 2 2 V 1 1 V 1 2 V 2 2 V 1 1 V 1 2 V 2 2 V 1 1 V 2 2 V 1 2 V 1 1 V 2 2 V 1 2 V 2 1 V 2 2 V 1 2 V 2 1 V 1 2 V 2 2 V 2 1 V 1 2 V 2 2 V 2 1 V 2 2 V 1 2 V 2 2 V 2 1 V 2 2 V 2 2 V 2 2 V 2 1 V 2 2 V 1 2 V 2 1 V 2 2 V 2 2 V 2 2 V 2 1 V 3 2 V 2 2 V 2 2 V 2 1 V 2 2 V 2 2 V 2 2 V 2 1 V 3 2 V 2 2 V 2 2 V 2 2 V 3 1 V 2 2 V 2 2 V 3 2 V 2 1 V 2 2 V 3 2 V 2 2 V 3 2 V 2 1 V 3 2 V 2 2 V 3 2 V 2 1 V 3 2 V 2 2 V 3 2 V 2 2 V 3 1 V 3 2 V 2 2 V 3 2 V 3 2 V 2 1 V 3 2 V 3 2 V 3 2 V 2 2 V 3 1 V 3 2 V 3 2 V 2 2 V 3 1 V 3 2 V 3 2 V 3 2 V 3 2 V 3 1 V 3 2 V 3 2 V 3 2 V 3 2 V 3 1 V 3 2 V 3 2 V 3 2 V 3 1 V 3 2 V 3 2 V 3 2 V 3 1 V 3 2 V 3 2 V 3 2 V 3 1 V 4 2 V 3 2 V 3 2 V 3 2 V 3 1 V 4 2 V 3 2 V 3 1 V 3 2 V 4 2 V 3 2 V 3 1 V 4 2 V 3 2 V 3 2 V 4 1 V 3 2 V 3 2 V 4 1 V 3 2 V 3 2 V 4 1 V 3 2 V 4 2 V 3 2 V 4 1 V 3 2 V 3 2 V 4 1 V 3 2 V 4 2 V 3 1 V 4 2 V 3 2 V 4 1 V 4 2 V 3 1 V 4 2 V 3 2 V 4 1 V 3 2 V 4 2 V 4 1 V 3 2 V 4 1 V 3 2 V 4 2 V 4 1 V 3 2 V 4 1 V 4 2 V 3 1 V 4 2 V 4 1 V 3 2 V 4 2 V 4 1 V 3 2 V 4 1 V 4 2 V 3 1 V 4 2 V 4 1 V 4 2 V 3 1 V 4 2 V 4 1 V 3 2 V 4 1 V 4 1 V 4 2 V 3 1 V 4 2 V 4 1 V 4 2 V 3 1 V 4 1 V 4 2 V 4 1 V 4 2 V 3 1 V 4 1 V 4 2 V 4 1 V 4 1 V 3 2 V 4 1 V 4 1 V 4 2 V 3 1 V 4 1 V 4 2 V 4 1 V 4 1 V 3 2 V 4 1 V LT0 2886 1673 M 2193 1212 L 979 326 V LT1 2193 1212 M 1214 445 M 0 506 V 0 -474 V 1958 0 V 0 -32 V 0 1158 V 0 -1126 V 970 477 L 0 273 V -49 0 V 727 0 V -678 0 V 0 923 V 2062 0 V -2111 0 V 49 0 V 0 -461 V -49 0 V 97 0 V -48 0 V 0 -735 V 1223 0 V 0 -32 V 0 65 V 0 -33 V 970 477 L LT0 970 477 M -490 0 V 2937 0 V 970 477 L 0 -326 V 0 1958 V 970 477 L 2193 1212 A stroke grestore end showpage @endspecial 1506 1200 a Fd(B)1366 1117 y(A)1047 1523 y Fc(\037)1078 1505 y Fb(2)1111 1523 y Fd(=)14 b Fc(\037)1194 1505 y Fb(2)1194 1535 y(0)1225 1523 y Fd(+)d(1)1231 1251 y Fc(\022)1254 1258 y Fb(c)1006 1360 y Fc(\037)1037 1342 y Fb(2)1037 1372 y(0)384 1139 y Fc(y)408 1146 y Fb(0)439 1139 y Fd(+)g(\001)p Fc(y)384 1524 y(y)408 1531 y Fb(0)439 1524 y Fa(\000)g Fd(\001)p Fc(y)1384 1679 y(x)1412 1686 y Fb(0)1442 1679 y Fd(+)g(\001)p Fc(x)-941 b(x)647 1686 y Fb(0)677 1679 y Fa(\000)11 b Fd(\001)p Fc(x)486 1325 y(y)510 1332 y Fb(0)1078 1673 y Fc(x)1106 1680 y Fb(0)1575 1819 y Fd(5)-227 b(4)f(3)g(2)g(1)g(0)-236 b(-1)315 961 y(5)315 1097 y(4)315 1233 y(3)315 1369 y(2)315 1505 y(1)315 1641 y(0)298 1777 y(-1)p eop end userdict /end-hook known{end-hook}if %%EndDocument @endspecial 225 1425 a Fs(Figure)d(5.1)62 b(A)17 b(con)o(tour)g(map)g (of)f Fp(\037)894 1409 y Fk(2)932 1425 y Fs(as)h(a)g(function)h(of)f(t) o(w)o(o)e(v)m(ariables,)k Fp(x)e Fs(and)g Fp(y)r Fs(.)225 1480 y(The)12 b(uncertain)o(ties)h(in)f(the)g(v)m(ariables)h(\(\001)p Fp(x)f Fs(and)g(\001)p Fp(y)r Fs(,)f(resp)q(ectiv)o(ely\))j(are)d(c)o (hosen)h(so)f(as)225 1535 y(to)j(require)i(that)f Fp(\037)560 1518 y Fk(2)596 1535 y Fs(is)g(increased)i(b)o(y)e(1)g(from)f(its)h(b)q (est)h(v)m(alue,)g Fp(\037)1366 1518 y Fk(2)1366 1546 y(0)1386 1535 y Fs(.)k(The)c(correlation)225 1589 y(b)q(et)o(w)o(een)g (the)f(v)m(ariables)h(is)g(giv)o(en)g(b)o(y)f(cos\()p Fp(\022)995 1596 y Fk(c)1013 1589 y Fs(\).)91 1742 y Fr(feffit)h Fs(will)h(estimate)d(the)h(uncertain)o(ties)i(in)e(the)h(v) m(ariables)g(immediately)h(after)d(the)h(b)q(est-\014t)g(v)m(alues)h (of)0 1796 y(the)g(v)m(ariables)h(are)f(found.)22 b(Occasionally)c(the) e(error)f(estimation)i(will)g(fail,)g(whic)o(h)f(means)g(that)f(at)h (least)g(one)0 1851 y(of)c(the)h(v)m(ariables)h(do)q(es)g(not)e (signi\014can)o(tly)i(c)o(hange)f(the)g(mo)q(del)h(XAFS.)e(Suc)o(h)i (\\n)o(ull)g(v)m(ariables")g(m)o(ust)e(b)q(e)h(tak)o(en)0 1905 y(out)j(of)g(the)g(\014t)g(for)f(the)i(uncertain)o(ties)g(in)g (the)f(rest)g(of)g(the)g(v)m(ariables)h(to)f(b)q(e)h(calculated.)24 b Fr(feffit)17 b Fs(will)h(try)e(to)0 1960 y(tell)g(y)o(ou)f(whic)o(h)h (v)m(ariables)h(are)e(causing)g(the)h(problem)g(if)f(this)h(happ)q (ens.)91 2038 y(The)g(uncertain)o(ties)h(in)g(the)f(v)m(ariables)i(are) d(estimated)h(using)h(a)f(standard)f(tec)o(hnique)j(of)d(error)h (analysis.)0 2092 y(This)j(is)g(w)o(ell-explained)i(in)f(the)e (standard)g(references,)i(but)e(I'll)i(summarize)e(it)h(here.)30 b(The)19 b(goal)f(of)g(the)g(\014t)0 2147 y(is)f(to)e(minimize)k Fp(\037)327 2131 y Fk(2)364 2147 y Fs(in)e(eac)o(h)f(of)g(its)g Fp(N)675 2154 y Fk(v)n(arys)776 2147 y Fs(dimensions)i(\(where)e Fp(N)1197 2154 y Fk(v)n(arys)1298 2147 y Fs(is)h(the)f(n)o(um)o(b)q(er) h(of)e(v)m(ariables)j(in)f(the)0 2202 y(\014t\).)23 b(Algorithms)17 b(suc)o(h)g(as)f(the)h(Lev)o(en)o(b)q(erg-Marquardt)f(metho)q(d)h(are)f (able)h(to)f(\014nd)h(a)g(minim)o(um)g(for)f(m)o(ulti-)0 2256 y(dimensional)k Fp(\037)281 2240 y Fk(2)320 2256 y Fs(without)e(to)q(o)f(m)o(uc)o(h)h(di\016cult)o(y)l(.)30 b(In)19 b(order)e(to)h(do)g(this,)g(the)g(\014rst)g(and)g(second)h (deriv)m(ativ)o(es)0 2311 y(of)c Fp(\037)80 2294 y Fk(2)116 2311 y Fs(are)f(found)i(with)f(resp)q(ect)h(to)f(eac)o(h)g(of)f(the)i (v)m(ariables)g(\(second)g(deriv)m(ativ)o(es)g(are)f(found)g(for)g(eac) o(h)g(pair)g(of)0 2365 y(v)m(ariables\).)21 b(These)16 b(deriv)m(ativ)o(es)g(are)f(used)h(for)f(\014nding)h(the)g(next)f (estimate)g(of)g(the)h(b)q(est)f(v)m(ariables,)i(and)e(turn)0 2420 y(out)g(to)f(b)q(e)i(useful)h(for)d(estimating)i(the)f(uncertain)o (ties)h(in)g(the)f(v)m(ariables)i(after)d(the)i(b)q(est)f(\014t)g(has)g (b)q(een)i(found.)91 2498 y(A)o(t)h(the)h(b)q(est-\014t)g(solution,)i Fp(\037)619 2481 y Fk(2)658 2498 y Fs(will)g(b)q(e)e(roughly)g(parab)q (olic)i(in)e(eac)o(h)g(of)g(its)g Fp(N)1507 2505 y Fk(v)n(arys)1610 2498 y Fs(dimensions.)33 b(The)0 2552 y(\()p Fp(N)55 2559 y Fk(v)n(arys)149 2552 y Fi(\002)11 b Fp(N)232 2559 y Fk(v)n(arys)317 2552 y Fs(\))j(matrix)h(of)g(second)h(deriv)m(ativ)o (es)g(of)f Fp(\037)1002 2536 y Fk(2)1038 2552 y Fs(around)g(the)g (solution)h(giv)o(es)f(the)h(curv)m(ature)f(of)g(the)0 2607 y Fp(\037)28 2590 y Fk(2)62 2607 y Fs(surface.)k(Figure)14 b(5.1)e(sho)o(ws)h(a)g(crude)h(rendition)g(of)f(a)g(con)o(tour)g(plot)g (of)g(the)h Fp(\037)1420 2590 y Fk(2)1454 2607 y Fs(surface)f(for)g(a)g (t)o(w)o(o-v)m(ariable)0 2661 y(problem.)28 b(A)o(t)17 b(the)g(solution,)i(the)f(v)m(ariables)g Fp(x)g Fs(and)g Fp(y)h Fs(ha)o(v)o(e)e(v)m(alues)i Fp(x)1256 2668 y Fk(0)1294 2661 y Fs(and)f Fp(y)1407 2668 y Fk(0)1427 2661 y Fs(,)g(and)g Fp(\037)1577 2645 y Fk(2)1614 2661 y Fs(=)f Fp(\037)1694 2645 y Fk(2)1694 2673 y(0)1715 2661 y Fs(.)27 b(As)18 b Fp(x)f Fs(or)g Fp(y)0 2716 y Fs(mo)o(v)o(e)d(a)o(w)o(a)o(y)f(from)h (their)i(b)q(est-\014t)f(solution,)g Fp(\037)813 2699 y Fk(2)848 2716 y Fs(increases.)21 b(F)l(or)14 b(\\normally)h (distributed")h(uncertain)o(ties,)g(the)0 2770 y(con)o(tours)i(of)g (constan)o(t)g Fp(\037)457 2754 y Fk(2)496 2770 y Fs(will)i(b)q(e)f (ellipses)i(for)d(t)o(w)o(o)f(dimensions)j(\(and)f(higher)g(order)f (ellipsoids)j(for)d(more)0 2825 y(than)c(t)o(w)o(o)g(dimensions\).)21 b(The)14 b(uncertain)o(t)o(y)h(in)g(the)g(v)m(alue)h(of)e(a)g(v)m (ariable)i(is)f(the)f(amoun)o(t)g(b)o(y)g(whic)o(h)i(it)f(can)f(b)q(e)p eop %%Page: 20 21 20 20 bop 0 100 a Fr(feffit)413 b Fg(Go)q(o)q(dness)16 b(of)e(Fit)i(and)f(Uncertain)o(ties)h(in)g(V)l(ariables)414 b Fn(20)p 0 118 1950 2 v 0 245 a Fs(increased)16 b(and)e(still)i(ha)o (v)o(e)e Fp(\037)504 229 y Fk(2)539 245 y Fs(b)q(elo)o(w)h(some)f (limit.)21 b(F)l(or)14 b(randomly)h(distributed)h(errors,)d Fp(\037)1591 229 y Fk(2)1591 257 y(0)1620 245 y Fs(+)c(1)14 b(is)h(a)f(common)0 300 y(criterion,)k(and)f(is)g(the)g(one)g(used)h (in)f Fr(feffit)p Fs(.)26 b(F)l(rom)16 b(Fig.)h(5.1,)e(the)i(uncertain) o(ties)h(in)g Fp(x)f Fs(and)g Fp(y)i Fs(are)d(\001)p Fp(x)h Fs(and)0 355 y(\001)p Fp(y)r Fs(,)e(and)g(are)g(those)g(v)m (alues)h(whic)o(h)g(ensure)g(that)e Fp(\037)906 338 y Fk(2)942 355 y Fs(is)i(increased)h(b)o(y)e(1)g(from)f(its)h(b)q(est)h (v)m(alue.)91 418 y(Note)i(that)g(when)h(ev)m(aluating)h(the)f (uncertain)o(t)o(y)g(in)g(a)f(v)m(ariable,)j(all)e(the)g(other)f(v)m (ariables)i(are)f(allo)o(w)o(ed)0 473 y(to)e(v)m(ary)l(,)h(so)g(that)f (the)h(correlations)g(b)q(et)o(w)o(een)g(v)m(ariables)h(can)f(b)q(e)g (tak)o(en)f(in)o(to)h(accoun)o(t.)27 b(The)18 b(correlation)g(is)0 527 y(a)e(measure)h(of)f(ho)o(w)h(m)o(uc)o(h)f(the)h(b)q(est-\014t)g(v) m(alue)h(of)f(one)g(of)f(the)h(v)m(ariables)h(c)o(hanges)f(in)g(resp)q (onse)g(to)f(c)o(hanging)0 582 y(another)e(v)m(ariable)h(a)o(w)o(a)o(y) d(from)h(its)i(b)q(est-\014t)f(v)m(alue.)21 b(In)14 b(Fig.)g(5.1,)f (the)h(correlation)g(of)f(the)h(v)m(ariables)i Fp(x)d Fs(and)i Fp(y)g Fs(is)0 636 y(something)d(lik)o(e)g(cos\()p Fp(\022)393 643 y Fk(c)412 636 y Fs(\),)f(the)h(\\pro)s(jection")e(of)h (\001)p Fp(x)h Fs(on)f(\001)p Fp(y)r Fs(.)19 b(If)11 b(the)h(v)m(ariables)h(w)o(ere)e(completely)i(uncorrelated,)0 691 y(the)h(ellipse)j(in)e(Fig.)f(5.1)g(w)o(ould)h(ha)o(v)o(e)f(its)g (ma)s(jor)f(and)i(minor)f(axes)g(parallel)i(to)e(the)g Fp(x)h Fs(and)f Fp(y)i Fs(axes.)k(The)14 b(p)q(oin)o(t)0 745 y(of)f(this)h(discussion)i(is)e(that)f(if)h(the)g(correlations)g(w) o(ere)f(ignored,)h(and)g Fp(y)i Fs(w)o(ere)d(held)i(constan)o(t,)e(the) h(uncertain)o(t)o(y)0 800 y(in)i Fp(x)f Fs(w)o(ould)g(b)q(e)h (estimated)f(to)f(b)q(e)i(\001)p Fp(x)676 784 y Fd(0)689 800 y Fs(.)k(This)15 b(is)h(considerably)g(smaller)g(than)f(\001)p Fp(x)p Fs(,)f(and)i(is)f(a)g(w)o(orse)f(estimate)0 855 y(of)h(the)g(uncertain)o(t)o(y)g(in)h Fp(x)f Fs(b)q(ecause)i(a)e(\014t) g(with)g Fp(x)g Fs(set)g(to)g Fp(x)1027 862 y Fk(0)1057 855 y Fs(+)c(\001)p Fp(x)k Fs(will)i(giv)o(e)e(a)g Fp(\037)1427 838 y Fk(2)1460 855 y Fs(=)e Fp(\037)1536 838 y Fk(2)1536 866 y(0)1567 855 y Fs(+)e(1.)91 918 y(Algebraically)l(,)j(the)e (uncertain)o(ties)i(in)e(the)g(v)m(ariables)h(are)f(giv)o(en)g(b)o(y)g (the)g(in)o(v)o(erse)h(of)e(the)h(curv)m(ature)g(matrix)0 973 y(\(the)21 b(matrix)g(of)g(the)g(second)h(deriv)m(ativ)o(es\),)i (called)f(the)e(correlation)h(matrix.)38 b(The)21 b(uncertain)o(ties)i (in)f(the)0 1027 y(v)m(ariables)15 b(are)e(the)g(square)h(ro)q(ots)e (of)h(the)h(diagonal)g(terms,)e(and)i(the)g(correlations)f(b)q(et)o(w)o (een)h(pairs)g(of)f(v)m(ariables)0 1082 y(are)k(giv)o(en)i(b)o(y)e(the) h(o\013-diagonal)g(terms)f(of)g(this)h(matrix.)28 b(This)18 b(is)g(v)o(ery)g(easy)f(and)h(useful)h(to)e(do,)h(and)g(giv)o(es)0 1136 y(a)h(go)q(o)q(d)h(estimate)f(of)g(the)h(uncertain)o(ties,)h(as)e (long)h(as)f(the)h(curv)m(ature)g(matrix)f(can)g(b)q(e)i(in)o(v)o (erted.)33 b(\(Matrix)0 1191 y(in)o(v)o(ersion)13 b(will)h(fail)f(if)g (a)f(v)m(ariable)i(do)q(es)e(not)g(a\013ect)g(the)g(\014t)g(b)q(ecause) i(the)e(second)h(deriv)m(ativ)o(e)h(of)d Fp(\037)1681 1174 y Fk(2)1714 1191 y Fs(will)j(b)q(e)f(zero,)0 1245 y(and)j(the)g(curv)m(ature)g(matrix)f(will)j(b)q(e)e(singular.\))23 b(Although)16 b(it)g(ma)o(y)f(not)h(b)q(e)g(ob)o(vious,)g(the)g(matrix) f(in)o(v)o(ersion)0 1300 y(tec)o(hnique)i(giv)o(es)e(v)m(alues)i(for)e (the)g(uncertain)o(ties)i(that)d(will)j(increase)g Fp(\037)1255 1284 y Fk(2)1291 1300 y Fs(b)o(y)e(1,)g(as)g(sho)o(wn)g(in)h(Figure)g (5.1)e(\(the)0 1355 y(k)o(ey)h(is)h(that)e(matrix)h(in)o(v)o(ersion)h (is)g(division)h(b)o(y)e(1\).)91 1418 y(Since)24 b Fp(\037)245 1402 y Fk(2)288 1418 y Fs(increases)f(b)o(y)f(1)g(to)g(giv)o(e)h(the)f (uncertain)o(ties)h(in)h(the)e(v)m(ariables,)j(the)d(scale)h(of)f Fp(\037)1769 1402 y Fk(2)1812 1418 y Fs(is)h(v)o(ery)0 1473 y(imp)q(ortan)o(t.)j(The)18 b(scale)g(of)f Fp(\017)h Fs(is)g(therefore)f(critical)i(in)f(getting)f(go)q(o)q(d)g(estimates)h (of)f(the)g(uncertain)o(ties,)i(and)0 1527 y(w)o(e're)c(bac)o(k)g (where)h(w)o(e)f(w)o(ere)g(at)g(the)g(b)q(eginning)j(of)d(the)h(c)o (hapter.)k(Unless)c Fp(\017)g Fs(is)g(correctly)g(estimated,)f Fp(\037)1843 1511 y Fk(2)1879 1527 y Fs(will)0 1582 y(b)q(e)j(wrong,)g (and)f(then)h(the)g(estimates)g(for)f(the)g(uncertain)o(ties)i(will)g (b)q(e)g(wrong.)26 b(But)18 b(there)g(is)g(a)o(w)o(a)o(y)e(around)0 1636 y(this)g(problem)h(if)f(w)o(e)f(are)h(con)o(vinced)h(that)e(a)g (\014t)h(is)g(go)q(o)q(d)g(\(based)g(on)f(a)h(small)g Fi(R)p Fs(\))f(ev)o(en)h(if)g Fp(\037)1629 1620 y Fk(2)1629 1648 y Fh(\027)1668 1636 y Fs(is)g(m)o(uc)o(h)g(larger)0 1691 y(than)f(1.0,)e(so)i(that)f(w)o(e)h(assert)f(that)g Fp(\017)i Fs(that)e(is)h(to)q(o)g(small)g(\(b)q(ecause)h(w)o(e)f(did)h (not)e(include)k(systematic)c(errors\).)0 1745 y(The)j(tric)o(k)g(is)g (that)f(the)h(v)m(alue)h(of)e Fp(\017)h Fs(can)g(b)q(e)h(rescaled)f(b)o (y)g(a)f(factor)g(of)g(\()1266 1707 y Fj(p)p 1311 1707 52 2 v 38 x Fp(\037)1339 1732 y Fk(2)1339 1757 y Fh(\027)1362 1745 y Fs(\))h(so)f(that)g Fp(\037)1582 1729 y Fk(2)1582 1757 y Fh(\027)1622 1745 y Fs(will)i(b)q(e)g(forced)f(to)0 1800 y(b)q(e)f(1.)j(But)c(w)o(e)g(don't)f(need)i(to)e(redo)h(the)g (\014t)g(or)g(matrix)f(in)o(v)o(ersion,)i(w)o(e)e(can)i(just)e(m)o (ultiply)j(the)e(uncertain)o(ties)0 1855 y(themselv)o(es)h(b)o(y)291 1816 y Fj(p)p 336 1816 V 39 x Fp(\037)364 1841 y Fk(2)364 1866 y Fh(\027)387 1855 y Fs(.)k(The)15 b(n)o(um)o(b)q(ers)h(rep)q (orted)f(b)o(y)g Fr(feffit)h Fs(for)f(all)h(the)f(uncertain)o(ties)h (in)g Fo(feffit.log)j Fs(are)0 1915 y(rescaled)14 b(in)f(this)g(w)o(a)o (y)f(b)o(y)457 1877 y Fj(p)p 502 1877 V 38 x Fp(\037)530 1902 y Fk(2)530 1927 y Fh(\027)553 1915 y Fs(.)19 b(It)13 b(is)g(imp)q(ortan)o(t)f(to)g(remem)o(b)q(er)h(that)f(this)h(tric)o(k)g (giv)o(es)g(reasonable)g(estimates)0 1970 y(for)h(the)i(uncertain)o (ties)g(at)e(the)h(exp)q(ense)i(of)d(using)i Fp(\037)918 1954 y Fk(2)918 1981 y Fh(\027)956 1970 y Fs(for)f(measuring)g(the)g (go)q(o)q(dness)h(of)e(\014t.)20 b(It)15 b Fe(assumes)g Fs(that)0 2025 y(the)f(\014t)g(is)g(go)q(o)q(d)g(\(b)o(y)g(forcing)g Fp(\037)545 2008 y Fk(2)545 2036 y Fh(\027)582 2025 y Fs(to)f(1\),)g(and)h(that)f(signi\014can)o(t)i(systematic)f(con)o (tributions)h(to)e Fp(\017)h Fs(w)o(ere)g(ignored.)91 2088 y(Uncertain)o(ties)e(are)f(calculated)i(only)f(for)f(the)g(v)m (ariables)i(in)f(the)f(\014t,)h(not)f(for)g(the)g(User-De\014ned)i(F)l (unctions.)0 2143 y(Because)19 b(the)f(User-De\014ned)h(F)l(unctions)g (can)f(dep)q(end)h(on)f(the)g(v)m(ariables)i(in)f(fairly)f(complicated) i(w)o(a)o(ys,)d(the)0 2197 y(uncertain)o(ties)12 b(in)g(them)e(are)h (to)q(o)f(hard)h(to)f(w)o(ork)g(out)g(in)i(general.)19 b(Y)l(ou'll)11 b(need)h(to)e(use)h(the)g(standard)g(tec)o(hniques)0 2252 y(of)j(partial)g(deriv)m(ativ)o(es)i(\(see,)e(Bevington's)g(b)q(o) q(ok,)g(for)g(example\))g(to)g(w)o(ork)f(out)h(the)g(propagation)g(of)g (errors)f(in)0 2306 y(the)i(errors)g(to)f(errors)h(in)h(functions)g(of) e(the)i(errors.)91 2370 y(All)h(of)f(the)h(error)e(analysis)i (parameters)f(discussed)i(in)f(this)f(c)o(hapter)h(will)h(b)q(e)f (written)f(to)f Fo(feffit.log)t Fs(.)0 2425 y(The)e(v)m(alues)h(for)f Fp(N)329 2432 y Fk(idp)381 2425 y Fs(,)g Fp(N)444 2432 y Fk(v)n(arys)529 2425 y Fs(,)g Fp(\027)s Fs(,)g Fp(\017)p Fs(,)h Fp(\037)679 2408 y Fk(2)699 2425 y Fs(,)f(and)h Fp(\037)840 2408 y Fk(2)840 2436 y Fh(\027)876 2425 y Fs(and)f Fi(R)f Fs(will)j(all)f(b)q(e)g(written)f(to)f(this)h(\014le.) 21 b(The)13 b(uncertain)o(ties)0 2484 y(\(already)18 b(rescaled)g(b)o(y)421 2446 y Fj(p)p 466 2446 V 38 x Fp(\037)494 2471 y Fk(2)494 2496 y Fh(\027)517 2484 y Fs(\))g(are)f(listed)i(with)f(the)f(b)q(est-\014t)h(v)m(alues.)29 b(Correlations)17 b(b)q(et)o(w)o(een)h(v)m(ariables)h(are)0 2539 y(sorted)f(so)h(that)f(the)h(most)f(highly)i(correlated)f(are)f (listed)j(\014rst.)30 b(One)19 b(w)o(arning)g(ab)q(out)g(correlation)g (of)f(t)o(w)o(o)0 2594 y(v)m(ariables)h(should)f(b)q(e)h(men)o(tioned.) 27 b(If)18 b(t)o(w)o(o)e(v)m(ariables)j(are)e(completely)i(correlated)f (\()p Fe(i.e.)p Fs(,)f(the)h(correlation)f(is)0 2648 y(greater)c(than)i(0.999)d(or)i(less)h(than)f(-0.999\),)f(then)h(these) h(t)o(w)o(o)e(v)m(ariables)i(are)f(not)g(really)h(di\013eren)o(t,)g (and)f(one)g(of)0 2703 y(them)h(can)g(b)q(e)h(eliminated.)p eop %%Page: 21 22 21 21 bop 0 100 a Fq(Chapter)22 b(6)1612 b Fn(21)p 0 118 1950 2 v 0 245 a Fm(The)24 b(XAFS)g(Equation)g(and)h(FEFFIT)h (Algorithms)91 430 y Fs(In)12 b(this)g(c)o(hapter)g(I'll)h(giv)o(e)e (the)h(details)h(the)e(n)o(umerical)i(pro)q(cedures)g(and)f(algorithms) f(used)h(in)h Fr(feffit)p Fs(in)g(as)0 484 y(m)o(uc)o(h)f(detail)h(as)f (p)q(ossible.)21 b(This)12 b(c)o(hapter)g(is)h(designed)h(to)d(tell)i (y)o(ou)f(\\what)f Fr(feffit)i Fs(really)h(do)q(es")e(in)h(some)f(part) 0 539 y(of)j(the)h(co)q(de.)22 b(I'll)17 b(try)e(to)g(b)q(e)i(coheren)o (t)e(and)h(concise,)h(so)e(an)o(y)g(further)h(questions)g(ab)q(out)g (the)g(algorithms)f(are)0 593 y(w)o(elcome.)20 b(Suggestions)c(for)f (impro)o(ving)h(an)o(y)e(part)h(of)g Fr(feffit)h Fs(will)h(b)q(e)f (greatly)f(appreciated.)21 b(I'll)c(start)d(with)0 648 y(the)i(XAFS)f(equation)h Fr(feffit)g Fs(uses)g(to)f(determine)h(the)g (mo)q(del)g(XAFS)g(function)g(in)h(terms)d(of)h(the)h(v)m(ariables.)0 702 y(Then)h(I'll)g(go)f(through)g(the)h(larger)f(structure)g(of)g(the) h(program.)22 b(Finally)l(,)c(I'll)f(discuss)h(some)e(the)g(imp)q (ortan)o(t)0 757 y(algorithms)f Fr(feffit)h Fs(uses)g(including)i(F)l (ourier)d(T)l(ransforms)f(and)i(in)o(terp)q(olation.)0 846 y Ff(6.1)90 b(The)21 b(XAFS)f(equation)91 910 y Fs(The)15 b(mo)q(del)h(calculation)h(for)e Fp(\037)p Fs(\()p Fp(k)q Fs(\))g(in)h Fr(feffit)g Fs(is)g(giv)o(en)f(b)o(y)356 1022 y Fp(\037)384 1029 y Fk(mo)q(del)483 1022 y Fs(\()p Fp(k)q Fs(\))d(=)616 979 y Fj(X)604 1076 y Fk(P)o(aths)702 1022 y Fp(\037)730 1029 y Fk(path)805 1022 y Fs(\()p Fp(k)q(;)c Fs(Amp)o(\()p Fp(k)q Fs(\))p Fp(;)g Fs(Phase)o(\()p Fp(k)q Fs(\))p Fp(;)g Fs(P)o(athP)o(aram)o(eters\))m Fp(:)0 1168 y(\037)28 1175 y Fk(mo)q(del)126 1168 y Fs(\()p Fp(k)q Fs(\))15 b(is)h(the)f(sum)h(o)o(v)o(er)e(paths)h(of)g Fp(\037)724 1175 y Fk(path)799 1168 y Fs(\()p Fp(k)q Fs(\),)g(whic)o(h)h(is)g(a)f(function)h(of)f(the)h(Phase)f(and)h (Amplitude)h(from)0 1222 y(the)c Fo(feffnnnn.dat)j Fs(\014le)e(for)e (the)h(path)f(\(whic)o(h)h(are)g(functions)g(of)g Fp(k)q Fs(\),)f(and)h(the)g(Numerical)h(P)o(ath)e(P)o(arameters,)0 1277 y(whic)o(h)19 b(are)e(the)h(ph)o(ysical)h(quan)o(tities)f(that)f Fr(feffit)i Fs(will)g(use)f(to)f(v)m(ary)g Fp(\037)1297 1284 y Fk(path)1373 1277 y Fs(\()p Fp(k)q Fs(\).)26 b(As)18 b(describ)q(ed)i(in)e(c)o(hapter)0 1331 y(4,)f(the)g(P)o(ath)f(P)o (arameters)g(are)h(the)g(ph)o(ysical)i(quan)o(tities)e(whic)o(h)h (alter)f(the)g(XAFS)h(of)e(a)h(scattering)g(and)g(are)0 1386 y(written)d(in)g(terms)g(of)f(v)m(ariables)i(and)f(User)g (De\014ned)g(F)l(unctions.)20 b(The)14 b Fr(feffit)h Fs(mo)q(del)g(uses)f(the)g(v)m(alues)h(of)e(the)0 1440 y(P)o(ath)h(P)o(arameters)g Fl(S02)p Fs(,)h Fl(e0)p Fs(,)f Fl(ei)p Fs(,)h Fl(delR)p Fs(,)f Fl(sigma2)p Fs(,)g Fl(third)p Fs(,)g(and)h Fl(fourth)g Fs(to)f(write)h Fp(\037)1488 1447 y Fk(path)1564 1440 y Fs(\()p Fp(k)q Fs(\))f(as:)72 1586 y Fp(\037)100 1593 y Fk(path)175 1586 y Fs(\()p Fp(k)q Fs(\))e(=)h(Im)351 1508 y Fj(\()393 1555 y Fs(Amp\()p Fp(k)q Fs(\))d Fi(\002)g Fp(N)643 1562 y Fk(degen)745 1555 y Fi(\002)h Fl(S02)p 393 1575 470 2 v 473 1617 a Fp(k)q Fs(\()p Fp(R)551 1624 y Fk(e\013)603 1617 y Fs(+)g Fl(delR)o Fs(\))762 1604 y Fk(2)898 1586 y Fs(exp)968 1521 y Fj(\022)1011 1586 y Fi(\000)g Fs(2)p Fp(p)1103 1567 y Fd(00)1126 1586 y Fp(R)1161 1593 y Fk(e\013)1213 1586 y Fi(\000)f Fs(2)p Fp(p)1304 1567 y Fk(2)1324 1586 y Fl(sigma2)f Fs(+)1528 1568 y Fk(2)p 1528 1575 19 2 v 1528 1601 a(3)1552 1586 y Fp(p)1575 1567 y Fk(4)1595 1586 y Fl(fourth)1738 1521 y Fj(\023)397 1740 y Fi(\002)34 b Fs(exp)535 1676 y Fj(\032)569 1740 y Fp(i)585 1703 y Fj(\002)604 1740 y Fs(2)p Fp(k)q(R)687 1747 y Fk(e\013)739 1740 y Fs(+)10 b(Phase\()p Fp(k)q Fs(\))g(+)g(2)p Fp(p)e Fs(\()p Fl(delR)h Fi(\000)h Fs(2)1267 1709 y Fl(sigma2)p 1267 1730 144 2 v 1300 1771 a Fp(R)1335 1778 y Fk(e\013)1416 1740 y Fs(\))g Fi(\000)1495 1722 y Fk(4)p 1495 1729 19 2 v 1495 1756 a(3)1518 1740 y Fp(p)1541 1721 y Fk(3)1561 1740 y Fl(third)1681 1703 y Fj(\003)1700 1676 y(\033)1734 1662 y(\))1779 1663 y Fp(:)65 b Fs(\(6)p Fp(:)p Fs(1\))0 1884 y Fp(p)23 1867 y Fd(0)53 1884 y Fs(and)17 b Fp(p)166 1867 y Fd(00)206 1884 y Fs(are)g(the)g(real)g(and)h(imaginary)f(comp)q (onen)o(ts)g(of)g(the)g(the)g(complex)h(momen)o(tum)f(with)g(resp)q (ect)h(to)0 1938 y Fp(E)34 1945 y Fk(0)69 1938 y Fs(\()d(the)g(b)q (ottom)g(of)f(the)i(conduction)g(band\),)f(and)g(are)g(ev)m(aluated)h (as)448 2092 y Fp(p)d Fs(=)g Fp(p)555 2074 y Fd(0)578 2092 y Fi(\000)d Fp(ip)662 2074 y Fd(00)697 2092 y Fs(=)745 2006 y Fj(s)p 791 2006 699 2 v 791 2028 a(\032)825 2092 y Fs(Re\(p\)\()p Fp(k)q Fs(\))g Fi(\000)1096 2062 y Fp(i)p 1061 2082 87 2 v 1061 2124 a(\025)p Fs(\()p Fp(k)q Fs(\))1153 2028 y Fj(\033)1187 2038 y Fk(2)1218 2092 y Fi(\000)g Fp(i)e Fl(ei)1342 2042 y Fj(\020)1374 2062 y Fs(2)p Fp(m)1437 2069 y Fh(e)p 1374 2082 83 2 v 1392 2128 a Fs(\026)-23 b Fp(h)1418 2108 y Fk(2)1462 2042 y Fj(\021)1489 2092 y Fp(:)355 b Fs(\(6)p Fp(:)p Fs(2\))0 2227 y Fp(k)16 b Fs(is)g(the)f(real)h(momen)o(tum)e(resp)q(ect)i(to)f Fp(E)737 2234 y Fk(F)m(ermi)829 2227 y Fs(\),)g(ev)m(aluated)h(as)714 2364 y Fp(k)d Fs(=)799 2295 y Fj(r)p 845 2295 379 2 v 845 2364 a Fp(k)870 2348 y Fk(2)869 2377 y(FEFF)976 2364 y Fi(\000)d Fl(e0)1076 2313 y Fj(\020)1109 2333 y Fs(2)p Fp(m)1172 2340 y Fh(e)p 1109 2353 83 2 v 1127 2400 a Fs(\026)-23 b Fp(h)1153 2379 y Fk(2)1197 2313 y Fj(\021)1224 2364 y Fp(:)620 b Fs(\(6)p Fp(:)p Fs(3\))0 2489 y(The)17 b(quan)o(tities)h(Amp,)g(Phase,)f(Re\(p\),)g(and)h Fp(\025)e Fs(in)i(the)f(ab)q(o)o(v)o(e)g(equations)g(are)g(all)h(functions)g(of)f Fp(k)1750 2496 y Fk(FEFF)1847 2489 y Fs(,)g(and)0 2543 y(are)g(tak)o(en)g(from)f(the)h Fo(feffnnnn.dat)k Fs(\014le)d(for)f (that)f(path)h(\(as)g(is)g Fp(k)1204 2550 y Fk(FEFF)1318 2543 y Fs(itself.)27 b Fp(N)1489 2550 y Fk(degen)1581 2543 y Fs(,)18 b(and)f Fp(R)1737 2550 y Fk(e\013)1796 2543 y Fs(are)g(also)0 2598 y(tak)o(en)e(from)g(this)g(\014le.)22 b(The)15 b(v)m(alue)i(of)e Fp(N)712 2605 y Fk(degen)820 2598 y Fs(will)i(b)q(e)f(tak)o(en)e(from)h Fr(feff)i Fs(for)e(all)h(paths)f(unless)i(the)e Fl(Nodegen)0 2652 y Fs(\015ag)g(is)h(set,)e(in)i(whic)o(h)g(case)f(all)i(v)m(alues)f(of)f Fp(N)782 2659 y Fk(degen)889 2652 y Fs(will)i(b)q(e)f(set)f(to)f(1.)91 2716 y(The)f(fact)f(that)g(b)q(oth)h(the)g(purely)h(real)f Fp(k)h Fs(and)f(the)g(complex)h Fp(p)e Fs(are)h(used)g(for)f(this)i (calculation)g(of)e Fp(\037)1814 2723 y Fk(path)1890 2716 y Fs(\()p Fp(k)q Fs(\))0 2770 y(needs)i(some)f(explanation.)20 b Fp(p)13 b Fs(is)g(the)g(preferred)h(momen)o(tum)e(since)j(it)e(is)g (more)g(lik)o(e)h(the)f(Hermitian)h(conjugate)0 2825 y(to)g Fp(r)q Fs(,)g(the)g(p)q(osition)h(op)q(erator)f(of)g(the)g (photo-electron.)20 b(The)15 b(di\013erence)h(b)q(et)o(w)o(een)e(the)h (t)o(w)o(o)e(is)i(fairly)f(small)i(for)p eop %%Page: 22 23 22 22 bop 0 100 a Fr(feffit)419 b Fg(The)16 b(XAFS)f(Equation)g(and)h (FEFFIT)e(Algorithms)419 b Fn(22)p 0 118 1950 2 v 0 245 a Fs(momen)o(tums)14 b(ab)q(o)o(v)o(e)g(a)h(few)503 237 y(\027)503 245 y(A)537 229 y Fd(\000)p Fk(1)601 245 y Fs(and)g(it)g(could)g(probably)h(b)q(e)f(argued)g(that)f(using)h(a)g (constan)o(t)e(energy)i(origin)0 300 y(is)g(a)g(more)g(serious)g (problem)h(than)f(whic)o(h)g(origin)h(to)e(use.)21 b(W)l(e)15 b(use)g Fp(p)g Fs(consisten)o(t)g(with)g Fr(feff)p Fs(.)21 b(This)16 b(is)f(sho)o(wn)0 355 y(explicitly)i(ev)o(erywhere)d(that)f (an)o(ything)i(from)e Fr(feff)i Fs(is)g(c)o(hanged.)20 b(But)14 b(w)o(e)g(use)g Fp(k)h Fs(ev)o(erywhere)f(where)h(the)f(the)0 409 y Fr(feff)h Fs(calculation)g(is)f(b)q(eing)h(reconstructed.)k Fr(feff)c Fs(actually)f(calculates)20 b(~)-28 b Fp(\037)p Fs(\()p Fp(p)p Fs(\))13 b(as)g(a)g(complex)h(function)h(of)e(the)0 464 y(complex)i(momen)o(tum)e(and)h(then)g(breaks)f(this)h(in)o(to)g (amplitude)h(and)f(phase)g(terms)f(as)h(a)f(functions)h(of)g Fp(k)g Fs(when)0 518 y(writing)j(its)g(outputs.)25 b(So)16 b(all)i(the)f(o)q(ccurrences)h(of)e Fp(k)i Fs(in)f(Eq.)g(\(6.1\))e(are) h(to)g(carefully)i(reconstruct)f(the)g Fr(feff)0 573 y Fs(calculation)g(b)q(efore)e(altering)h(it)g(with)f(the)g(P)o(ath)g (P)o(arameters.)91 639 y(The)f(phase)f(term)g Fi(\000)p Fs(4)p Fp(p)8 b Fl(sigma2)o Fp(=R)704 646 y Fk(e\013)759 639 y Fs(in)15 b(Eq.)e(\(6.1\))f(comes)h(ab)q(out)g(b)q(ecause)i(the)e (usual)i(cum)o(ulan)o(t)e(expan-)0 693 y(sion)18 b(ignores)h(the)f(1)p Fp(=R)416 677 y Fk(2)453 693 y Fs(dep)q(endence)j(of)c(the)h(XAFS)g (signal.)29 b(This)19 b(term)e(is)i(the)f(\014rst-order)f(correction)i (to)0 748 y(ignoring)g(this)f(term.)29 b(It)18 b(is)g(usually)i(quite)f (small,)g(but)f(can)g(b)q(e)h(imp)q(ortan)o(t)f(for)f(systems)h(with)g (large)h(disor-)0 802 y(ders.)j(F)l(or)15 b(more)h(on)f(this,)h(see)g (the)g(article)h(b)o(y)f(Rehr,)g(Ingalls,)h(and)f(Crozier)g(in)h Fg(X-Ra)o(y)f(Absorption,)g(v.92)e(of)0 857 y(Chemical)i(Analysis)p Fs(,)g(edited)h(b)o(y)e(Koningsb)q(erger)h(and)g(Prins.)0 955 y Ff(6.2)90 b(The)21 b(FEFFIT)e(Pro)r(cedure)91 1021 y Fr(feffit)i Fs(is)f(a)f(simple)i(program)e(in)i(that)e(it)g(reads)h (an)g(input)g(\014le,)i(reads)e(some)f(other)g(\014les,)j(and)e(then)0 1075 y(do)q(es)e(a)g(single)i(calculation.)30 b(It)18 b(alw)o(a)o(ys)g(pro)q(ceeds)h(exactly)f(the)h(same)e(w)o(a)o(y)h (through)f(the)i(calculation,)h(and)0 1130 y(only)f(skips)g(steps)f(if) h(explicitly)i(told)e(to)f(do)g(so.)29 b(It)19 b(do)q(es)f(not)g(run)h (in)o(teractiv)o(ely)l(,)h(and)f(there)f(is)h(no)f(w)o(a)o(y)g(to)0 1184 y(stop)c(in)h(the)g(middle)h(or)e(go)g(half)h(w)o(a)o(y)e(bac)o(k) i(to)e(c)o(hange)i(something.)20 b(Here)15 b(are)f(the)g(steps)h Fr(feffit)g Fs(tak)o(es)f(from)0 1239 y(b)q(eginning)j(to)e(end:)75 1326 y(1.)39 b Fr(feffit)17 b Fs(reads)e Fo(feffit.inp)t Fs(.)22 b(All)17 b(the)e(input)i(\015ags)e(and)h(commands)g(describ)q (ed)i(in)e(c)o(hapter)150 1380 y(3)h(are)g(set.)26 b(Math)16 b(Expressions)i(for)f(User)g(De\014ned)h(F)l(unctions)g(and)g(P)o(ath)e (P)o(arameters)g(are)150 1435 y(translated)e(in)o(to)h(quic)o(kly)g (deco)q(dable)h(form)e(as)g(they)g(are)h(read.)k(The)c(Math)e (Expressions)i(are)150 1489 y(c)o(hec)o(k)o(ed)h(for)e(syn)o(tax)h (errors)f(and)h(to)g(ensure)h(that)e(all)i(v)m(ariables)h(are)e (de\014ned)h(and)g(used.)75 1564 y(2.)39 b(The)15 b(Exp)q(erimen)o(tal) i(data)d(\014le)i(is)g(read.)k(If)15 b(needed,)h(the)g(data)e(are)h(in) o(terp)q(olated)h(to)f(uniform)150 1624 y Fp(k)q Fs(-spacing)f(with)g Fp(\016)472 1631 y Fh(k)507 1624 y Fs(=)f(0)p Fp(:)p Fs(05)659 1616 y(\027)659 1624 y(A)693 1608 y Fd(\000)p Fk(1)742 1624 y Fs(.)19 b(V)l(alues)14 b(for)f(the)g(\014t)g(and)h(F)l (ourier)f(T)l(ransform)g(ranges)g(ma)o(y)150 1679 y(b)q(e)j(adjusted)f (sligh)o(tly)i(to)d(re\015ect)i(these)f(data)g(ranges.)75 1754 y(3.)39 b(The)15 b Fo(feffnnnn.dat)k Fs(\014les)d(are)f(read.)75 1824 y(4.)39 b(The)15 b(b)q(est-\014t)h(v)m(alues)g(for)f(the)g(v)m (ariables)i(are)e(found.)75 1895 y(5.)39 b(The)16 b(uncertain)o(ties)g (in)g(the)g(v)m(ariables)g(and)g(correlations)f(b)q(et)o(w)o(een)h(v)m (ariables)h(are)e(estimated)150 1949 y(b)o(y)g(in)o(v)o(erting)h(the)f (curv)m(ature)h(matrix,)e(as)h(discussed)i(in)f(c)o(hapter)f(5.)75 2025 y(6.)39 b Fo(feffit.log)25 b Fs(is)e(written.)39 b(This)22 b(will)h(con)o(tain)f(b)q(est-\014t)g(v)m(alues)h(for)e(the)g (v)m(ariables,)j(their)150 2079 y(uncertain)o(ties)12 b(and)g(correlations,)g(and)f(go)q(o)q(dness-of-\014t)g(statistics.)19 b(User)11 b(De\014ned)h(F)l(unctions)150 2134 y(and)j(the)h(P)o(ath)e (P)o(arameters)g(for)g(eac)o(h)i(path)f(will)i(also)e(b)q(e)h(written.) 75 2209 y(7.)39 b(Output)14 b(data)g(\014les)h(are)f(written.)19 b(These)c(will)g(con)o(tain)f(data,)g(full)h(\014t,)f(and)g(the)g(con)o (tribution)150 2263 y(to)i(the)g(\014t)h(from)e(eac)o(h)i(path.)24 b(The)16 b(outputs)g(will)j(b)q(e)e(written)f(in)h Fp(k)q Fi(\000)p Fs(,)g Fp(R)p Fi(\000)p Fs(,)g(and)g(bac)o(ktrans-)150 2318 y(formed)e Fp(k)q Fi(\000)p Fs(space.)0 2432 y(Step)f(4)f(is)h (the)g(hard)f(part)g(\(deciding)j(ho)o(w)d(to)g(impro)o(v)o(e)g(the)h (v)m(alues)h(of)e(the)g(v)m(ariables,)i(and)f(when)g(these)g(v)m(alues) 0 2486 y(are)g(go)q(o)q(d)g(enough)g(to)f(quit\))i(is)f(done)h(b)o(y)f (standard)f(non-linear)j(least)e(squares)g(routines)g(\(from)f Fr(minp)m(a)o(ck)p Fs(\),)g(so)0 2541 y(w)o(e)i(don't)g(ha)o(v)o(e)f (to)h(w)o(orry)f(to)q(o)h(m)o(uc)o(h)g(ab)q(out)g(it.)91 2607 y(But)20 b(w)o(e)g(do)g(need)g(to)g(pro)o(vide)g(the)g(function)h (to)e(b)q(e)i(minimized)h(for)e(a)f(set)h(of)g(v)m(ariables)h(so)f (that)f(the)0 2661 y(least-squares)f(blac)o(k-b)q(o)o(x)h(can)g(ev)m (aluate)g(this)g(function)g(for)f(an)o(y)g(set)g(of)g(v)m(ariables.)31 b(Let)18 b(me)g(represen)o(t)h(the)0 2716 y(set)d(of)g(v)m(ariables)i (b)q(e)g(the)e(v)o(ector)g Fn(x)g Fs(\(there)h(ma)o(y)e(b)q(e)j(more)e (than)g(one\).)24 b(The)17 b(function)g(to)f(b)q(e)h(minimized)j(,)c Fn(f)0 2770 y Fs(\(whic)o(h)g(is)h(a)e(v)o(ector)g(b)q(ecause)i(it)f (is)g(a)g(complex)h(function)f(of)g(either)g Fp(R)g Fs(or)f Fp(k)q Fs(\),)g(is)i(found)f(for)f(a)h(giv)o(en)g Fn(x)f Fs(in)i(the)0 2825 y(follo)o(wing)f(w)o(a)o(y:)p eop %%Page: 23 24 23 23 bop 0 100 a Fr(feffit)419 b Fg(The)16 b(XAFS)f(Equation)g(and)h (FEFFIT)e(Algorithms)419 b Fn(23)p 0 118 1950 2 v 115 252 a Fs(1.)29 b Fp(\037)208 259 y Fk(mo)q(del)306 252 y Fs(\()p Fp(k)q Fs(\))18 b(is)h(formed)f(b)o(y)g(summing)h(the)f(con)o (tribution)i(from)d(eac)o(h)i(path)f(o)o(v)o(er)f(the)i(P)o(ath)180 307 y(Index.)i(F)l(or)15 b(eac)o(h)g(path:)190 380 y(a.)29 b(The)18 b(User)g(De\014ned)h(F)l(unctions)f(are)g(determined)h(in)g (terms)e(of)g Fn(x)p Fs(.)28 b(Note)17 b(that)g(this)h(is)255 434 y(done)g(for)e(eac)o(h)i(path,)f(so)g(that)g(path)g(dep)q(enden)o (t)i(quan)o(tities)f(lik)o(e)g Fl(reff)f Fs(can)g(b)q(e)h(used)255 489 y(in)e(the)f(User)g(De\014ned)i(F)l(unctions.)187 561 y(b.)30 b(The)15 b(P)o(ath)g(P)o(arameters,)e(\()p Fl(S02)p Fs(,)i Fl(delR)p Fs(,)f(etc.\))20 b(are)15 b(determined)h(in)g (terms)f(of)g Fn(x)f Fs(and)i(the)255 616 y(User-De\014ned)g(F)l (unctions.)192 689 y(c.)30 b Fp(\037)283 696 y Fk(path)358 689 y Fs(\()p Fp(k)q Fs(\))15 b(for)f(this)i(path)f(is)h(found)f(using) h(Eq.)f(\(6.1\).)187 757 y(d.)30 b(This)16 b Fp(\037)387 764 y Fk(path)462 757 y Fs(\()p Fp(k)q Fs(\))f(is)g(added)h(to)f(the)g (total)g Fp(\037)988 764 y Fk(mo)q(del)1086 757 y Fs(\()p Fp(k)q Fs(\).)115 825 y(2.)29 b(The)15 b(total)f Fp(\037)409 832 y Fk(mo)q(del)507 825 y Fs(\()p Fp(k)q Fs(\))g(is)h(F)l(ourier)g(T) l(ransformed)f(in)o(to)h Fp(R)p Fs(-space)g(\(and)g(then)g(in)o(to)f Fp(k)q Fs(-space)h(if)180 880 y(\014tting)g(in)h Fp(k)q Fs(-space\),)f(giving)i(the)e(real)g(and)h(imaginary)f(parts)g(of)20 b(~)-28 b Fp(\037)1362 887 y Fk(mo)q(del)1460 880 y Fs(.)112 952 y(3)45 b(The)15 b(\014tting)h(function,)g Fn(f)k Fs(is)c(determined)g(b)o(y)f(subtracting)21 b(~)-28 b Fp(\037)1252 959 y Fk(mo)q(del)1365 952 y Fs(from)15 b(the)20 b(~)-28 b Fp(\037)1579 959 y Fk(data)1667 952 y Fs(\(whic)o(h)180 1007 y(w)o(as)19 b(already)h(formed)g(from)f(the)h (data)f Fp(\037)926 1014 y Fk(data)999 1007 y Fs(\()p Fp(k)q Fs(\))g(b)q(efore)h(the)g(\014t)g(w)o(as)f(started\))g(o)o(v)o (er)g(the)180 1061 y(\014tting)14 b(range.)19 b(This)c(is)f(a)g (complex)h(function)f(of)g Fp(R)g Fs(or)f Fp(k)q Fs(,)h(found)g(using)h (either)g(Eq.)e(\(5.2\))f(or)180 1116 y(Eq.)j(\(5.3\))e(.)0 1203 y(This)h(function)h Fn(f)j Fs(is)c(used)g(b)o(y)g(the)g (least-squares)f(algorithm)h(to)f(select)h(an)g(impro)o(v)o(ed)f(set)h (of)f(v)m(ariables,)i Fn(x)p Fs(,)e(and)0 1258 y(these)i(steps)f(are)h (rep)q(eated)g(un)o(til)g(the)g(sum)g(of)f(squares)g(of)g(the)h(elemen) o(ts)g(of)f Fn(f)20 b Fs(is)15 b(minimized.)22 b(If)15 b(y)o(ou're)f(up)h(to)0 1312 y(reading)h(F)o(OR)l(TRAN,)f(the)h(steps)f (ab)q(o)o(v)o(e)g(o)q(ccur)g(in)h(the)g(subroutines)g Fr(fitfun)f Fs(and)g Fr(chipth)p Fs(.)0 1402 y Ff(6.3)90 b(F)-5 b(ourier)20 b(T)-5 b(ransforms)91 1466 y Fs(F)l(ourier)16 b(T)l(ransforms)e(are)h(prett)o(y)g(common)g(in)h(XAFS)g(analysis,)g (but)g(they)f(need)i(to)d(b)q(e)j(discussed)g(here)0 1521 y(for)e(completeness.)20 b(Most)15 b(XAFS)g(analysis)h(\()p Fr(feffit)g Fs(included\))h(uses)599 1676 y(~)-29 b Fp(\037)q Fs(\()p Fp(R)p Fs(\))12 b(=)791 1645 y(1)p 758 1666 89 2 v 758 1675 a Fi(p)p 796 1675 51 2 v 37 x Fs(2)p Fp(\031)874 1605 y Fd(1)859 1614 y Fj(Z)863 1743 y Fk(0)912 1676 y Fp(k)937 1657 y Fh(w)974 1676 y Fp(\037)p Fs(\()p Fp(k)q Fs(\))c(W\()p Fp(k)q Fs(\))g Fp(e)1208 1657 y Fh(i)p Fk(2)p Fh(k)q(R)1295 1676 y Fp(dk)q(:)500 b Fs(\(6)p Fp(:)p Fs(4\))0 1834 y(and)602 1928 y(~)-28 b Fp(\037)p Fs(\()p Fp(k)q Fs(\))12 b(=)784 1897 y(1)p 752 1918 89 2 v 752 1927 a Fi(p)p 789 1927 51 2 v 789 1964 a Fs(2)p Fp(\031)868 1857 y Fd(1)853 1866 y Fj(Z)856 1995 y Fk(0)913 1928 y Fp(\037)p Fs(\()p Fp(R)p Fs(\))c(W\()p Fp(R)p Fs(\))g Fp(e)1167 1909 y Fd(\000)p Fh(i)p Fk(2)p Fh(k)q(R)1282 1928 y Fp(dR:)503 b Fs(\(6)p Fp(:)p Fs(5\))0 2066 y(Of)11 b(course,)g(discrete)g(forms)f(of)g(these)g(are)h(really)g(used)g(so)f (that)g(the)g(F)l(ast)g(F)l(ourier)h(T)l(ransform)e(can)i(b)q(e)g (exploited.)0 2128 y(The)20 b Fp(k)q Fs(-space)g(grid)g(is)g Fp(\016)r(k)g Fs(=)g(0)p Fp(:)p Fs(05)623 2120 y(\027)623 2128 y(A)656 2100 y Fd(\000)p Fk(1)705 2128 y Fs(,)g(and)f(arra)o(y)g (sizes)h(for)f Fp(\037)p Fs(\()p Fp(k)q Fs(\))g(and)25 b(~)-28 b Fp(\037)p Fs(\()p Fp(R)p Fs(\))19 b(are)g Fp(N)1572 2135 y Fk(\013t)1629 2128 y Fs(=)h(512,)f(1024,)g(or)0 2183 y(2048.)32 b(The)20 b(arra)o(y)e(for)h Fp(\037)p Fs(\()p Fp(k)q Fs(\))h(is)g(\\padded")g(with)g(zeros)f(past)h(the)f (range)h(of)f(measured)h(data.)32 b(This)20 b(\\zero)0 2237 y(padding")c(has)f(the)g(e\013ect)g(of)g(smo)q(othly)g(\014lling)i (in)f(data)e(p)q(oin)o(ts)i(in)g Fp(R)p Fs(-space.)k(It)15 b(also)g(giv)o(es)g(an)g Fp(R)p Fs(-space)h(grid)0 2292 y(of)f Fp(\016)r(R)e Fs(=)g Fp(\031)r(=)m(N)255 2299 y Fk(\013t)300 2292 y Fp(\016)r(k)q Fs(,)i(and)h(w)o(e)f(write)h Fp(k)672 2299 y Fh(n)709 2292 y Fs(=)e Fp(n\016)r(k)i Fs(and)g Fp(R)971 2299 y Fh(m)1018 2292 y Fs(=)d Fp(m)8 b(\016)r(R)p Fs(.)20 b(The)c(discrete)g(F)l(ourier)g(T)l(ransforms)e (used)0 2346 y(are)494 2435 y(~)-28 b Fp(\037)p Fs(\()p Fp(R)570 2442 y Fh(m)604 2435 y Fs(\))12 b(=)727 2404 y Fp(i\016)r(k)p 688 2424 140 2 v 688 2433 a Fi(p)p 726 2433 103 2 v 35 x Fp(\031)r(N)791 2475 y Fk(\013t)851 2377 y Fh(N)880 2382 y Fb(fft)850 2391 y Fj(X)848 2488 y Fh(n)p Fk(=1)925 2435 y Fp(\037)p Fs(\()p Fp(k)995 2442 y Fh(n)1019 2435 y Fs(\))c(W\()p Fp(k)1134 2442 y Fh(n)1157 2435 y Fs(\))g Fp(k)1208 2416 y Fh(w)1207 2446 y(n)1237 2435 y Fp(e)1258 2416 y Fk(2)p Fh(\031)q(inm=)n(N)1411 2421 y Fb(fft)1448 2435 y Fp(;)396 b Fs(\(6)p Fp(:)p Fs(6\))0 2558 y(and)492 2647 y(~)-28 b Fp(\037)p Fs(\()p Fp(k)557 2654 y Fh(n)581 2647 y Fs(\))13 b(=)688 2616 y(2)p Fp(i\016)r(R)p 665 2636 140 2 v 665 2645 a Fi(p)p 703 2645 103 2 v 35 x Fp(\031)r(N)768 2687 y Fk(\013t)833 2589 y Fh(N)862 2594 y Fb(fft)832 2604 y Fj(X)826 2700 y Fh(m)p Fk(=1)917 2647 y Fs(~)-28 b Fp(\037)p Fs(\()p Fp(R)993 2654 y Fh(m)1027 2647 y Fs(\))8 b(W\()p Fp(R)1153 2654 y Fh(m)1185 2647 y Fs(\))g Fp(e)1232 2628 y Fd(\000)p Fk(2)p Fh(\031)q(inm=)n(N)1413 2633 y Fb(fft)1451 2647 y Fp(;)393 b Fs(\(6)p Fp(:)p Fs(7\))0 2770 y(These)17 b(normalizations)f(preserv)o(e)h(the)f(symmetry)f(prop)q(erties)i(of)f (the)g(F)l(ourier)h(T)l(ransforms)e(with)h(conjugate)0 2825 y(v)m(ariables)h Fp(k)f Fs(and)f(2)p Fp(R)p Fs(.)p eop %%Page: 24 25 24 24 bop 0 100 a Fr(feffit)419 b Fg(The)16 b(XAFS)f(Equation)g(and)h (FEFFIT)e(Algorithms)419 b Fn(24)p 0 118 1950 2 v 91 245 a Fs(While)20 b(the)g(\014tting)f(is)g(b)q(eing)i(done,)f(the)f (arra)o(y)f(size)i Fp(N)1084 252 y Fk(\013t)1141 245 y Fs(\(whic)o(h)f(is)h(the)f(n)o(um)o(b)q(er)g(of)g(p)q(oin)o(ts)h(b)q (et)o(w)o(een)0 300 y(0)e(and)h(10)p Fp(\031)213 292 y Fs(\027)213 300 y(A)g(in)g Fp(R)p Fs(-space\))f(is)h(set)f(to)g Fl(MFTFIT)p Fs(,)f(whic)o(h)j(is)f(usually)g(512)f(or)g(1024.)28 b(This)19 b(k)o(eeps)g(the)f(spacing)0 355 y(b)q(et)o(w)o(een)f(data)e (p)q(oin)o(ts)i(not)f(m)o(uc)o(h)h(smaller)g(than)f(the)h(spacing)g(b)q (et)o(w)o(een)f(indep)q(enden)o(t)j(p)q(oin)o(ts)e(so)f(that)g Fp(N)k Fs(is)0 409 y(not)e(to)q(o)h(m)o(uc)o(h)g(bigger)g(than)f Fp(N)579 416 y Fk(idp)650 409 y Fs(\(though)h(it)g(is)g(guaran)o(teed)g (to)f(b)q(e)h(bigger\),)h(and)f(sp)q(eeds)g(up)h(the)f(co)q(de.)0 464 y(Changing)g(the)g(v)m(alue)h(of)e Fl(MFTFIT)g Fs(should)i(not)e (signi\014can)o(tly)i(a\013ect)e(the)h(\014t)f(results.)31 b(If)19 b(y)o(ou)g(ha)o(v)o(e)f(a)g(small)0 518 y(n)o(um)o(b)q(er)g(of) g(indep)q(enden)o(t)i(p)q(oin)o(ts)e(in)h(the)f(\014t)g(range)f(\(few)o (er)g(than)h(10\),)f(and)h(y)o(ou)g(\014nd)h(a)e(truly)h(a)o(wful)g (\014t)g(b)o(y)0 573 y(ey)o(e)c(giv)o(es)g(a)g(small)h Fp(\037)370 556 y Fk(2)391 573 y Fs(,)f(it)g(migh)o(t)g(b)q(e)g(that)g Fl(MFTFIT)f Fs(is)h(to)q(o)g(small,)h(and)f(that)f(the)h(\014tting)g (got)g(stuc)o(k)f(in)i(a)f(\\false)0 627 y(minim)o(um".)22 b(This)16 b(should)h(b)q(e)f(a)f(v)o(ery)g(rare)g(o)q(ccurrence,)i(but) f(if)g(it)f(happ)q(ens,)i(y)o(ou)e(should)i(increase)f Fl(MFTFIT)p Fs(.)0 682 y(When)f(writing)f(the)g(output)g Fp(R)p Fs(-space)h(data)e(\014les,)i(the)g(v)m(alue)g(of)f Fp(N)1170 689 y Fk(\013t)1221 682 y Fs(is)h(set)f(to)g Fl(MFTWRT)p Fs(,)f(whic)o(h)i(will)g(normally)0 736 y(b)q(e)h(2048.)j (Both)c Fl(MFTWRT)f Fs(and)h Fl(MFTFIT)g Fs(can)g(b)q(e)h(set)f(b)o(y)g (the)g(user)h(to)e(b)q(e)i(512,)e(1024,)g(or)g(2048.)91 803 y(T)l(o)f(transform)g(from)g Fp(\037)p Fs(\()p Fp(k)q Fs(\))g(to)18 b(~)-28 b Fp(\037)p Fs(\()p Fp(R)p Fs(\),)13 b Fp(\037)p Fs(\()p Fp(k)q Fs(\))h(ma)o(y)f(b)q(e)h(w)o(eigh)o(ted)g(b) o(y)g Fp(k)1286 787 y Fh(w)1315 803 y Fs(.)19 b(F)l(or)13 b(b)q(oth)h(transforms,)e(a)i(F)l(ourier)0 858 y(T)l(ransform)i(Windo)o (w)h(is)g(used)g(to)f(select)i(a)e(\014nite)i(data)e(range.)24 b(This)18 b(Windo)o(w)f(is)g(used)g(to)f(smo)q(oth)g(out)h(the)0 912 y(data)i(while)i(main)o(taining)g(some)f(p)q(eak)g(separation.)33 b(The)21 b(functional)f(form)g(of)f(the)h(Windo)o(w)g(dep)q(ends)h(on)0 967 y Fl(Ikwindo)p Fs(\))15 b(\(whic)o(h)i(giv)o(es)g(the)f(the)h (functional)g(form)f(of)g(the)h(windo)o(w\),)f Fl(Kmin)p Fs(,)g Fl(Kmax)p Fs(,)g Fl(Dk1)p Fs(,)f(and)i Fl(Dk2)p Fs(,)f(for)g(the)0 1022 y(forw)o(ard)h(transform)f(\()p Fp(k)i Fi(!)g Fp(R)p Fs(\),)g(and)g(on)g Fl(Irwindo)p Fs(,)g Fl(Rmin)p Fs(,)f Fl(Rmax)p Fs(,)h Fl(Dr1)p Fs(,)g(and)g Fl(Dr2)p Fs(,)g(for)f(the)h(bac)o(k)g(transform)0 1076 y(\()p Fp(R)13 b Fi(!)h Fp(k)q Fs(\).)21 b(There)16 b(and)g(curren)o (tly)g(8)g(options)f(for)g(the)h(functional)h(form)e(of)g(the)h(Windo)o (w.)22 b(An)o(ything)16 b(said)g(in)0 1131 y(fa)o(v)o(or)e(of)g(one)h (of)g(the)g(Windo)o(w)g(t)o(yp)q(es)g(is)g(little)i(more)d(than)h (folklore,)g(with)h(the)f(exception)h(of)e(the)h(Loren)o(tzian)0 1185 y(Windo)o(w)k(\(3\),)g(whic)o(h)h(is)g(probably)g(not)f(w)o(orth)f (using)i(for)f(XAFS)g(analysis.)33 b(If)19 b(using)h(di\013eren)o(t)g (Windo)o(ws)0 1240 y(giv)o(es)15 b(di\013eren)o(t)h(n)o(um)o(b)q(ers)f (for)g(y)o(our)f(\014t,)h(there)g(is)h(probably)g(something)f(wrong.)91 1307 y(Here)20 b(are)g(the)h(functional)g(forms)f(of)f(the)i(a)o(v)m (ailable)h(F)l(ourier)e(T)l(ransform)f(Windo)o(ws)i(in)g Fr(feffit)p Fs(.)36 b(F)l(or)0 1361 y(simplicit)o(y)l(,)19 b(all)f(are)f(written)g(as)f(functions)i(of)f Fp(k)h Fs(\(The)f Fp(R)p Fs(-space)g(windo)o(ws)g(are)f(exactly)i(analogous)e (to)h(these)0 1416 y(with)f Fl(Ikwindo)p Fs(,)d Fl(kmin)p Fs(,)i Fl(kmax)p Fs(,)f Fl(Dk1)p Fs(,)g(and)i Fl(Dk2)e Fs(replaced)j(b)o(y)e Fl(Irwindo)p Fs(,)f Fl(Rmin)p Fs(,)g Fl(Rmax)p Fs(,)g Fl(Dr1)p Fs(,)h(and)g Fl(Dr2)p Fs(\):)86 1538 y Fl(Ikwindo)46 b Fs(Windo)o(w)15 b(T)o(yp)q(e)h(and)f(functional) h(form)134 1610 y Fl(0)142 b Fs(Hanning)16 b(Windo)o(w)f(Sills:)22 b(The)16 b(Default)f(Windo)o(w)g(T)o(yp)q(e.)308 1810 y(W\()p Fp(k)q Fs(\))c(=)475 1663 y Fj(8)475 1703 y(>)475 1717 y(>)475 1731 y(>)475 1744 y(>)475 1758 y(<)475 1840 y(>)475 1853 y(>)475 1867 y(>)475 1881 y(>)475 1894 y(:)523 1728 y Fs(sin)579 1709 y Fk(2)607 1664 y Fj(\022)646 1698 y Fp(\031)e Fs(\()p Fp(k)i Fi(\000)f Fl(Kmin)g Fs(+)g Fl(Dk1)p Fp(=)p Fs(2)o(\))p 646 1718 420 2 v 801 1760 a(2)15 b Fl(Dk1)1071 1664 y Fj(\023)1104 1728 y Fp(;)50 b Fl(Kmin)10 b Fi(\000)g Fl(Dk1)p Fp(=)p Fs(2)i Fi(\024)h Fp(k)h(<)f Fl(Kmin)c Fs(+)i Fl(Dk1)o Fp(=)p Fs(2)523 1810 y(1)p Fp(:)p Fs(0)p Fp(;)572 b Fl(Kmin)10 b Fs(+)g Fl(Dk1)p Fp(=)p Fs(2)i Fi(\024)h Fp(k)h Fi(\024)f Fl(Kmax)c Fi(\000)i Fl(Dk2)o Fp(=)p Fs(2)523 1892 y(cos)584 1873 y Fk(2)612 1828 y Fj(\022)651 1861 y Fp(\031)e Fs(\()p Fp(k)i Fi(\000)f Fl(Kmax)g Fs(+)g Fl(Dk2)p Fp(=)p Fs(2)o(\))p 651 1882 V 806 1923 a(2)15 b Fl(Dk2)1076 1828 y Fj(\023)1109 1892 y Fp(;)45 b Fl(Kmax)10 b Fi(\000)g Fl(Dk2)p Fp(=)p Fs(2)i Fp(<)h(k)h Fi(\024)f Fl(Kmax)c Fs(+)i Fl(Dk2)o Fp(=)p Fs(2)134 2035 y Fl(1)142 b Fs(Hanning)17 b(Windo)o(w)e(F)l (raction:)21 b Fl(Dk1)15 b Fs(is)i(the)e(fraction)h(of)f(the)h(windo)o (w)g(range)f(that)g(is)h(not)300 2089 y(held)g(at)f(1.00.)k(In)c(the)h (form)o(ula)f(b)q(elo)o(w,)g Fp(\015)g Fs(=)e Fl(Dk1)o Fs(\()p Fl(Kmax)c Fi(\000)i Fl(Kmin)o Fs(\))p Fp(=)p Fs(2)308 2292 y(W\()p Fp(k)q Fs(\))g(=)475 2158 y Fj(8)475 2199 y(>)475 2212 y(>)475 2226 y(>)475 2240 y(<)475 2321 y(>)475 2335 y(>)475 2349 y(>)475 2362 y(:)523 2213 y Fs(sin)579 2193 y Fk(2)607 2148 y Fj(\022)646 2182 y Fp(\031)e Fs(\()p Fp(k)i Fi(\000)f Fl(Kmin)g Fs(+)g Fl(Dk1)p Fp(=)p Fs(2)o(\))p 646 2202 V 801 2244 a(2)15 b Fl(Dk1)1071 2148 y Fj(\023)1104 2213 y Fp(;)58 b Fl(Kmin)12 b Fi(\024)h Fp(k)h(<)f Fl(Kmin)c Fs(+)i Fp(\015)523 2292 y Fs(1)p Fp(:)p Fs(0)593 b Fl(Kmin)9 b Fs(+)i Fp(\015)j Fi(\024)f Fp(k)h Fi(\024)f Fl(Kmax)d Fi(\000)g Fp(\015)531 2371 y Fs(cos)592 2352 y Fk(2)620 2307 y Fj(\022)659 2340 y Fp(\031)f Fs(\()p Fp(k)i Fi(\000)f Fl(Kmax)g Fs(+)g Fl(Dk1)p Fp(=)p Fs(2)o(\))p 659 2361 V 813 2402 a(2)15 b Fl(Dk1)1083 2307 y Fj(\023)1117 2371 y Fp(;)45 b Fl(Kmax)9 b Fi(\000)i Fp(\015)j(<)f(k)h Fi(\024)f Fl(Kmax)134 2514 y(2)142 b Fs(Gaussian)19 b(Windo)o(w:)27 b(Note)18 b(that)g(W\()p Fp(k)q Fs(\))g(nev)o(er)g(go)q(es)h(to)f(zero.)30 b Fl(Iwindo)18 b Fs(=)h(7)f(giv)o(es)h(an)300 2568 y(alternate)c(form)f(for)h(the)g (Gaussian)h(windo)o(w.)309 2692 y(W\()p Fp(k)q Fs(\))c(=)h(exp)554 2627 y Fj(\022)597 2692 y Fi(\000)e Fl(Dk1)722 2655 y Fj(\010)754 2661 y Fs(2)p Fp(k)g Fi(\000)f Fl(Kmax)g Fi(\000)g Fl(Kmin)p 754 2681 350 2 v 806 2723 a(Kmax)f Fs(+)i Fl(Kmin)1109 2655 y Fj(\011)1136 2664 y Fk(2)1156 2627 y Fj(\023)p eop %%Page: 25 26 25 25 bop 0 100 a Fr(feffit)419 b Fg(The)16 b(XAFS)f(Equation)g(and)h (FEFFIT)e(Algorithms)419 b Fn(25)p 0 118 1950 2 v 134 245 a Fl(3)142 b Fs(Loren)o(tzian)16 b(Windo)o(w:)k(Note)15 b(that)f(W\()p Fp(k)q Fs(\))g(nev)o(er)i(go)q(es)f(to)f(zero.)308 373 y(W\()p Fp(k)q Fs(\))e(=)476 309 y Fj(\022)510 373 y Fs(1)p Fp(:)p Fs(0)d(+)h Fl(Dk1)703 337 y Fj(\010)734 343 y Fs(2)p Fp(k)h Fi(\000)g Fl(Kmax)e Fi(\000)i Fl(Kmin)p 734 363 350 2 v 786 405 a(Kmax)f Fs(+)g Fl(Kmin)1090 337 y Fj(\011)1116 346 y Fk(2)1137 309 y Fj(\023)1170 319 y Fd(\000)p Fk(1)134 516 y Fl(4)142 b Fs(P)o(arzen)15 b(Windo)o(w:)20 b(This)c(windo)o(w)f(has)g(linear)i(\\sills".)311 703 y(W\()p Fp(k)q Fs(\))11 b(=)478 569 y Fj(8)478 610 y(>)478 624 y(>)478 638 y(>)478 651 y(<)478 733 y(>)478 747 y(>)478 760 y(>)478 774 y(:)532 603 y Fp(k)g Fi(\000)f Fl(Kmin)g Fs(+)g Fl(Dk1)p Fp(=)p Fs(2)p 532 623 349 2 v 670 665 a Fl(Dk1)886 634 y Fp(;)159 b Fl(Kmin)9 b Fi(\000)i Fl(Dk1)o Fp(=)p Fs(2)h Fi(\024)h Fp(k)h(<)f Fl(Kmin)d Fs(+)g Fl(Dk1)p Fp(=)p Fs(2)526 703 y(1)p Fp(:)p Fs(0)473 b Fl(Kmin)9 b Fs(+)i Fl(Dk1)o Fp(=)p Fs(2)h Fi(\024)h Fp(k)h Fi(\024)f Fl(Kmax)d Fi(\000)g Fl(Dk2)p Fp(=)p Fs(2)526 784 y(1)p Fp(:)p Fs(0)f Fi(\000)645 753 y Fp(k)j Fi(\000)e Fl(Kmax)g Fs(+)g Fl(Dk2)p Fp(=)p Fs(2)p 645 774 V 784 815 a Fl(Dk2)1000 784 y Fp(;)45 b Fl(Kmax)9 b Fi(\000)i Fl(Dk2)o Fp(=)p Fs(2)h Fp(<)h(k)h Fi(\024)f Fl(Kmax)d Fs(+)g Fl(Dk2)p Fp(=)p Fs(2)134 915 y Fl(5)142 b Fs(W)l(elc)o(h)16 b(Windo)o(w:)k(This)c(windo)o(w)f(has)g(quadratic)h (\\sills".)317 1102 y(W\()p Fp(k)q Fs(\))11 b(=)484 968 y Fj(8)484 1009 y(>)484 1023 y(>)484 1036 y(>)484 1050 y(<)484 1132 y(>)484 1145 y(>)484 1159 y(>)484 1173 y(:)532 996 y(\010)564 1002 y Fp(k)h Fi(\000)e Fl(Kmin)g Fs(+)g Fl(Dk1)p Fp(=)p Fs(2)p 564 1022 V 703 1064 a Fl(Dk1)919 996 y Fj(\011)945 1005 y Fk(2)965 1032 y Fp(;)159 b Fl(Kmin)10 b Fi(\000)g Fl(Dk1)p Fp(=)p Fs(2)i Fi(\024)h Fp(k)h(<)f Fl(Kmin)c Fs(+)i Fl(Dk1)o Fp(=)p Fs(2)532 1102 y(1)p Fp(:)p Fs(0)546 b Fl(Kmin)10 b Fs(+)g Fl(Dk1)p Fp(=)p Fs(2)i Fi(\024)h Fp(k)h Fi(\024)f Fl(Kmax)c Fi(\000)i Fl(Dk2)o Fp(=)p Fs(2)532 1183 y(1)p Fp(:)p Fs(0)f Fi(\000)646 1146 y Fj(\010)678 1152 y Fp(k)h Fi(\000)g Fl(Kmax)e Fs(+)i Fl(Dk2)o Fp(=)p Fs(2)p 678 1173 V 817 1214 a Fl(Dk2)1032 1146 y Fj(\011)1059 1156 y Fk(2)1079 1183 y Fp(;)45 b Fl(Kmax)10 b Fi(\000)g Fl(Dk2)p Fp(=)p Fs(2)i Fp(<)h(k)h Fi(\024)f Fl(Kmax)c Fs(+)i Fl(Dk2)o Fp(=)p Fs(2)134 1314 y Fl(6)142 b Fs(Sine)16 b(Windo)o(w:)k(This)c(giv)o(es)g(a)e(half-p)q (erio)q(d)k(o)o(v)o(er)c(the)h(windo)o(w)h(range.)309 1432 y(W\()p Fp(k)q Fs(\))c(=)h(sin)540 1368 y Fj(\022)643 1402 y Fp(\031)c Fs(\()p Fl(Kmax)g Fs(+)h Fl(Dk2)g Fi(\000)h Fp(k)q Fs(\))p 579 1422 501 2 v 579 1464 a Fl(Kmax)f Fs(+)g Fl(Dk2)g Fi(\000)g Fl(Kmin)g Fs(+)g Fl(Dk1)1085 1368 y Fj(\023)134 1598 y Fl(7)142 b Fs(Gaussian)15 b(Windo)o(w:)20 b(An)c(alternate)f(v)o(ersion)g(of)g(the)g(Gaussian)h(windo)o(w.)309 1716 y(W\()p Fp(k)q Fs(\))c(=)h(exp)554 1652 y Fj(\022)597 1716 y Fi(\000)e Fl(Dk1)722 1680 y Fj(\000)743 1716 y Fp(k)g Fi(\000)f Fl(Dk2)895 1680 y Fj(\001)916 1689 y Fk(2)936 1652 y Fj(\023)0 1917 y Ff(6.4)90 b(Public)21 b(Domain)g(Soft)n(w)n(are)f(and)h(F)-5 b(urther)20 b(Reading)91 1981 y Fs(The)h(F)l(ast)g(F)l(ourier)g(T)l(ransform)f(and)h(nonlinear)i (last-squares)e(routines)g(used)h(in)g Fr(feffit)g Fs(are)f(public)0 2036 y(domain)c(soft)o(w)o(are.)22 b(The)17 b(FFT)f(routines)h(used)g (are)g(part)f(of)g Fr(fftp)m(a)o(ck)p Fs(,)h(written)g(b)o(y)f(P)o(aul) h(N.)f(Sw)o(arztraub)q(er)0 2090 y(at)i(the)i(National)f(Cen)o(ter)g (for)f(A)o(tmospheric)i(Researc)o(h.)32 b(I)19 b(c)o(hanged)h(some)e (of)h(the)g(dimension)i(statemen)o(ts)0 2145 y(in)e(these)f(routines)g (to)g(more)f(closely)i(re\015ect)g(the)f(ANSI)g(standard.)28 b(The)18 b(least-squares)g(routines)h(used)f(are)0 2199 y(part)d(of)f Fr(minp)m(a)o(ck)p Fs(,)h(written)g(b)o(y)g(B.)g(S.)g (Garb)q(o)o(w,)f(K.)h(E.)g(Hillstrom,)h(and)f(J.)g(J.)g(More.)20 b(at)14 b(Argonne)i(National)0 2254 y(Lab)h(in)g(1980.)22 b(I)17 b(c)o(hanged)g(some)f(of)g(the)g(mac)o(hine-dep)q(endent)i (parameters.)23 b(Both)16 b(of)g(these)h(pac)o(k)m(ages)f(w)o(ere)0 2308 y(tak)o(en)21 b(electronically)k(from)c(NETLIB,)h(at)f(A)l(T&T)h (Bell)i(Labs)e(in)h(Murra)o(y)e(Hill,)k(NJ)d(whic)o(h)h(has)e(a)h (large)0 2363 y(selection)f(of)e(public)i(domain)f(n)o(umerical)h(soft) o(w)o(are)d(that)g(can)i(b)q(e)g(tak)o(en)f(for)g(free)g(b)o(y)h (e-mail,)h(ftp,)f(or)f(o)o(v)o(er)0 2417 y(the)c(W)l(eb.)20 b(Send)c(the)g(e-mail)g(message)e Fl(send)24 b(index)14 b Fs(to)h Fl(netlib@research.att.com)o Fs(,)d(or)j(giv)o(e)g(Mosaic)g (the)0 2472 y(URL)h Fl(ftp://netlib.att.com/home.h)o(tml)c Fs(to)j(get)f(more)h(information.)p eop %%Page: 26 27 26 26 bop 0 100 a Fq(Appendix)24 b(A)1580 b Fn(26)p 0 118 1950 2 v 0 245 a Fm(Examples)91 452 y Fs(This)18 b(is)g(the)f(most)g(imp)q(ortan)o(t)g(part)f(of)h(this)h(do)q(cumen)o (t.)27 b(I'll)19 b(go)d(through)h(a)g(simple)i(example)g(of)d(pure)0 507 y(Cu)e(metal)g(in)g(detail,)h(whic)o(h)g(should)f(get)g(y)o(ou)f (started)g(on)h(using)g Fr(feffit)h Fs(for)e(an)o(y)h(real)g(XAFS)g (problem.)20 b(The)0 561 y(rest)15 b(of)g(the)h(do)q(cumen)o(t)g (should)h(b)q(ecome)f(m)o(uc)o(h)f(clearer)i(after)d(y)o(ou)i(start)e (using)i(the)g(program.)k(App)q(endix)e(B)0 616 y(giv)o(es)f(some)f (suggestions)g(for)g(using)h Fr(feffit)h Fs(to)e(solv)o(e)g(t)o(ypical) h(XAFS)g(problems)g(as)f(w)o(ell)i(as)e(sho)o(wing)g(some)0 671 y(of)f(the)g(more)g(sophisticated)h(things)g(that)e Fr(feffit)i Fs(can)g(b)q(e)f(used)h(for.)91 757 y(All)i(\014les)g(men)o (tioned)f(in)h(this)f(c)o(hapter)g(should)g(ha)o(v)o(e)g(b)q(een)g (included)j(in)d(y)o(our)g(distribution)h(of)e Fr(feffit)p Fs(.)0 811 y(If)f(y)o(ou)f(don't)g(ha)o(v)o(e)g(these)g(\014les,)h(con) o(tact)f(us)g(and)h(w)o(e'll)g(get)f(them)g(to)g(y)o(ou.)19 b(All)d(examples)f(use)g(the)f(ASCI)q(I)i(\014le)0 866 y(t)o(yp)q(e,)c(and)f(ha)o(v)o(e)g(b)q(een)i(renamed)e(to)g(prev)o(en)o (t)g Fr(feff)i Fs(or)d Fr(feffit)j Fs(from)d(easily)j(o)o(v)o (erwriting)e(them.)18 b(Since)13 b Fr(feffit)0 920 y Fs(requires)k(its)g(input)g(\014le)g(to)f(b)q(e)h(named)g Fo(feffit.inp)t Fs(,)f(y)o(ou'll)h(ha)o(v)o(e)f(to)g(cop)o(y)g(eac)o(h) g(of)g(the)h(\014les)g Fo(fit*.inp)k Fs(to)0 975 y Fo(feffit.inp)e Fs(to)c(do)g(these)g(example)h(\014ts.)91 1061 y(The)c(distributed)i (\014les)g(include)g Fo(atoms-cu.inp)i Fs(whic)o(h,)e(if)e(copied)i(to) e Fo(atoms.inp)t Fs(,)g(can)h(b)q(e)g(run)f(through)0 1116 y Fr(a)m(toms)p Fs(.)39 b(This)22 b(will)i(write)e(a)f Fo(feff.inp)t Fs(,)i(whic)o(h)g(can)f(b)q(e)g(run)g(though)g Fr(feff)p Fs(.)41 b(The)22 b(t)o(w)o(elv)o(e)f(distributed)0 1170 y Fo(feffcu*.dat)16 b Fs(\014les)d(should)g(b)q(e)f(equiv)m(alen)o (t)i(to)d(the)h Fo(feffnnnn.dat)k Fs(that)11 b Fr(feff)i Fs(generates.)19 b(Running)14 b Fr(a)m(toms)0 1225 y Fs(and)h Fr(feff)i Fs(and)e(examining)i(the)e(outputs)g(for)g(this)g (simple)i(example)f(is)g(recommended.)0 1383 y Ff(A.1)91 b(Pure)21 b(Cu)f(example)h(#1:)27 b(FEFFIT)19 b(without)i(\014tting)91 1470 y Fs(Belo)o(w)d(is)h Fo(fit1.inp)t Fs(,)g(whic)o(h)g(is)g(ab)q (out)f(as)g(simple)i(as)e Fr(feffit)h Fs(gets.)29 b(This)19 b(is)f(not)g(really)i(a)e(\014t)g(at)f(all,)0 1524 y(and)k(just)f(uses) h Fr(feffit)h Fs(to)e(add)g(up)i(three)e Fo(feffnnnn.dat)k Fs(\014les)e(and)f(write)g(the)f(results)h(to)f Fp(k)q Fs(-,)i Fp(R)p Fs(-,)g(and)0 1579 y(bac)o(ktransformed)17 b Fp(k)q Fs(-space,)h(applying)i(some)d(Deb)o(y)o(e-W)l(aller)i(F)l (actors,)e(and)h(using)h(an)e(o)o(v)o(erall)h Fp(S)1747 1562 y Fk(2)1744 1590 y(0)1767 1579 y Fs(.)28 b(Still,)20 b(it)0 1633 y(sho)o(ws)c(what)f(a)h(real)h Fo(feffit.inp)j Fs(\014le)d(lo)q(oks)f(lik)o(e,)i(and)e(ho)o(w)g Fr(feffit)h Fs(runs.)23 b(Although)17 b Fr(feffit)g Fs(is)g(a)f(\014tting)0 1688 y(program,)h(using)i(it)g(to)e(add)h(up)h Fr(feff)g Fs(\014les)h(without)e(doing)g(an)o(y)g(\014tting)g(is)h(useful,)h(and) e(is)h(a)e(go)q(o)q(d)h(w)o(a)o(y)g(to)0 1742 y(start)c(an)o(y)h (analysis.)21 b(It)15 b(is)h(more)f(p)q(o)o(w)o(erful)h(than)f(using)h Fr(feff)h Fs(itself)f(for)f(adding)h(up)f Fo(feffnnnn.dat)k Fs(\014les)e(to)0 1797 y(get)e(a)g(theoretical)h(XAFS)f(signal,)g(and)h (can)f(do)g(F)l(ourier)h(T)l(ransforms)e(to)q(o.)156 1936 y Fc(title)21 b(=)g(Example)f(#1:)h(Cu)h(at)f(10K)g(&)h(the)f(1st) g(3)g(paths)g(from)g(feff)f(!!)i(NO)f(FIT)g(!!)156 1990 y(title)g(=)g(Setting)42 b(S02)21 b(=)h(0.90)f(,)g(Using)g(correlated)e (Debye)i(Model)113 2045 y(\045)156 2099 y(data)65 b(=)21 b(cutest.dat)368 b(\045)43 b(input)21 b(data)f(file)h(name)156 2154 y(out)87 b(=)21 b(cu1.dat)434 b(\045)43 b(output)20 b(file)h(name)113 2208 y(\045)43 b(fit)21 b(R-range)f(and)h(FFT)g (parameters:)156 2263 y(rmin)65 b(=)21 b(1.75)64 b(rmax)87 b(=)21 b(3.25)156 2317 y(kmin)65 b(=)21 b(2.0)86 b(kmax)h(=)21 b(19.0)64 b(dk)109 b(=)21 b(2)131 b(kweight)20 b(=)h(1)113 2372 y(\045-------------)o(----)o(----)o(-----)o(----)o(----)o(----)o (----)o(-----)o(----)o(----)o(----)o(-----)o(----)178 2427 y(set)86 b(e0)217 b(=)66 b(0.0)151 b(\045)22 b(e0)f(offset)178 2481 y(set)86 b(s02)195 b(=)66 b(0.9)151 b(\045)22 b(constant)e (amplitude)f(factor,)h(S02)178 2536 y(set)86 b(temp)173 b(=)44 b(10.)173 b(\045)22 b(temperature)178 2590 y(set)86 b(Debye_Temp)41 b(=)22 b(315.)173 b(\045)22 b(Debye)e(temperature)f (for)i(Cu)178 2645 y(set)86 b(sigm_mcm)f(=)66 b(0.00052)d(\045)22 b(McMaster)e(correction)f(from)i(feff.inp)113 2699 y(\045-------------) o(----)o(----)o(-----)o(----)o(----)o(----)o(----)o(-----)o(----)o (----)o(----)o(-----)o(----)p eop %%Page: 27 28 27 27 bop 0 100 a Fr(feffit)785 b Fg(Examples)f Fn(27)p 0 118 1950 2 v 113 312 a Fc(\045)21 b(begin)g(path)g(parameter)e (lists:)i(Parameter,)41 b(Path)21 b(Index)f(,)i(character)d(string)178 366 y(Path)86 b(1)43 b(feffcu01.dat)178 421 y(Id)130 b(1)43 b(single)21 b(scattering,)e(R)i(=)h(2.552,)e(Degen=)h(12)178 475 y(e0)130 b(1)43 b(e0)178 530 y(S02)108 b(1)43 b(s02)178 584 y(sigma2)f(1)h(debye\(temp,)20 b(Debye_temp\))f(+)i(sigm_mcm)113 639 y(\045)178 693 y(Path)86 b(2)43 b(feffcu02.dat)178 748 y(Id)130 b(2)43 b(single)21 b(scattering,)e(R)i(=)h(3.609,)e (Degen=)42 b(6)178 802 y(e0)130 b(2)43 b(e0)178 857 y(S02)108 b(2)43 b(s02)178 912 y(sigma2)f(2)h(debye\(temp,)20 b(Debye_temp\))f(+) i(sigm_mcm)113 966 y(\045)178 1021 y(Path)86 b(3)43 b(feffcu03.dat)178 1075 y(Id)130 b(3)43 b(double)21 b(scattering,)e(R)i(=)h(3.828,)e (Degen=)h(48)178 1130 y(e0)130 b(3)43 b(e0)178 1184 y(S02)108 b(3)43 b(s02)178 1239 y(sigma2)f(3)h(debye\(temp,)20 b(Debye_temp\))f(+)i(sigm_mcm)113 1293 y (\045\045\045\045\045\045\045\045\045\045\045\045\045\045)o (\045\045\045\045)o(\045\045\045\045)o(\045\045\045\045)40 b(end)j(of)21 b(FIT1.INP)42 b (\045\045\045\045\045\045\045\045\045\045\045\045\045\045)o (\045\045\045\045\045)o(\045\045\045\045)o(\045\045\045)91 1390 y Fs(Three)18 b(paths)g(from)f Fr(feff)i Fs(are)f(added)g (together)f(in)i(this)f(\\n)o(ull")h(\014t,)f(with)h(eac)o(h)f(path)f (b)q(eing)j(mo)q(di\014ed)0 1444 y(b)o(y)d(the)f(P)o(ath)g(P)o (arameters)f Fl(S02)h Fs(and)h Fl(sigma2)p Fs(.)23 b(V)l(alues)18 b(of)e Fl(sigma2)g Fs(are)g(found)h(for)f(eac)o(h)h(path)f(b)o(y)h (using)g(the)0 1499 y(Correlated)f(Deb)o(y)o(e)h(Mo)q(del)g(\(see)g(c)o (hapter)f(4\))g(and)h(the)g(\\McMaster)e(correction")h(as)g(calculated) i(b)o(y)f Fr(a)m(toms)p Fs(.)0 1553 y(A)o(t)e(the)i(b)q(ottom)e(of)g (the)i Fo(feffit.log)i Fs(\014le)e(generated)f(b)o(y)g Fr(feffit)h Fs(\()p Fo(fit1.log)j Fs(in)d(the)f(distribution\),)h(y)o (ou'll)0 1608 y(\014nd)k(that)g(the)f(n)o(umerical)i(v)m(alues)g(for)e Fl(sigma2)g Fs(are)h(di\013eren)o(t)g(for)f(the)h(di\013eren)o(t)g (paths)f(ev)o(en)h(though)g(the)0 1662 y(same)15 b(Math)g(Expression)h (is)f(used.)21 b(The)16 b(Deb)o(y)o(e)f(function)h(uses)g(the)f(p)q (ositions)h(and)g(masses)f(of)g(the)g(atoms)f(in)0 1717 y(the)19 b(path)f(as)g(w)o(ell)i(as)e(the)g(temp)q(erature)h(and)f(Deb) o(y)o(e)h(temp)q(erature)f(to)g(giv)o(e)h Fp(\033)1427 1700 y Fk(2)1447 1717 y Fs(.)29 b(The)19 b(v)m(alue)h(used)f(for)f(the) 0 1771 y(McMaster)e(correction)i(here)g(is)g(tak)o(en)f(directly)i (from)d(the)i(top)f(of)g(the)h Fo(feff.inp)j Fs(written)d(b)o(y)f Fr(a)m(toms)p Fs(.)26 b(As)0 1826 y(further)13 b(discussed)j(in)e(b)q (oth)g(the)g Fr(a)m(toms)f Fs(and)g Fr(a)o(utobk)h Fs(do)q(cumen)o(ts,) g(this)g(addition)g(to)f Fl(sigma2)g Fs(accoun)o(ts)h(for)0 1881 y(the)k(exp)q(ected)i(deca)o(y)e(of)g(the)h(bac)o(kground)f (absorption)g(co)q(e\016cien)o(t)i Fp(\026)1259 1888 y Fk(0)1280 1881 y Fs(\()p Fp(E)s Fs(\))c(that)i(w)o(as)g(not)g (included)j(in)e(the)0 1935 y Fr(a)o(utobk)12 b Fs(bac)o(kground)g (remo)o(v)m(al.)18 b(Since)c Fr(a)o(utobk)e Fs(normalizes)h Fp(\037)p Fs(\()p Fp(k)q Fs(\))e(b)o(y)h(a)g(single)h(n)o(um)o(b)q(er,) g(not)f(b)o(y)f(a)h(function)0 1990 y(that)f(decreases)g(sligh)o(tly)i (with)e(energy)h(\(as)e Fp(\026)781 1997 y Fk(0)802 1990 y Fs(\()p Fp(E)s Fs(\))g(do)q(es\),)i(the)f(resulting)h Fp(\037)p Fs(\()p Fp(k)q Fs(\))f(for)g(the)g(data)g(decreases)h(sligh)o (tly)0 2044 y(more)j(rapidly)h(than)f(it)h(should,)g(and)f(so)g(the)g (theoretical)h Fp(\037)p Fs(\()p Fp(k)q Fs(\))f(should)h(also)f(b)q(e)h (made)f(to)g(decrease.)91 2108 y(There)21 b(are)g(\014v)o(e)g (User-De\014ned)h(F)l(unctions)g(\()p Fl(e0)p Fs(,)f Fl(S02)p Fs(,)h Fl(temp)p Fs(,)f Fl(Debye)p 1350 2108 15 2 v 17 w(temp)p Fs(,)g(and)g Fl(sigm)p 1687 2108 V 17 w(mcm)p Fs(\))f(though)0 2162 y(in)i(this)f(simple)i(example,)g (they)e(are)f(all)i(set)f(to)f(constan)o(ts.)37 b(It)21 b(do)q(es)g(not)g(matter)f(that)g(there)h(are)g(User-)0 2217 y(De\014ned)16 b(functions)f(\()p Fl(e0)f Fs(and)h Fl(S02)p Fs(\))g(whic)o(h)g(are)g(also)g(names)f(of)h(P)o(ath)f(P)o (arameters.)k(The)d(syn)o(tax)f(of)h(the)g(P)o(ath)0 2271 y(P)o(arameter)h(statemen)o(ts)h(means)g(that)g(they)h(will)i(nev) o(er)d(b)q(e)i(confused.)28 b(The)18 b(third)g(thing)g(to)f(notice)h (is)h(that)0 2326 y(all)e(paths)f(ha)o(v)o(e)f(the)h(same)g(Math)f (Expression)h(for)g(P)o(ath)f(P)o(arameters)f Fl(e0)p Fs(,)i Fl(S02)f Fs(and)h Fl(sigma2)p Fs(,)f(making)h(them)0 2381 y(excellen)o(t)g(candidates)g(for)e(the)h(\\0th")f(path.)20 b(The)15 b(p)q(ortion)g(of)f Fo(fit1.inp)19 b Fs(describing)d(the)f(P)o (ath)f(P)o(arameters)0 2435 y(could)i(ha)o(v)o(e)f(b)q(een)h(written)g (as)178 2498 y Fc(e0)130 b(0)43 b(e0)178 2552 y(S02)108 b(0)43 b(s02)178 2607 y(sigma2)f(0)h(debye\(temp,)20 b(Debye_temp\))f(+)i(sigm_mcm)113 2661 y(\045)178 2716 y(Path)86 b(1)43 b(feffcu01.dat)178 2770 y(Path)86 b(2)43 b(feffcu02.dat)178 2825 y(Path)86 b(3)43 b(feffcu03.dat)p eop %%Page: 28 29 28 28 bop 0 100 a Fr(feffit)785 b Fg(Examples)f Fn(28)p 0 118 1950 2 v 15 245 a Fs(whic)o(h)16 b(is)g(a)f(more)g(economical)h (and)f(fo)q(ol-pro)q(of)g(w)o(a)o(y)g(of)f(writing)i(the)f(same)g (information.)0 335 y Ff(A.2)91 b(Pure)21 b(Cu)f(example)h(revisited:) 28 b(FEFFIT)19 b(with)i(\014tting)91 398 y Fs(No)o(w)14 b(let's)g(add)g(some)g(v)m(ariables)i(to)e(the)g(Cu)g(example)i(and)e (do)g(a)g(real)h(\014t.)k(The)c(\014le)g Fo(fit2.inp)k Fs(is)c(prett)o(y)0 453 y(similar)j(to)f Fo(fit1.inp)t Fs(.)26 b(The)18 b(imp)q(ortan)o(t)f(di\013erences)h(are)f(the)g (inclusion)j(of)d(sev)o(eral)h(more)e(paths)h(\(12)g(no)o(w,)0 507 y(not)g(just)g(3\))g(and)h(that)e(some)i(of)f(the)g(User-De\014ned) i(F)l(unctions)f(ha)o(v)o(e)f(b)q(een)i(c)o(hanged)e(to)g(v)m(ariables) i(\(simply)0 562 y(b)o(y)c(c)o(hanging)h Fl(set)g Fs(to)e Fl(guess)p Fs(!\),)g(so)h(that)g Fo(fit2.inp)20 b Fs(will)d(do)e(a)h (\014t.)k(There's)c(also)f(an)h(additional)h(v)m(ariable)g(to)0 616 y(giv)o(e)e(a)g(c)o(hange)h(in)g(near-neigh)o(b)q(or)g(distance.)k (Here)c(is)g(most)e(of)h Fo(fit2.inp)t Fs(:)113 706 y Fc(\045\045\045\045\045\045\045\045\045\045\045\045\045\045)o (\045\045\045\045)o(\045\045\045\045)o(\045\045\045\045)j(Start)j(of)g (FIT2.INP)42 b (\045\045\045\045\045\045\045\045\045\045\045\045\045\045)o (\045\045\045\045\045)o(\045\045\045\045)o(\045\045\045)113 761 y(title)20 b(=)i(Example)e(#2:)h(Cu)g(at)h(10K)f(&)g(the)g(1st)g(3) h(paths)e(from)h(FEFF5)113 815 y(title)f(=)i(Fitting)e(energy0,)g(S02,) h(deltaR_1,)e(and)i(Debye)g(Temperature)113 870 y(title)f(=)i(set)f (temp)g(=10)g(Kelvin,)42 b(using)20 b(correlated)g(Debye)g(Model)113 924 y(\045)113 979 y(data)64 b(=)22 b(cutest.dat)367 b(\045)43 b(input)21 b(data)g(file)g(name)113 1033 y(out)86 b(=)22 b(cu2.dat)433 b(\045)43 b(output)21 b(file)g(name)113 1088 y(\045)43 b(fit)21 b(R-range)f(and)h(FFT)g(parameters:)156 1142 y(rmin)65 b(=)21 b(1.75)64 b(rmax)87 b(=)21 b(3.25)156 1197 y(kmin)65 b(=)21 b(2.0)86 b(kmax)h(=)21 b(19.0)64 b(dk)109 b(=)21 b(2)131 b(kweight)20 b(=)h(1)113 1251 y(\045-------------)o(----)o(----)o(-----)o(----)o(----)o(----)o(----)o (-----)o(----)o(----)o(----)o(-----)o(----)178 1306 y(guess)42 b(e0)217 b(=)66 b(0.0)151 b(\045)22 b(e0)f(offset)178 1361 y(guess)42 b(deltaR_1)85 b(=)66 b(0.0)151 b(\045)22 b(change)e(in)h(near-neighbor)e(distance)178 1415 y(set)86 b(R_nn1)151 b(=)66 b(2.5478)85 b(\045)22 b(1st)f(neighbor)f(distance) 178 1470 y(guess)42 b(s02)195 b(=)66 b(0.9)151 b(\045)22 b(constant)e(amplitude)f(factor,)h(S02)178 1524 y(set)86 b(Temp)173 b(=)44 b(10.)173 b(\045)22 b(temperature)178 1579 y(guess)42 b(Debye_Temp)f(=)22 b(315.)173 b(\045)22 b(Debye)e(temperature)f(for)i(Cu)178 1633 y(set)86 b(sigm_mcm)f(=)66 b(0.00052)d(\045)22 b(McMaster)e(correction)f(from)i(feff.inp)113 1688 y(\045-------------)o(----)o(----)o(-----)o(----)o(----)o(----)o (----)o(-----)o(----)o(----)o(----)o(-----)o(----)o(--)113 1742 y(\045)g(begin)g(path)g(parameter)e(lists:)i(Parameter,)41 b(Path)21 b(Index)f(,)i(character)d(string)178 1797 y(e0)130 b(0)43 b(e0)178 1851 y(delR)86 b(0)43 b(deltaR_1)20 b(*)44 b(\()21 b(reff)g(/)g(R_nn1)g(\))178 1906 y(S02)108 b(0)43 b(s02)178 1961 y(sigma2)f(0)h(debye\(temp,)20 b(Debye_temp\))f(+)i (sigm_mcm)113 2015 y(\045)178 2070 y(Path)86 b(1)43 b(feffcu01.dat)113 2124 y(\045)178 2179 y(Path)86 b(2)43 b(feffcu02.dat)113 2233 y(\045)178 2288 y(Path)86 b(3)43 b(feffcu03.dat)113 2342 y(\045)178 2397 y(Path)86 b(4)43 b(feffcu04.dat)113 2451 y(\045)113 2506 y(\045)152 b(It)21 b(goes)g(on)g(like)g(this)g(up) g(to)g(path)g(12)113 2561 y (\045\045\045\045\045\045\045\045\045\045\045\045\045\045)o (\045\045\045\045)o(\045\045\045\045)o(\045\045\045\045)40 b(end)j(of)21 b(FIT2.INP)42 b (\045\045\045\045\045\045\045\045\045\045\045\045\045\045)o (\045\045\045\045\045)o(\045\045\045\045)o(\045\045\045)16 2661 y Fs(This)16 b(is)g(a)g(reasonably)g(go)q(o)q(d)g(template)g(to)f (b)q(egin)i(an)o(y)e(XAFS)h(analysis.)23 b(The)16 b(imp)q(ortan)o(t)f (things)h(to)f(notice)0 2716 y(ab)q(out)f(the)h(mo)q(deling)h(for)e (XAFS)h(data)f(are)g(the)h(use)g(of)f(the)h(\\0th")e(path,)i Fl(reff)p Fs(,)e(and)i(the)g(Correlated)f(Deb)o(y)o(e)0 2770 y(Mo)q(del.)27 b(F)l(urther)17 b(suggestions)g(for)f(mo)q(deling)j (XAFS)e(data)g(are)g(discussed)i(in)f(app)q(endix)h(B.)e(I)g(also)h (suggest)0 2825 y(assigning)11 b(ev)o(ery)g(n)o(um)o(b)q(er)g(with)g (\\)p Fl(set)p Fs(")e(rather)h(than)h(just)f(writing)h(the)g(n)o(um)o (b)q(ers)g(in)g(wherev)o(er)g(they're)f(needed,)p eop %%Page: 29 30 29 29 bop 0 100 a Fr(feffit)785 b Fg(Examples)f Fn(29)p 0 118 1950 2 v 0 1350 a @beginspecial 90 @llx 288 @lly 450 @urx 540 @ury 3600 @rwi @setspecial %%BeginDocument: fit.ps %DVIPSCommandLine: dvips -E PSLaTeX2EPSF -o gp-1st.ps %DVIPSParameters: dpi=300, compressed, comments removed %DVIPSSource: TeX output 1995.04.26:1844 /TeXDict 250 dict def TeXDict begin /N{def}def /B{bind def}N /S{exch}N /X{S N}B /TR{translate}N /isls false N /vsize 11 72 mul N /hsize 8.5 72 mul N /landplus90{false}def /@rigin{isls{[0 landplus90{1 -1}{-1 1} ifelse 0 0 0]concat}if 72 Resolution div 72 VResolution div neg scale isls{landplus90{VResolution 72 div vsize mul 0 exch}{Resolution -72 div hsize mul 0}ifelse TR}if Resolution VResolution vsize -72 div 1 add mul TR matrix currentmatrix dup dup 4 get round 4 exch put dup dup 5 get round 5 exch put setmatrix}N /@landscape{/isls true N}B /@manualfeed{ statusdict /manualfeed true put}B /@copies{/#copies X}B /FMat[1 0 0 -1 0 0]N /FBB[0 0 0 0]N /nn 0 N /IE 0 N /ctr 0 N /df-tail{/nn 8 dict N nn begin /FontType 3 N /FontMatrix fntrx N /FontBBox FBB N string /base X array /BitMaps X /BuildChar{CharBuilder}N /Encoding IE N end dup{/foo setfont}2 array copy cvx N load 0 nn put /ctr 0 N[}B /df{/sf 1 N /fntrx FMat N df-tail}B /dfs{div /sf X /fntrx[sf 0 0 sf neg 0 0]N df-tail}B /E{ pop nn dup definefont setfont}B /ch-width{ch-data dup length 5 sub get} B /ch-height{ch-data dup length 4 sub get}B /ch-xoff{128 ch-data dup length 3 sub get sub}B /ch-yoff{ch-data dup length 2 sub get 127 sub}B /ch-dx{ch-data dup length 1 sub get}B /ch-image{ch-data dup type /stringtype ne{ctr get /ctr ctr 1 add N}if}B /id 0 N /rw 0 N /rc 0 N /gp 0 N /cp 0 N /G 0 N /sf 0 N /CharBuilder{save 3 1 roll S dup /base get 2 index get S /BitMaps get S get /ch-data X pop /ctr 0 N ch-dx 0 ch-xoff ch-yoff ch-height sub ch-xoff ch-width add ch-yoff setcachedevice ch-width ch-height true[1 0 0 -1 -.1 ch-xoff sub ch-yoff .1 add]/id ch-image N /rw ch-width 7 add 8 idiv string N /rc 0 N /gp 0 N /cp 0 N{ rc 0 ne{rc 1 sub /rc X rw}{G}ifelse}imagemask restore}B /G{{id gp get /gp gp 1 add N dup 18 mod S 18 idiv pl S get exec}loop}B /adv{cp add /cp X}B /chg{rw cp id gp 4 index getinterval putinterval dup gp add /gp X adv}B /nd{/cp 0 N rw exit}B /lsh{rw cp 2 copy get dup 0 eq{pop 1}{dup 255 eq{pop 254}{dup dup add 255 and S 1 and or}ifelse}ifelse put 1 adv} B /rsh{rw cp 2 copy get dup 0 eq{pop 128}{dup 255 eq{pop 127}{dup 2 idiv S 128 and or}ifelse}ifelse put 1 adv}B /clr{rw cp 2 index string putinterval adv}B /set{rw cp fillstr 0 4 index getinterval putinterval adv}B /fillstr 18 string 0 1 17{2 copy 255 put pop}for N /pl[{adv 1 chg} {adv 1 chg nd}{1 add chg}{1 add chg nd}{adv lsh}{adv lsh nd}{adv rsh}{ adv rsh nd}{1 add adv}{/rc X nd}{1 add set}{1 add clr}{adv 2 chg}{adv 2 chg nd}{pop nd}]dup{bind pop}forall N /D{/cc X dup type /stringtype ne{] }if nn /base get cc ctr put nn /BitMaps get S ctr S sf 1 ne{dup dup length 1 sub dup 2 index S get sf div put}if put /ctr ctr 1 add N}B /I{ cc 1 add D}B /bop{userdict /bop-hook known{bop-hook}if /SI save N @rigin 0 0 moveto /V matrix currentmatrix dup 1 get dup mul exch 0 get dup mul add .99 lt{/QV}{/RV}ifelse load def pop pop}N /eop{SI restore showpage userdict /eop-hook known{eop-hook}if}N /@start{userdict /start-hook known{start-hook}if pop /VResolution X /Resolution X 1000 div /DVImag X /IE 256 array N 0 1 255{IE S 1 string dup 0 3 index put cvn put}for 65781.76 div /vsize X 65781.76 div /hsize X}N /p{show}N /RMat[1 0 0 -1 0 0]N /BDot 260 string N /rulex 0 N /ruley 0 N /v{/ruley X /rulex X V}B /V {}B /RV statusdict begin /product where{pop product dup length 7 ge{0 7 getinterval dup(Display)eq exch 0 4 getinterval(NeXT)eq or}{pop false} ifelse}{false}ifelse end{{gsave TR -.1 -.1 TR 1 1 scale rulex ruley false RMat{BDot}imagemask grestore}}{{gsave TR -.1 -.1 TR rulex ruley scale 1 1 false RMat{BDot}imagemask grestore}}ifelse B /QV{gsave transform round exch round exch itransform moveto rulex 0 rlineto 0 ruley neg rlineto rulex neg 0 rlineto fill grestore}B /a{moveto}B /delta 0 N /tail{dup /delta X 0 rmoveto}B /M{S p delta add tail}B /b{S p tail} B /c{-4 M}B /d{-3 M}B /e{-2 M}B /f{-1 M}B /g{0 M}B /h{1 M}B /i{2 M}B /j{ 3 M}B /k{4 M}B /w{0 rmoveto}B /l{p -4 w}B /m{p -3 w}B /n{p -2 w}B /o{p -1 w}B /q{p 1 w}B /r{p 2 w}B /s{p 3 w}B /t{p 4 w}B /x{0 S rmoveto}B /y{ 3 2 roll p a}B /bos{/SS save N}B /eos{SS restore}B end TeXDict begin /SDict 200 dict N SDict begin /@SpecialDefaults{/hs 612 N /vs 792 N /ho 0 N /vo 0 N /hsc 1 N /vsc 1 N /ang 0 N /CLIP 0 N /rwiSeen false N /rhiSeen false N /letter{}N /note{}N /a4{}N /legal{}N}B /@scaleunit 100 N /@hscale{@scaleunit div /hsc X}B /@vscale{@scaleunit div /vsc X}B /@hsize{/hs X /CLIP 1 N}B /@vsize{/vs X /CLIP 1 N}B /@clip{ /CLIP 2 N}B /@hoffset{/ho X}B /@voffset{/vo X}B /@angle{/ang X}B /@rwi{ 10 div /rwi X /rwiSeen true N}B /@rhi{10 div /rhi X /rhiSeen true N}B /@llx{/llx X}B /@lly{/lly X}B /@urx{/urx X}B /@ury{/ury X}B /magscale true def end /@MacSetUp{userdict /md known{userdict /md get type /dicttype eq{userdict begin md length 10 add md maxlength ge{/md md dup length 20 add dict copy def}if end md begin /letter{}N /note{}N /legal{} N /od{txpose 1 0 mtx defaultmatrix dtransform S atan/pa X newpath clippath mark{transform{itransform moveto}}{transform{itransform lineto} }{6 -2 roll transform 6 -2 roll transform 6 -2 roll transform{ itransform 6 2 roll itransform 6 2 roll itransform 6 2 roll curveto}}{{ closepath}}pathforall newpath counttomark array astore /gc xdf pop ct 39 0 put 10 fz 0 fs 2 F/|______Courier fnt invertflag{PaintBlack}if}N /txpose{pxs pys scale ppr aload pop por{noflips{pop S neg S TR pop 1 -1 scale}if xflip yflip and{pop S neg S TR 180 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{pop S neg S TR pop 180 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{ppr 1 get neg ppr 0 get neg TR}if}{noflips{TR pop pop 270 rotate 1 -1 scale}if xflip yflip and{TR pop pop 90 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{TR pop pop 90 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{TR pop pop 270 rotate ppr 2 get ppr 0 get neg sub neg 0 S TR}if}ifelse scaleby96{ppr aload pop 4 -1 roll add 2 div 3 1 roll add 2 div 2 copy TR .96 dup scale neg S neg S TR}if}N /cp {pop pop showpage pm restore}N end}if}if}N /normalscale{Resolution 72 div VResolution 72 div neg scale magscale{DVImag dup scale}if 0 setgray} N /psfts{S 65781.76 div N}N /startTexFig{/psf$SavedState save N userdict maxlength dict begin /magscale false def normalscale currentpoint TR /psf$ury psfts /psf$urx psfts /psf$lly psfts /psf$llx psfts /psf$y psfts /psf$x psfts currentpoint /psf$cy X /psf$cx X /psf$sx psf$x psf$urx psf$llx sub div N /psf$sy psf$y psf$ury psf$lly sub div N psf$sx psf$sy scale psf$cx psf$sx div psf$llx sub psf$cy psf$sy div psf$ury sub TR /showpage{}N /erasepage{}N /copypage{}N /p 3 def @MacSetUp}N /doclip{ psf$llx psf$lly psf$urx psf$ury currentpoint 6 2 roll newpath 4 copy 4 2 roll moveto 6 -1 roll S lineto S lineto S lineto closepath clip newpath moveto}N /endTexFig{end psf$SavedState restore}N /@beginspecial{SDict begin /SpecialSave save N gsave normalscale currentpoint TR @SpecialDefaults count /ocount X /dcount countdictstack N}N /@setspecial {CLIP 1 eq{newpath 0 0 moveto hs 0 rlineto 0 vs rlineto hs neg 0 rlineto closepath clip}if ho vo TR hsc vsc scale ang rotate rwiSeen{rwi urx llx sub div rhiSeen{rhi ury lly sub div}{dup}ifelse scale llx neg lly neg TR }{rhiSeen{rhi ury lly sub div dup scale llx neg lly neg TR}if}ifelse CLIP 2 eq{newpath llx lly moveto urx lly lineto urx ury lineto llx ury lineto closepath clip}if /showpage{}N /erasepage{}N /copypage{}N newpath }N /@endspecial{count ocount sub{pop}repeat countdictstack dcount sub{ end}repeat grestore SpecialSave restore end}N /@defspecial{SDict begin} N /@fedspecial{end}B /li{lineto}B /rl{rlineto}B /rc{rcurveto}B /np{ /SaveX currentpoint /SaveY X N 1 setlinecap newpath}N /st{stroke SaveX SaveY moveto}N /fil{fill SaveX SaveY moveto}N /ellipse{/endangle X /startangle X /yrad X /xrad X /savematrix matrix currentmatrix N TR xrad yrad scale 0 0 1 startangle endangle arc savematrix setmatrix}N end TeXDict begin @defspecial /gnudict 40 dict def gnudict begin /Color false def /Solid false def /gnulinewidth 5.000 def /vshift -33 def /dl {10 mul} def /hpt 31.5 def /vpt 31.5 def /M {moveto} bind def /L {lineto} bind def /R {rmoveto} bind def /V {rlineto} bind def /vpt2 vpt 2 mul def /hpt2 hpt 2 mul def /Lshow { currentpoint stroke M 0 vshift R show } def /Rshow { currentpoint stroke M dup stringwidth pop neg vshift R show } def /Cshow { currentpoint stroke M dup stringwidth pop -2 div vshift R show } def /DL { Color {setrgbcolor Solid {pop []} if 0 setdash } {pop pop pop Solid {pop []} if 0 setdash} ifelse } def /BL { stroke gnulinewidth 2 mul setlinewidth } def /AL { stroke gnulinewidth 2 div setlinewidth } def /PL { stroke gnulinewidth setlinewidth } def /LTb { BL [] 0 0 0 DL } def /LTa { AL [1 dl 2 dl] 0 setdash 0 0 0 setrgbcolor } def /LT0 { PL [] 0 1 0 DL } def /LT1 { PL [4 dl 2 dl] 0 0 1 DL } def /LT2 { PL [2 dl 3 dl] 1 0 0 DL } def /LT3 { PL [1 dl 1.5 dl] 1 0 1 DL } def /LT4 { PL [5 dl 2 dl 1 dl 2 dl] 0 1 1 DL } def /LT5 { PL [4 dl 3 dl 1 dl 3 dl] 1 1 0 DL } def /LT6 { PL [2 dl 2 dl 2 dl 4 dl] 0 0 0 DL } def /LT7 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 1 0.3 0 DL } def /LT8 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 0.5 0.5 0.5 DL } def /P { stroke [] 0 setdash currentlinewidth 2 div sub M 0 currentlinewidth V stroke } def /D { stroke [] 0 setdash 2 copy vpt add M hpt neg vpt neg V hpt vpt neg V hpt vpt V hpt neg vpt V closepath stroke P } def /A { stroke [] 0 setdash vpt sub M 0 vpt2 V currentpoint stroke M hpt neg vpt neg R hpt2 0 V stroke } def /B { stroke [] 0 setdash 2 copy exch hpt sub exch vpt add M 0 vpt2 neg V hpt2 0 V 0 vpt2 V hpt2 neg 0 V closepath stroke P } def /C { stroke [] 0 setdash exch hpt sub exch vpt add M hpt2 vpt2 neg V currentpoint stroke M hpt2 neg 0 R hpt2 vpt2 V stroke } def /T { stroke [] 0 setdash 2 copy vpt 1.12 mul add M hpt neg vpt -1.62 mul V hpt 2 mul 0 V hpt neg vpt 1.62 mul V closepath stroke P } def /S { 2 copy A C} def end @fedspecial end TeXDict begin 40258437 52099154 1000 300 300 (PSLaTeX2EPSF.dvi) @start /Fa 1 52 df51 D E /Fb 1 1 df0 D E /Fc 19 127 df<121EEA61801240EA8040 A3EA40801261EA1E000A0973A325>23 D<132013401380EA01005A12061204120CA25AA2 5AA312701260A312E0AE1260A312701230A37EA27EA2120412067E7EEA0080134013200B 327CA413>40 D<7E12407E7E12187E12041206A27EA2EA0180A313C01200A313E0AE13C0 A312011380A3EA0300A21206A21204120C5A12105A5A5A0B327DA413>I48 D<13801203120F12F31203B3A9EA07C0EAFFFE 0F217CA018>III<1302 1306130EA2131EA2132E134EA2138EA2EA010E1202A21204A212081210A21220A2124012 80B512F838000E00A7131F3801FFF015217FA018>I<00101380381E0700EA1FFF5B13F8 EA13E00010C7FCA613F8EA130EEA1407381803801210380001C0A214E0A4127012F0A200 E013C01280EA4003148038200700EA1006EA0C1CEA03F013227EA018>I<137EEA01C138 030080380601C0EA0E03121C381801800038C7FCA212781270A2EAF0F8EAF30CEAF4067F 00F81380EB01C012F014E0A51270A3003813C0A238180380001C1300EA0C06EA070CEA01 F013227EA018>I<12401260387FFFE014C0A23840008038C0010012801302A2485A5BA2 5B133013201360A313E05BA21201A41203A86C5A13237DA118>III<497EA3497EA3EB05E0A2EB0DF01308A249 7E1478A2497EA3497EA3497EA290B5FC3901000780A24814C000021303A24814E01401A2 000CEB00F0A2003EEB01F839FF800FFF20237EA225>65 D73 D<12FEA212C0B3B3A912FEA207317BA40E>91 D<12FEA21206B3B3A912FEA207317FA40E>93 D<390E1FC07F3AFE60E183803A1E807201 C03A0F003C00E0A2000E1338AF3AFFE3FF8FFE27157F942A>109 D126 D E /Fd 2 83 df<000F1420D811C013407F000014809038F00100EB7002EB7804EB38085C133CEB 1C205CEB1E806DC7FC130E130F7F5B1317EB278013431383380103C0EA020180EA04005A 487F48EB708048EB390048131E1B1F7F941F>31 D<90B512C090380F0078151C81011E13 0F811680A249EB0F00A3151E495B5D15E0EC0380D9FFFCC7FCEBF0076E7E8148486C7EA4 4848485AA44848485A1680A29138038100120F39FFF801C6C8127821237DA125>82 D E end TeXDict begin 1 0 bop 164 1824 a @beginspecial @setspecial gnudict begin gsave 50 50 translate 0.100 0.100 scale 0 setgray /Helvetica findfont 100 scalefont setfont newpath -500.000000 -500.000000 translate LTa 600 251 M 2817 0 V 600 251 M 0 1858 V LTb 600 251 M 63 0 V 2754 0 R -63 0 V 600 457 M 63 0 V 2754 0 R -63 0 V 600 664 M 63 0 V 2754 0 R -63 0 V 600 870 M 63 0 V 2754 0 R -63 0 V 600 1077 M 63 0 V 2754 0 R -63 0 V 600 1283 M 63 0 V 2754 0 R -63 0 V 600 1490 M 63 0 V 2754 0 R -63 0 V 600 1696 M 63 0 V 2754 0 R -63 0 V 600 1903 M 63 0 V 2754 0 R -63 0 V 600 2109 M 63 0 V 2754 0 R -63 0 V 600 251 M 0 63 V 0 1795 R 0 -63 V 1163 251 M 0 63 V 0 1795 R 0 -63 V 1727 251 M 0 63 V 0 1795 R 0 -63 V 2290 251 M 0 63 V 0 1795 R 0 -63 V 2854 251 M 0 63 V 0 1795 R 0 -63 V 3417 251 M 0 63 V 0 1795 R 0 -63 V 600 251 M 2817 0 V 0 1858 V -2817 0 V 600 251 L LT0 LT2 600 260 M 17 0 V 18 1 V 17 0 V 17 -2 V 17 -2 V 18 0 V 17 3 V 17 4 V 18 1 V 17 -1 V 17 -4 V 17 -4 V 18 4 V 17 6 V 17 5 V 18 0 V 17 -4 V 17 -8 V 17 -4 V 18 11 V 17 10 V 17 5 V 18 0 V 17 -6 V 17 -8 V 17 -4 V 18 6 V 17 7 V 17 2 V 18 -2 V 17 -5 V 17 1 V 17 9 V 18 9 V 17 4 V 17 -3 V 18 -9 V 17 -9 V 17 4 V 17 15 V 18 14 V 17 8 V 17 3 V 18 -1 V 17 2 V 17 8 V 17 12 V 18 12 V 17 6 V 17 2 V 18 -1 V 17 1 V 17 10 V 17 17 V 18 20 V 17 19 V 17 15 V 18 14 V 17 22 V 17 38 V 17 56 V 18 70 V 17 79 V 17 84 V 18 93 V 17 106 V 17 128 V 17 153 V 18 173 V 17 179 V 17 166 V 18 133 V 17 81 V 17 16 V 17 -53 V 18 -121 V 17 -178 V 17 -219 V 18 -239 V 17 -236 V 17 -212 V 17 -170 V 18 -111 V 17 -46 V 17 -10 V 18 -5 V 17 -15 V 17 -25 V 17 -30 V 18 -30 V 17 -22 V 17 -6 V 17 8 V 18 8 V 17 2 V 17 -6 V 18 -8 V 17 2 V 17 22 V 17 30 V 18 34 V 17 33 V 17 34 V 18 37 V 17 38 V 17 38 V 17 31 V 18 21 V 17 7 V 17 -10 V 18 -26 V 17 -37 V 17 -45 V 17 -45 V 18 -40 V 17 -31 V 17 -16 V 18 -2 V 17 12 V 17 21 V 17 27 V 18 32 V 17 36 V 17 41 V 18 47 V 17 54 V 17 61 V 17 65 V 18 66 V 17 62 V 17 52 V 18 35 V 17 15 V 17 -10 V 17 -35 V 18 -59 V 17 -78 V 17 -91 V 18 -97 V 17 -90 V 17 -70 V 17 -32 V 18 10 V 17 33 V 17 39 V 18 40 V 17 43 V 17 52 V 17 63 V 18 73 V 17 75 V 17 71 V 18 56 V 17 37 V 17 13 V 17 -14 V 18 -39 V 17 -63 V 17 -80 V 18 -94 V 17 -98 V 17 -95 V 17 -77 V LT0 600 271 M 17 0 V 18 1 V 17 1 V 17 0 V 17 -1 V 18 -1 V 17 0 V 17 2 V 18 1 V 17 1 V 17 -1 V 17 0 V 18 0 V 17 1 V 17 3 V 18 2 V 17 -1 V 17 -1 V 17 0 V 18 2 V 17 5 V 17 3 V 18 1 V 17 -2 V 17 -1 V 17 3 V 18 6 V 17 5 V 17 3 V 18 -1 V 17 -1 V 17 2 V 17 6 V 18 5 V 17 3 V 17 -2 V 18 -4 V 17 -1 V 17 5 V 17 9 V 18 6 V 17 2 V 17 -3 V 18 -1 V 17 5 V 17 12 V 17 11 V 18 7 V 17 0 V 17 -2 V 18 0 V 17 9 V 17 15 V 17 17 V 18 14 V 17 11 V 17 8 V 18 14 V 17 25 V 17 43 V 17 59 V 18 70 V 17 76 V 17 81 V 18 89 V 17 104 V 17 129 V 17 157 V 18 179 V 17 185 V 17 169 V 18 132 V 17 76 V 17 7 V 17 -65 V 18 -131 V 17 -184 V 17 -218 V 18 -231 V 17 -222 V 17 -196 V 17 -156 V 18 -108 V 17 -57 V 17 -22 V 18 -8 V 17 -11 V 17 -22 V 17 -29 V 18 -30 V 17 -15 V 17 6 V 17 15 V 18 8 V 17 1 V 17 0 V 18 10 V 17 24 V 17 30 V 17 30 V 18 27 V 17 24 V 17 24 V 18 26 V 17 26 V 17 23 V 17 14 V 18 2 V 17 -10 V 17 -22 V 18 -32 V 17 -38 V 17 -41 V 17 -42 V 18 -39 V 17 -34 V 17 -25 V 18 -16 V 17 -9 V 17 -6 V 17 -7 V 18 -8 V 17 -5 V 17 -1 V 18 2 V 17 0 V 17 -4 V 17 -6 V 18 -8 V 17 -4 V 17 2 V 18 3 V 17 -1 V 17 -3 V 17 -4 V 18 -1 V 17 4 V 17 2 V 18 -1 V 17 -2 V 17 -4 V 17 -1 V 18 4 V 17 2 V 17 0 V 18 -2 V 17 -2 V 17 -1 V 17 2 V 18 2 V 17 0 V 17 -1 V 18 -3 V 17 -2 V 17 1 V 17 2 V 18 1 V 17 0 V 17 -2 V 18 -2 V 17 0 V 17 1 V 17 1 V stroke grestore end showpage @endspecial 940 1860 a Fd(R)9 b Fc(\()1005 1851 y(\027)1005 1860 y(A\))256 1332 y gsave currentpoint currentpoint translate 270 rotate neg exch neg exch translate 256 1332 a 95 1320 a Fc(Im)n([)d(~)-30 b Fd(\037)o Fc(\()p Fd(R)p Fc(\)])8 b(\()313 1311 y(\027)313 1320 y(A)350 1290 y Fb(\000)p Fa(3)397 1320 y Fc(\))256 1332 y currentpoint grestore moveto 256 1332 a 1575 1777 a Fc(5)-258 b(4)f(3)g(2)g(1)h(0)365 961 y(9)365 1047 y(8)365 1133 y(7)365 1219 y(6)365 1305 y(5)365 1391 y(4)365 1478 y(3)365 1563 y(2)365 1650 y(1)365 1735 y(0)p eop end userdict /end-hook known{end-hook}if %%EndDocument @endspecial 225 1497 a Fs(Figure)21 b(A.1)67 b Fi(j)5 b Fs(~)-28 b Fp(\037)p Fs(\()p Fp(R)p Fs(\))p Fi(j)20 b Fs(of)g(data)h(\(dashed\))g(and)h(b)q(est-\014t)f(\(solid\))h(for)f (pure)g(Cu)h(at)225 1552 y(10)8 b(K.)29 b(Fitting)18 b(w)o(as)g(done)h(using)g Fo(fit2.inp)t Fs(,)g(o)o(v)o(er)e(an)i Fp(R)p Fs(-range)f(of)g([1)p Fp(:)p Fs(75)p Fp(;)8 b Fs(3)p Fp(:)p Fs(2)o(5])1681 1544 y(\027)1681 1552 y(A.)225 1606 y(The)15 b(results)h(of)f(this)g(\014t)g(are)g(further)g (discussed)i(in)f(the)f(text.)0 1753 y(and)20 b(not)f(using)i(an)o(y)e (n)o(um)o(b)q(ers)h(in)g(the)g(P)o(ath)f(P)o(arameter)f(section.)34 b(F)l(or)19 b(example,)i Fl(R)p 1553 1753 15 2 v 17 w(nn1)f Fs(and)f Fl(temp)h Fs(here)0 1808 y(are)d(set)h(as)f(n)o(um)o(b)q(ers)h (here)h(ev)o(en)f(though)f(they're)h(only)g(used)g(once.)28 b(This)19 b(mak)o(es)e(it)h(easier)g(to)f(c)o(hange)h(the)0 1862 y(n)o(um)o(b)q(ers.)31 b(And)19 b(ma)o(yb)q(e)f(later)h(on)g(y)o (ou'll)g(w)o(an)o(t)e(to)h(v)m(ary)h(something)g(that)f(y)o(ou)g (originally)j(though)o(t)c(had)i(a)0 1917 y(constan)o(t)14 b(v)m(alue.)91 1989 y(The)g(results)g(of)f(the)g(\014t)h(from)e Fo(fit2.inp)18 b Fs(is)c(sho)o(wn)f(in)i(Fig.)e(A.1,)g(whic)o(h)h(sho)o (ws)f(an)g(excellen)o(t)j(agreemen)o(t)0 2044 y(b)q(et)o(w)o(een)g (theory)g(and)f(data)h(o)o(v)o(er)f(the)g(\014t)h(range,)f Fp(R)f Fs(=)g([1)p Fp(:)p Fs(75)p Fp(;)8 b Fs(3)p Fp(:)p Fs(25)o(])1200 2036 y(\027)1200 2044 y(A,)13 b(and)j(ev)o(en)g (reasonable)g(agreemen)o(t)g(for)0 2098 y Fp(R)e Fs(past)g(3)p Fp(:)p Fs(25)237 2090 y(\027)237 2098 y(A,)f(ev)o(en)h(though)g(the)h (high-)p Fp(R)g Fs(part)f(of)g(the)g(sp)q(ectrum)h(is)f(not)g(b)q(eing) i(\014t.)j(If)c(y)o(ou're)f(using)h(ASCI)q(I)0 2153 y(\014les,)i(this)f (plot)g(is)g(of)g(the)g(fourth)f(columns)i(of)e Fo(cu2r.dat)20 b Fs(and)c Fo(cu2r.fit)t Fs(.)22 b(F)l(or)15 b(UWXAFS)h(\014les,)g (this)h(data)0 2207 y(is)i(held)h(in)g(records)f(with)g(nk)o(ey=1)g (and)g(2,)g(resp)q(ectiv)o(ely)l(,)i(of)e Fo(cu2.rsp)t Fs(.)31 b(Please)19 b(mak)o(e)f(sure)h(that)f(y)o(ou)h(can)0 2262 y(generate)13 b(a)g(picture)h(similar)h(to)d(Fig.)h(A.1)g(|)h(y)o (ou)f(really)h(can't)f(do)g(data)f(analysis)j(without)e(lo)q(oking)h (at)f(the)g(\014t)0 2316 y(results.)25 b(Y)l(ou)17 b(are)g(also)g (strongly)f(encouraged)h(to)f(lo)q(ok)i(at)e(the)h(con)o(tributions)g (from)f(the)h(t)o(w)o(elv)o(e)g(individual)0 2371 y(paths)f(that)g(mak) o(e)f(up)i(this)g(\014t,)f(and)g(esp)q(ecially)j(where)e(in)g Fp(R)p Fs(-space)f(the)h(di\013eren)o(t)f(paths)g(sho)o(w)g(up.)24 b(The)16 b(\014t)0 2425 y(results)g(in)g(original)g(and)f(bac)o (ktransformed)f Fp(k)q Fs(-space)i(should)g(also)g(b)q(e)f(lo)q(ok)h (at.)91 2498 y(Go)q(o)q(dness-of-\014t)i(parameters)f(for)g(this)h (\014t)g(and)g(the)g(b)q(est-\014t)g(v)m(alues)h(and)f(estimated)g (uncertain)o(ties)h(in)0 2552 y(the)d(v)m(ariables)i(can)e(all)h(b)q(e) g(b)q(e)f(found)h(in)g Fo(feffit.log)t Fs(.)22 b(F)l(rom)16 b(this)g(\014le,)h(w)o(e)f(read)g(that)f(the)i Fp(N)1687 2559 y Fk(idp)1753 2552 y Fs(=)d(16,)i(and)0 2607 y Fp(N)37 2614 y Fk(v)n(arys)142 2607 y Fs(=)k(4,)g(so)f(that)g Fp(\027)k Fs(=)e(12.)32 b(W)l(e)20 b(also)f(see)h Fi(R)g(\031)g Fs(0)p Fp(:)p Fs(0022,)f(whic)o(h)h(means)g(the)f(data)g(and)h(theory)f (agree)0 2661 y(to)d(2)h(parts)g(in)h(a)f(thousand)g(o)o(v)o(er)f(the)h (\014t)g(range,)g(indicating)i(a)e(v)o(ery)g(go)q(o)q(d)g(\014t.)26 b(The)17 b(v)m(alues)h(for)f Fp(\037)1771 2645 y Fk(2)1809 2661 y Fs(and)g Fp(\037)1927 2645 y Fk(2)1927 2673 y Fh(\027)0 2716 y Fs(are)e Fi(\031)f Fs(312)h(and)h Fi(\031)e Fs(26,)h(resp)q(ectiv)o(ely)l(.)23 b(F)l(ollo)o(wing)17 b(the)f(discussion)h(in)g(c)o(hapter)e(5)g(ab)q(out)h(the)g(need)g(to)g (include)0 2770 y(systematic)i(errors)f(when)h(scaling)h Fp(\037)660 2754 y Fk(2)681 2770 y Fs(\(and)f(the)g(assertion)g(that)f (they)h(w)o(ere)g(not)g(included)i(in)f(the)f(estimate)0 2825 y(of)g(the)g(measuremen)o(t)g(uncertain)o(t)o(y)g Fp(\017)p Fs(\),)h(the)f(uncertain)o(ties)i(estimated)e(are)g(c)o (hosen)g(to)g(increase)h Fp(\037)1781 2809 y Fk(2)1820 2825 y Fs(b)o(y)f Fp(\037)1914 2809 y Fk(2)1914 2836 y Fh(\027)1937 2825 y Fs(.)p eop %%Page: 30 31 30 30 bop 0 100 a Fr(feffit)785 b Fg(Examples)f Fn(30)p 0 118 1950 2 v 0 245 a Fs(The)16 b(v)m(alues)h(found)f(for)g(the)g (four)f(v)m(ariables)j(and)e(the)g(uncertain)o(ties)h(found)f(\(ha)o (ving)g(already)g(b)q(een)h(rescaled)0 300 y(b)o(y)h Fr(feffit)p Fs(\))g(are)g(then)g Fl(e0)f Fi(\031)g(\000)p Fs(0)p Fp(:)p Fs(10)11 b Fi(\006)i Fs(0)p Fp(:)p Fs(26)8 b(eV)q(,)16 b Fl(deltar)p 1039 300 15 2 v 16 w(1)h Fi(\031)h Fs(0)p Fp(:)p Fs(0097)10 b Fi(\006)i Fs(0)p Fp(:)p Fs(0016)1467 292 y(\027)1467 300 y(A)n(,)18 b Fl(s02)f Fi(\031)g Fs(0)p Fp(:)p Fs(943)11 b Fi(\006)h Fs(0)p Fp(:)p Fs(026,)0 355 y(and)19 b Fl(debye)p 215 355 V 16 w(temp)f Fi(\031)h Fs(314)p Fp(:)p Fs(1)p Fp(pm)p Fs(15)p Fp(:)p Fs(2)7 b(K.)28 b(The)18 b(v)m(ariables)i Fl(e0)f Fs(and)f Fl(deltar)p 1322 355 V 17 w(1)g Fs(are)g(found)h(to)f(b)q(e)h(signi\014can)o(tly)0 409 y(correlated)c(\()p Fp(C)g Fi(\031)e Fs(0)p Fp(:)p Fs(83\),)h(while)i Fl(s02)f Fs(and)g Fl(debye)p 869 409 V 17 w(temp)g Fs(are)f(an)o(ti-correlated)i(\()p Fp(C)f Fi(\031)e(\000)p Fs(0)p Fp(:)p Fs(87\).)91 473 y(After)h(v)o(erifying)i (that)e(y)o(ou)h(can)g(get)g(these)g(v)m(alues)h(and)f(lo)q(ok)g(at)g (the)g(\014t)g(results)g(\(there's)f(alw)o(a)o(ys)g(a)h(hard)0 527 y(part\),)k(y)o(ou)f(should)i(b)q(e)g(able)g(to)e(edit)i(and)f(pla) o(y)g(with)h Fo(fit2.inp)t Fs(,)f(and)g(b)q(ecome)h(an)f(exp)q(ert)g (at)g(\014tting)g(Cu)0 582 y(XAFS.)14 b(Then)h(y)o(ou'll)g(b)q(e)g (ready)g(to)f(analyze)h(y)o(our)f(o)o(wn)g(data,)f(doing)i (sophisticated)h(m)o(ultiple-scattering)g(\014ts)0 636 y(with)e(ingenious)i(constrain)o(ts.)j(But)14 b(\014rst,)g(ere)g(are)g (some)g(suggestions)g(for)f(ho)o(w)h(to)f(pla)o(y)h(with)h(the)f(Cu)g (data)g(to)0 691 y(get)j(a)g(b)q(etter)g(feel)h(for)f(what)g Fr(feffit)h Fs(can)g(do.)26 b(These)17 b(aren't)g(required,)i(only)e (suggested,)h(and)f(they're)g(not)0 745 y(listed)f(in)g(an)o(y)f (particular)h(order:)45 809 y(1)23 b(Change)c(the)h Fp(k)q Fs(-range,)g Fp(dk)q Fs(,)g Fp(k)q Fs(-w)o(eigh)o(ting,)h(and)f(ev)o (en)f(the)h(F)l(ourier)g(T)l(ransform)e(Windo)o(w)i(t)o(yp)q(e)g (\(using)91 864 y Fl(iwindo)p Fs(\).)j(If)17 b(the)g(results)g(c)o (hange)g(what)f(do)q(es)h(that)f(mean?)25 b(Is)17 b(kno)o(wing)g(ho)o (w)f(a)h(v)m(ariable)h(dep)q(ends)g(on)91 918 y Fp(k)q Fs(-w)o(eigh)o(ting)e(imp)q(ortan)o(t?)23 b(\(It)16 b(is.\))22 b(Notice)16 b(that)f Fl(Kmax)h Fs(and)g Fl(Kmin)f Fs(determine)i Fp(N)1535 925 y Fk(idp)1588 918 y Fs(,)e(but)h(ha)o(v)o(e)g(sligh)o (tly)91 973 y(di\013eren)o(t)f(meanings)h(in)g(some)f(of)g(the)g(F)l (ourier)g(T)l(ransform)g(Windo)o(ws.)45 1036 y(2)23 b(Increase)e(the)f Fp(R)p Fs(-range,)g(so)g(that)f(the)h(\014t)g(is)g(done)h(o)o(v)o(er)e (all)i(t)o(w)o(elv)o(e)e(paths.)34 b(First)20 b(try)f(this)i(with)f (the)91 1091 y(Correlated)15 b(Deb)o(y)o(e)h(Mo)q(del.)22 b(Notice)16 b(that)f(all)h(the)g(linear)h(paths)e(at)g(t)o(wice)h(the)g (near-neigh)o(b)q(or)g(distance)91 1145 y(ha)o(v)o(e)f(the)g(same)g (Deb)o(y)o(e-W)l(aller)h(F)l(actors,)e(and)h(that)g(this)h(is)f(t)o (wice)h(that)e(of)h(the)h(near-neigh)o(b)q(or.)21 b(This)15 b(is)91 1200 y(a)g(general)g(result)h(of)f(this)h(mo)q(del,)f(and)h(a)f (v)o(ery)f(useful)j(w)o(a)o(y)d(to)g(constrain)i(Deb)o(y)o(e-W)l(aller) g(F)l(actors.)45 1264 y(3)23 b(T)l(ry)17 b(\014tting)g(without)g(the)g (Deb)o(y)o(e)g(Mo)q(del,)h(\014tting)g(the)f(individual)j(Deb)o(y)o (e-W)l(aller)e(F)l(actors)e(separately)l(.)91 1318 y(Then)g(try)e(the)i (Einstein)g(Mo)q(del.)45 1382 y(4)23 b(Fit)15 b(in)h Fp(k)q Fs(-space,)f(trying)h(some)f(of)f(the)i(di\013eren)o(t)f(w)o(a)o (ys)f(to)h(calculate)h(the)f(Deb)o(y)o(e-W)l(aller)h(F)l(actors.)45 1445 y(5)23 b(Go)17 b(all)h(the)f(w)o(a)o(y)g(bac)o(k)g(to)g(the)g Fr(a)o(utobk)h Fs(example,)g(and)g(remo)o(v)o(e)e(the)i(bac)o(kground)f (and)h(then)f(analyze)91 1500 y(the)f(50K)g(and)g(150K)g(Cu)g(data.)22 b(This)17 b(is)f(almost)g(lik)o(e)h(starting)f(o)o(v)o(er,)f(and)h (should)h(get)f(y)o(ou)g(completely)91 1555 y(ready)f(for)g(y)o(our)f (o)o(wn)h(analysis.)91 1618 y(The)f(basic)h(ideas)f(here)h(are)e (probably)i(useful)g(for)e(general)i(data)e(analysis)h(|)h(start)e (small,)h(with)g(the)g(\014rst)0 1673 y(neigh)o(b)q(or)19 b(distance,)g(and)f(w)o(ork)f(y)o(our)g(w)o(a)o(y)g(out)g(in)i Fp(R)p Fs(-space)f(un)o(til)h(y)o(ou)f(can't)f(get)h(an)o(ything)g (else)h(from)e(the)0 1727 y(data.)23 b(Dep)q(ending)c(on)d(ho)o(w)g (complicated)i(y)o(our)e(system)g(is,)h(y)o(ou)f(ma)o(y)g(need)i(to)e (start)f(with)i(more)f(than)g(just)0 1782 y(one)h(or)g(t)o(w)o(o)e (paths,)i(and)h(y)o(ou)e(ma)o(y)h(not)f(b)q(e)i(able)g(to)e(\014t)h (the)g(\014rst)g(shell)i(without)e(m)o(ultiple)i(scattering.)25 b(But)0 1836 y(y)o(ou)15 b(can)g(still)i(start)d(small,)h(and)h(w)o (ork)e(y)o(our)h(w)o(a)o(y)f(up.)p eop %%Page: 31 32 31 31 bop 0 100 a Fq(Appendix)24 b(B)1582 b Fn(31)p 0 118 1950 2 v 0 245 a Fm(Suggestions)24 b(for)f(Building)j(Ph)n(ysical)f (Mo)r(dels)g(with)f(FEFFIT)91 430 y Fs(The)19 b(examples)i(in)f(app)q (endix)h(A)e(are)g(in)o(tended)i(as)e(tutorial)g(in)o(tro)q(ductions)i (to)d Fr(feffit)p Fs(.)33 b(Y)l(ou)20 b(are)f(no)0 484 y(doubt)f(trying)g(to)g(\014t)g(something)g(more)g(in)o(teresting)g (and)h(di\016cult)g(than)f(Cu.)29 b(And)18 b(although)h(the)f(tutorial) 0 539 y(examples)e(sho)o(w)g(man)o(y)f(asp)q(ects)h(of)f(using)h Fr(feffit)h Fs(to)e(mo)q(del)i(XAFS)e(data,)g(there)h(are)f(some)h (subtleties)h(and)0 593 y(tric)o(ks)c(that)f(y)o(ou)h(ma)o(y)f(w)o(an)o (t)g(to)g(use)h(to)f(get)h(the)g(most)f(out)g(of)h(y)o(our)f(data.)19 b(The)13 b(hardest)g(part)f(of)g(using)i Fr(feffit)0 648 y Fs(is)20 b(\014guring)h(out)e(ho)o(w)h(to)f(cut)h(do)o(wn)g(the)g (n)o(um)o(b)q(er)g(of)g(v)m(ariables,)i(and)e(ho)o(w)f(to)g(mak)o(e)h (a)f(reasonable)i(set)e(of)0 702 y(constrain)o(ts)c(of)f(the)i(P)o(ath) e(P)o(arameters)g(so)g(that)h(some)g(ph)o(ysics)h(is)f(put)h(in)g(the)f (problem.)20 b(In)c(this)g(app)q(endix)h(I)0 757 y(will)f(try)d(to)h (explain)i(some)e(of)f(the)i(mo)q(deling)g(ideas)g(and)g(ph)o(ysical)g (insigh)o(t)g(w)o(e'v)o(e)f(come)g(up)g(with)h(for)e Fr(feffit)p Fs(.)0 812 y(W)l(e)19 b(hop)q(e)g(that)f(this)h(app)q (endix)h(will)h(pro)o(vide)e(the)f(kinds)i(of)e(suggestions)h(that)f (can)g(inspire)j(y)o(ou)d(to)g(\014nd)h(a)0 866 y(creativ)o(e)h (solution)h(to)f(y)o(our)g(mo)q(deling)i(needs.)35 b(And)21 b(if)g(y)o(ou)f(come)g(up)h(with)f(some)g(creativ)o(e)h(solutions)g(to) 0 921 y(XAFS)15 b(problem)h(using)g Fr(feffit)p Fs(,)g(w)o(e'd)f(lo)o (v)o(e)g(to)f(hear)i(ab)q(out)f(it.)91 984 y(The)k(examples)g(in)g(app) q(endix)i(A)d(did,)i(in)f(fact,)g(use)g(a)f(few)g(mo)q(deling)i(tric)o (ks.)30 b(The)19 b(use)f(of)h(the)f(Deb)o(y)o(e)0 1039 y(function)13 b(and)g Fl(reff)e Fs(in)i(the)g(Cu)f(example)h(allo)o(w)o (ed)g(man)o(y)f(P)o(ath)f(P)o(arameters)g(to)h(b)q(e)h(reduced)g(to)f (t)o(w)o(o)f(v)m(ariables)0 1093 y(\(the)16 b(Deb)o(y)o(e)f(T)l(emp)q (erature)h(and)g(\001)p Fp(R)667 1100 y Fk(1)687 1093 y Fs(,)f(with)h(a)g(linear)h(expansion)g(mo)q(del\).)22 b(Though)15 b(simple,)i(these)f(are)g(the)0 1148 y(t)o(yp)q(es)f(of)f (tric)o(ks)h(that)f(will)j(b)q(e)f(discussed)g(in)g(this)f(App)q (endix.)22 b(All)16 b(the)f(tric)o(ks)g(will)i(b)q(e)e(illustrated)h (with)g(parts)0 1202 y(of)f(input)h(\014les,)g(and)f(are)g(included)j (in)e(the)f(\014le)h Fo(suggest.inp)t Fs(.)0 1293 y Ff(B.1)90 b(Simple)21 b(Numerical)g(Constrain)n(ts)91 1356 y Fs(Often)12 b(times)f(y)o(ou)g(kno)o(w)g(ahead)g(of)g(time)h(that)e(some)h(v)m (ariable)i(or)d(P)o(ath)h(P)o(arameter)f(has)h(a)g(range)g(of)g(v)m (alues)0 1411 y(that)i(is)i(\\reasonable")f(and)g(a)g(range)f(that)h (is)g(\\unreasonable".)20 b(A)14 b(t)o(ypical)h(example)g(w)o(ould)f(b) q(e)h(the)f(assertion)0 1465 y(that)c(no)g(n)o(um)o(b)q(er)h(for)f Fp(\033)406 1449 y Fk(2)436 1465 y Fs(should)i(b)q(e)f(negativ)o(e.)19 b(Non-linear)11 b(least-squares)g(\014tting)g(do)q(es)g(not)f(usually)i (allo)o(w)e(y)o(ou)0 1520 y(put)j(an)o(y)g(constrain)o(ts)g(on)g(the)g (v)m(ariables)i(in)f(the)f(\014t)g(\()p Fe(i.e.)p Fs(,)g(the)g(things)g (that)g(are)g Fl(guess)p Fs(ed)g(are)g(unconstrained\),)0 1574 y(so)j(that)g(it)h(is)h(not)e(p)q(ossible)j(to)d(tell)i(the)e (program)g(to)g(allo)o(w)h Fl(sigma2)f Fs(to)g(v)m(ary)l(,)h(but)g(to)f (mak)o(e)g(sure)h(that)f(it)h(is)0 1629 y(not)d(negativ)o(e.)19 b(But)14 b(the)g(User-De\014ned)h(F)l(unctions)g(can)f(b)q(e)h (constrained,)g(so)e(that)g(y)o(ou)h(can)g(write)g(a)g(function)0 1683 y(of)h(the)g(v)m(ariable)i Fl(sigma2)e Fs(that)f(is)i(constrained) g(and)f(use)h(that)f(constrained)h(User-De\014ned)g(F)l(unction)g(for)f (the)0 1738 y(P)o(ath)g(P)o(arameter.)21 b(There)16 b(are)g(a)g(few)g (w)o(a)o(ys)f(to)g(write)h(a)g(function)h(that)e(is)h(guaran)o(teed)g (to)f(b)q(e)i(non-negativ)o(e.)0 1793 y(Here's)e(one)g(solution:)91 1865 y Fc(\045)21 b(-----------------)o(----)o(-----)o(--)156 1920 y(guess)86 b(ss2)130 b(=)21 b(0.0)174 b(\045)21 b(ss2)g(will)g(vary)g(without)f(constraint)156 1974 y(set)130 b(sigma2_1)20 b(=)h(abs\(ss2\))64 b(\045)21 b(while)g(sigma2_1)f(will)h (be)g(non-negative)91 2029 y(\045)156 2084 y(sigma2)42 b(1)i(sigma2_1)91 2138 y(\045)21 b(-----------------)o(----)o(-----)o (--)0 2202 y Fs(This)d(is)g(a)g(particularly)g(simple)h(case.)27 b(What)17 b(if)h(y)o(ou)g(w)o(an)o(t)e Fl(sigma2)p 1231 2202 15 2 v 16 w(1)i Fs(to)f(b)q(e)h(bigger)g(than)f(some)h(v)m(alue,)h Fl(x)p Fs(?)0 2257 y(Just)13 b(use)f Fl(set)24 b(sigma2)p 415 2257 V 16 w(1)g(=)g(abs\(ss2)f(+)g(x\))p Fs(.)c(But)12 b(no)o(w)g(what)g(if)h(y)o(ou)f(w)o(an)o(t)g(to)f(place)j(b)q(oth)e (upp)q(er)i(and)e(lo)o(w)o(er)0 2312 y(constrain)o(ts)k(on)h(some)g(v)m (alue?)27 b(Sa)o(y)l(,)16 b(for)h(example,)g(that)g(y)o(ou)f(think)i Fl(S02)e Fs(should)i(not)e(b)q(e)i(smaller)g(than)e(0.5,)0 2366 y(but)i(y)o(ou)f(also)h(w)o(an)o(t)f(to)g(prev)o(en)o(t)g(it)h (from)f(b)q(eing)i(larger)f(than)f(1.0?)27 b(Again,)19 b(there)f(a)f(few)h(w)o(a)o(ys)e(to)h(do)h(this.)0 2421 y(The)d(solution)h(I)g(prefer)f(uses)h(b)q(oth)f(the)g Fl(max)g Fs(and)g Fl(min)g Fs(functions:)91 2493 y Fc(\045)21 b(-----------------)o(----)o(-----)o(--)156 2548 y(guess)43 b(amp)108 b(=)21 b(0.70)369 b(\045)22 b(amp)f(will)g(vary)f(freely)156 2603 y(set)87 b(lower)64 b(=)21 b(0.50)369 b(\045)22 b(lower)e(bound)h(for)g(s02)156 2657 y(set)87 b(upper)64 b(=)21 b(1.00)369 b(\045)22 b(upper)e(bound)h(for)g(s02)91 2712 y(\045)156 2766 y(s02)65 b(0)43 b(max\(lower,)19 b(min\(upper,)h(amp\)\))42 b(\045)22 b(constrained)d(path)i(parameter) 91 2821 y(\045)g(-----------------)o(----)o(-----)o(--)p eop %%Page: 32 33 32 32 bop 0 100 a Fr(feffit)326 b Fg(Suggestions)16 b(for)e(Building)k (Ph)o(ysical)e(Mo)q(dels)g(with)f(FEFFIT)325 b Fn(32)p 0 118 1950 2 v 0 245 a Fs(This)17 b(allo)o(ws)g(the)g(upp)q(er)h(and)f (lo)o(w)o(er)g(limits)h(to)e(b)q(e)i(c)o(hanged)f(easily)l(.)26 b(Be)17 b(careful)h(when)f(doing)h(this.)25 b(Mixing)0 300 y(up)18 b Fl(min)e Fs(and)i Fl(max)e Fs(or)h(setting)g Fl(lower)f Fs(to)h(b)q(e)h(greater)e(than)h Fl(upper)f Fs(will)j(not)e(allo)o(w)g Fl(s02)g Fs(to)f(v)m(ary)h(at)g(all,)h(and)0 355 y(will)g(probably)f(mak)o(e)f Fl(amp)g Fs(a)g(n)o(ull)i(v)m (ariable)g(that)e(kills)i(the)e(error)g(analysis.)24 b(Finally)l(,)19 b(after)c(telling)j(y)o(ou)e(ho)o(w)0 409 y(to)e(do)g(these)h(things,)g(I'll)g(ask)g(wh)o(y)f(y)o(ou)g(need)h (them?)21 b(If)14 b(y)o(ou)h(really)g(need)g(the)g(constrain)o(t,)f (the)g(b)q(est)h(\014t)g(m)o(ust)0 464 y(w)o(an)o(t)f(to)h(giv)o(e)h(v) m(alues)h(for)d(the)i(v)m(ariables)h(that)d(y)o(ou)i(consider)g(to)f(b) q(e)h(ph)o(ysically)h(unreasonable.)22 b(This)16 b(should)0 518 y(disturb)g(y)o(ou)f(and)g(inspire)i(y)o(ou)e(to)f(think)i(more)f (carefully)i(ab)q(out)e(the)g(mo)q(del)h(y)o(ou're)f(using.)0 614 y Ff(B.2)90 b(Using)21 b(More)f(Than)g(One)h(E0)f(Shifts)91 679 y Fs(This)c(is)h(easy)e(to)g(put)h(in)h Fo(feffit.inp)t Fs(.)k(Y)l(ou)16 b(simply)h(put)f(use)g(di\013eren)o(t)g Fl(e0)p Fs(s)f(for)g(di\013eren)o(t)h(paths.)22 b(The)0 734 y(question)e(is:)29 b(Wh)o(y)19 b(w)o(ould)h(y)o(ou)f(ev)o(er)g (need)h(more)f(than)g(one)h Fl(e0)p Fs(?)33 b Fr(feff)20 b Fs(mak)o(es)f(v)m(arious)h(appro)o(ximations)0 788 y(whic)o(h)d(can)f(b)q(e)h(roughly)f(corrected)g(b)o(y)g(shifts)g(of)g Fl(e0)p Fs(,)f(including)k(incomplete)e(core-hole)g(shielding,)i(a)c (lac)o(k)h(of)0 843 y(angular)g(v)m(ariations)g(of)g(the)f(v)m(alence)j (c)o(harge)d(distribution,)j(and)e(a)f(lac)o(k)h(of)f(c)o(harge)h (transfer)f(b)q(et)o(w)o(een)h(atoms)0 897 y(in)i(p)q(olar)g (materials.)26 b(Suc)o(h)17 b(appro)o(ximations)g(are)g(w)o(orst)f(for) h(insulating)i(materials)e(with)g(co)o(v)m(alen)o(t)h(or)f(ionic)0 952 y(b)q(onds.)30 b(In)20 b(suc)o(h)e(cases)h(it)g(is)g(probably)g (imp)q(ortan)o(t)f(to)g(use)g(one)h Fl(e0)f Fs(for)g(the)h(near-neigh)o (b)q(or,)h(and)e(another)0 1006 y(for)e(the)g(rest)g(of)g(the)g(neigh)o (b)q(ors,)h(whic)o(h)g(will)h(comp)q(ensate)f(for)e(the)i(incomplete)h (shielding)g(of)e(the)g(core-hole.)0 1061 y(Y)l(ou)h(migh)o(t)f(ev)o (en)g(migh)o(t)g(try)g(more)g(than)g(t)o(w)o(o)f Fl(e0)p Fs(s)h(for)g(some)g(materials.)23 b(W)l(e'v)o(e)16 b(found)h(that)e (using)i(t)o(w)o(o)e Fl(e0)0 1115 y Fs(impro)o(v)o(es)i(the)g(\014t)g (quite)g(a)g(bit)g(for)g(a)f(v)m(ariet)o(y)i(of)e(ionic)i(and)g (insulating)g(materials,)f(with)h(the)f(t)o(ypical)h(result)0 1170 y(that)c(the)h(t)o(w)o(o)f(are)g(a)h(few)f(V)l(olts)h(apart)f(and) i(w)o(ell)f(outside)h(their)f(estimated)g(uncertain)o(ties.)21 b(In)16 b(BaZR)o(O)1839 1177 y Fk(3)1874 1170 y Fs(\(see)0 1225 y(Hask)o(el)e Fe(et)i(al.)p Fs(,)d(in)i(press\),)f(as)f(man)o(y)h (as)g(four)f Fl(e0)p Fs(s)h(w)o(ere)g(found)g(to)f(eac)o(h)i (signi\014can)o(tly)g(impro)o(v)o(e)f(the)g(\014t.)20 b(These)0 1279 y(ha)o(v)o(e)15 b(b)q(een)h(in)o(terpreted)g(as)f (accoun)o(ting)h(for)e(angular)i(v)m(ariations)f(of)g(the)h(v)m(alence) g(c)o(harge)f(densit)o(y)h(as)f(w)o(ell)h(as)0 1334 y(incomplete)h (shielding)g(of)e(the)g(core-hole)i(at)d(the)h(\014rst)g(neigh)o(b)q (or.)0 1429 y Ff(B.3)90 b(Measuring)21 b(the)f(Num)n(b)r(er)h(of)f (Near)g(Neigh)n(b)r(ors)91 1495 y Fs(This)h(is)f(a)g(particularly)h (imp)q(ortan)o(t)f(and)g(common)g(problem)h(in)g(XAFS)f(analysis.)35 b(But)20 b(there)g(are)g(a)0 1549 y(few)g(complications)h(in)g(getting) f(the)g(co)q(ordination)h(n)o(um)o(b)q(er)f(from)f(XAFS)i(data.)33 b(The)20 b(\014rst)g(is)h(that)e(b)q(oth)0 1604 y(the)d(n)o(um)o(b)q (er)g(of)f(near)h(neigh)o(b)q(ors)g(and)g(the)g(passiv)o(e)g(electron)g (amplitude)h(reduction)g(factor)e(\()p Fp(N)1703 1611 y Fk(degen)1810 1604 y Fs(and)h Fp(S)1930 1587 y Fk(2)1927 1615 y(0)0 1658 y Fs(in)i(equation)g(Eq.)26 b(6.1\))16 b(con)o(tribute)i(to)e(the)i(XAFS)f(for)g(a)g(giv)o(en)g(path)h(in)g (exactly)f(the)h(same)f(w)o(a)o(y)l(,)f(meaning)0 1713 y(that)e(they)i(are)f(almost)f(completely)j(correlated)e(quan)o (tities.)21 b(This)16 b(is)f(wh)o(y)g(there)h(are)f(not)f(separate)h Fl(S02)g Fs(and)0 1767 y Fl(N)p 27 1767 15 2 v 17 w(degen)10 b Fs(P)o(ath)h(P)o(arameters)e(in)j Fr(feffit)p Fs(.)20 b(The)11 b(upshot)g(of)g(this)g(is)h(that)e(the)h(n)o(um)o(b)q(er)h(of) e(near)h(neigh)o(b)q(ors)h(cannot)0 1822 y(b)q(e)19 b(precisely)h(and)e (accurately)h(determined)g(without)f(an)g(equally)i(precise)f(and)g (accurate)f(measuremen)o(t)f(of)0 1876 y Fp(S)31 1860 y Fk(2)28 1888 y(0)51 1876 y Fs(.)j(The)c(most)e(lik)o(ely)k(p)q (ossibilit)o(y)f(for)e(o)o(v)o(ercoming)g(this)h(problem)g(is)g(to)e (get)h Fp(S)1409 1860 y Fk(2)1406 1888 y(0)1444 1876 y Fs(b)o(y)h(some)f(other)g(means.)20 b(T)l(o)0 1931 y(a)13 b(go)q(o)q(d)h(appro)o(ximation,)f Fp(S)491 1914 y Fk(2)488 1942 y(0)525 1931 y Fs(is)h(transferable)g(b)q(et)o(w)o(een) f(di\013eren)o(t)h(systems)f(with)h(the)g(same)f(cen)o(tral)h(atom.)k (In)0 1985 y(principle,)f(y)o(ou)e(ough)o(t)f(to)g(b)q(e)i(able)f(to)f (measure)h Fp(S)887 1969 y Fk(2)884 1997 y(0)922 1985 y Fs(for)f(eac)o(h)h(elemen)o(t)g(once)g(\(as)f(on)h(a)g(sample)g(for)f (whic)o(h)i(the)0 2040 y(co)q(ordination)11 b(n)o(um)o(b)q(er)g(is)g (not)g(in)g(doubt\),)g(and)g(set)f(that)g(n)o(um)o(b)q(er)h(in)h(all)f (other)f(\014ts)h(to)f(get)g(go)q(o)q(d)g(measuremen)o(ts)0 2095 y(of)20 b(the)h(co)q(ordination)g(n)o(um)o(b)q(er.)37 b(Ho)o(w)o(ev)o(er,)20 b(suc)o(h)h(measuremen)o(ts)g(m)o(ust)f(b)q(e)h (done)g(carefully)h(to)e(minimize)0 2149 y(exp)q(erimen)o(tal)d (distortions)e(in)h(the)f(XAFS)h(amplitude.)91 2214 y(But)c(what)g(if)h (y)o(ou)f(don't)g(ha)o(v)o(e)g(an)o(y)g(idea)h(what)f Fp(S)947 2198 y Fk(2)944 2226 y(0)980 2214 y Fs(is,)h(and)f(y)o(ou)g (still)i(w)o(an)o(t)d(to)h(measure)h(the)f(co)q(ordination)0 2269 y(n)o(um)o(b)q(er?)21 b(One)15 b(p)q(ossibilit)o(y)h(is)f(to)f (assert)f(that)g Fp(S)858 2252 y Fk(2)855 2280 y(0)893 2269 y Fs(is)h(the)h(same)f(for)f(all)i(paths)f(in)h(the)g(solid.)20 b(This)15 b(remo)o(v)o(es)f(at)0 2323 y(least)g(some)g(of)f(the)h(in)o (terdep)q(endence)j(b)q(et)o(w)o(een)e Fp(S)886 2307 y Fk(2)883 2335 y(0)919 2323 y Fs(and)g(the)f(co)q(ordination)g(n)o(um) o(b)q(er,)h(so)e(that)g(y)o(ou)h(can)g(\014t)g Fp(S)1930 2307 y Fk(2)1927 2335 y(0)0 2378 y Fs(for)f(a)h(few)g(di\013eren)o(t)g (paths)f(and)h(the)g(co)q(ordination)h(n)o(um)o(b)q(er)f(for)g(just)f (one)h(\(sa)o(y)f(the)h(shortest)f(path\),)g(but)i(this)0 2432 y(still)h(isn't)e(p)q(erfect.)20 b(A)14 b(b)q(etter)h(w)o(a)o(y)e (to)g(get)h(a)g(go)q(o)q(d)g(v)m(alue)i(for)d Fp(S)1123 2416 y Fk(2)1120 2444 y(0)1157 2432 y Fs(is)i(to)f(use)g(the)h(temp)q (erature-dep)q(endence)h(of)0 2487 y(the)d(XAFS)h(\(o)o(v)o(er)e(some)h (range)g(for)f(whic)o(h)j Fp(N)793 2494 y Fk(degen)898 2487 y Fs(is)f(also)f(constan)o(t\).)18 b Fp(S)1280 2471 y Fk(2)1277 2498 y(0)1313 2487 y Fs(will)d(not)e(dep)q(end)i(on)e(temp) q(erature,)0 2542 y(and)f(the)f(temp)q(erature)h(dep)q(endence)i(of)d (the)g Fp(\033)805 2525 y Fk(2)837 2542 y Fs(for)f(the)i(\014rst)f (neigh)o(b)q(or)h(\(or)f(the)h(neigh)o(b)q(ors)g(with)g(the)f (strongest)0 2596 y(bac)o(kscattering\))g(should)i(b)q(e)f(fairly)g (simple.)20 b(Most)11 b(b)q(onds)h(are)f(w)o(ell-appro)o(ximated)i(b)o (y)f(an)f(Einstein)i(oscillator)0 2651 y(so)i(that)f Fp(\033)182 2634 y Fk(2)217 2651 y Fs(is)i(giv)o(en)f(b)o(y)g(Eq.)g (\(4.1\).)j(As)d(a)g(last)g(resort,)e(or)i(a)g(zeroth)g(order)f(appro)o (ximation,)h(the)g(v)m(alue)h(of)f Fp(S)1930 2634 y Fk(2)1927 2662 y(0)0 2705 y Fs(can)g(b)q(e)h(set)f(to)g(0.9,)f(whic)o(h)i(is)f (exp)q(ected)i(to)d(b)q(e)i(correct)f(to)f(ab)q(out)i(10\045)e(for)h (all)h(systems.)91 2770 y(The)j(second)h(complication)h(is)f(a)f(pro)q (cedural)h(artifact)f(of)g(the)g(w)o(a)o(y)g Fr(feffit)h Fs(sums)f(o)o(v)o(er)g Fr(feff)i Fs(paths.)0 2825 y Fr(feffit)d Fs(uses)g(the)g(v)m(alue)h(of)e Fp(N)547 2832 y Fk(degen)657 2825 y Fs(from)g(the)g Fo(feffnnnn.dat)k Fs(\014le,)e(whic)o(h)g(are)e (going)g(to)g(b)q(e)h(totally)g(inap-)p eop %%Page: 33 34 33 33 bop 0 100 a Fr(feffit)326 b Fg(Suggestions)16 b(for)e(Building)k (Ph)o(ysical)e(Mo)q(dels)g(with)f(FEFFIT)325 b Fn(33)p 0 118 1950 2 v 0 245 a Fs(propriate)17 b(if)g(y)o(ou're)g(trying)g(to)f (\014t)h(this)g(n)o(um)o(b)q(er.)26 b(There)17 b(are)g(t)o(w)o(o)e(c)o (hoices:)25 b(either)17 b(to)g(k)o(eep)g(trac)o(k)f(of)h(what)0 300 y(w)o(as)e(in)h(the)g Fo(feffnnnn.dat)j Fs(\014le)e(for)e Fp(N)708 307 y Fk(degen)816 300 y Fs(and)h(\014gure)g(it)g(out)f(later) h(or)f(use)h(the)g Fl(nodegen)e Fs(\015ag)i(whic)o(h)g(will)0 355 y(set)f Fp(N)108 362 y Fk(degen)215 355 y Fs(to)g(1)g(in)h(Eq.)f (\(6.1\))e(for)i(all)h(paths,)f(I)g(prefer)g(the)h(second)f(option.)91 428 y(Here)g(is)h(part)f(of)f(a)h Fo(feffit.inp)k Fs(\014le)e(that)d (will)j(\014t)e Fp(N)20 b Fs(assuming)15 b(that)g Fp(S)1391 412 y Fk(2)1388 440 y(0)1426 428 y Fs(has)g(b)q(een)h(giv)o(en)g(to)e (us:)91 547 y Fc(\045)21 b(-----------------)o(----)o(-----)o(--)156 601 y(nodegen)f(=)i(true)282 b(\045)21 b(set)g(all)g(values)g(of)g (n_degen)f(=)i(1.0)156 656 y(set)87 b(s02)f(=)43 b(0.9)152 b(\045)21 b(s02)g(from)g(divine)g(providence)156 710 y(guess)43 b(n1)108 b(=)43 b(9.0)152 b(\045)21 b(fitting)f(the)h (coordination)e(number)91 765 y(\045)156 819 y(path)65 b(1)g(feff0001.dat)d(\045)156 874 y(s02)87 b(1)65 b(s02)21 b(*)g(n1)91 928 y(\045)g(-----------------)o(----)o(-----)o(--)0 1038 y Fs(The)16 b(k)o(ey)g(p)q(oin)o(t)h(here)f(is)h(that)e(the)h (constan)o(t)f(amplitude)j(for)d(the)h(near)g(neigh)o(b)q(or)h(is)g (the)f(pro)q(duct)g(of)g Fp(S)1841 1021 y Fk(2)1838 1049 y(0)1877 1038 y Fs(and)0 1092 y(the)i(co)q(ordination)g(n)o(um)o(b)q (er.)27 b(No)o(w,)17 b(here's)g(part)g(of)g(a)g Fo(feffit.inp)22 b Fs(\014le)c(that)f(will)i(\014t)e(b)q(oth)h Fp(S)1709 1076 y Fk(2)1706 1104 y(0)1746 1092 y Fs(and)g Fp(N)k Fs(for)0 1147 y(the)15 b(\014rst)g(shell,)i(assuming)e(that)f Fp(N)20 b Fs(for)15 b(the)g(second)h(shell)g(is)g(kno)o(wn.)91 1265 y Fc(\045)21 b(-----------------)o(----)o(-----)o(--)156 1320 y(nodegen)f(=)i(true)282 b(\045)21 b(set)g(all)g(values)g(of)g (n_degen)f(=)i(1.0)156 1374 y(guess)43 b(s02)86 b(=)43 b(0.9)152 b(\045)21 b(fitting)f(s02)156 1429 y(guess)43 b(n1)108 b(=)43 b(6.0)152 b(\045)21 b(fitting)f(1st)h(shell)g (coordination)e(number)156 1483 y(set)87 b(n2)108 b(=)21 b(12.0)152 b(\045)21 b(setting)f(2nd)h(shell)g(coordination)e(number)91 1538 y(\045)156 1592 y(path)65 b(1)g(feff0001.dat)84 b(\045)156 1647 y(id)109 b(1)65 b(a)21 b(few)g(\(6?\))43 b(near)21 b(neighbors)156 1701 y(s02)87 b(1)65 b(s02)21 b(*)g(n1)91 1756 y(\045)156 1811 y(path)65 b(2)g(feff0002.dat)84 b(\045)156 1865 y(id)109 b(2)65 b(twelve)20 b(second)g(neighbors,)g(no) h(doubt)g(about)f(it)156 1920 y(s02)87 b(2)65 b(s02)21 b(*)g(n2)113 1974 y(--------------)o(----)o(----)o(-----)o(-)0 2132 y Ff(B.4)90 b(Com)n(bining)21 b(Tw)n(o)g(T)n(yp)r(es)f(of)g(Near)h (Neigh)n(b)r(ors)91 2206 y Fs(This)16 b(is)f(also)g(a)g(common)f (problem)i(in)g(XAFS)f(analysis.)21 b(The)15 b(solution)h(is)f(prett)o (y)g(similar)h(to)e(the)h(ab)q(o)o(v)o(e)0 2260 y(problem,)i(but)f (let's)h(do)f(this)h(one)f(to)q(o.)23 b(As)16 b(an)g(example,)h(let's)g (sa)o(y)e(w)o(e)h(ha)o(v)o(e)g(a)g(Au-Ag)h(allo)o(y)l(,)g(with)f(data)g (on)0 2315 y(the)h(Au)g(edge,)h(and)f(a)g(mixture)g(of)g(Au)g(and)g(Ag) g(near-neigh)o(b)q(ors,)h(at)e(roughly)i(the)f(same)g(distance)g(\(so)g (that)0 2369 y Fr(feff)f Fs(calculations)h(are)d(roughly)i (transferable\))e(in)i(an)f(F)o(CC)f(crystal.)20 b(The)15 b(problem)h(is:)k(Ho)o(w)14 b(man)o(y)h(Au-Ag)0 2424 y(near)k(neigh)o(b)q(ors)h(are)f(there,)i(and)e(ho)o(w)g(man)o(y)g (Au-Au)h(neigh)o(b)q(ors)g(are)f(there?)33 b(Since)21 b(Au)f(and)g(Ag)f(form)f(a)0 2478 y(substitutional)c(allo)o(y)f(at)g (all)g(concen)o(trations,)g(I'm)g(going)g(to)f(assert)g(that)g(there)h (are)g(12)f(total)g(near-neigh)o(b)q(ors.)91 2552 y(This)17 b(problem)g(de\014nitely)i(needs)e(the)g Fl(nodegen)e Fs(\015ag.)24 b(It)16 b(could)i(b)q(e)f(solv)o(ed)g(without)f(this)h (\015ag,)f(but)h(it's)0 2607 y(m)o(uc)o(h)12 b(to)q(o)e(painful.)21 b Fr(feff)13 b Fs(will)g(giv)o(e)f(y)o(ou)f(t)o(w)o(o)f(di\013eren)o(t) i Fo(feffnnnn.dat)j Fs(\014les)d(at)f(the)h(\014rst)f(neigh)o(b)q(or)i (distance,)0 2661 y(whic)o(h)j(I'll)f(call)h Fo(feffAuAu.dat)j Fs(and)14 b Fo(feffAuAg.dat)t Fs(.)20 b(Dep)q(ending)c(on)f(ho)o(w)f(y) o(ou)g(do)h(the)g Fr(feff)h Fs(calculation,)0 2716 y(these)c(t)o(w)o(o) f(\014les)i(could)g(ha)o(v)o(e)e(nearly)i(an)o(y)e(path)h(degeneracy)l (,)h(so)e(it's)h(b)q(est)g(just)g(to)f(turn)h(o\013)f(this)i (confusion,)g(and)0 2770 y(con)o(trol)j(it)h(all)h(within)g Fr(feffit)p Fs(.)26 b(Here's)16 b(the)h(imp)q(ortan)o(t)f(part)h(of)f Fo(feffit.inp)k Fs(for)d(this)g(problem,)g(ignoring)0 2825 y(an)o(ything)e(else)i(lik)o(e)f(distances)g(c)o(hanges:)p eop %%Page: 34 35 34 34 bop 0 100 a Fr(feffit)326 b Fg(Suggestions)16 b(for)e(Building)k (Ph)o(ysical)e(Mo)q(dels)g(with)f(FEFFIT)325 b Fn(34)p 0 118 1950 2 v 113 321 a Fc(\045)156 375 y(nodegen)20 b(=)i(true)391 b(\045)21 b(set)g(all)g(values)g(of)g(n_degen)f(=)i(1.0) 156 430 y(set)87 b(s02)108 b(=)43 b(0.9)239 b(\045)21 b(from)g(pure)g(Au)g(measurements)e(\(?\))156 485 y(guess)43 b(n_au)86 b(=)43 b(2.0)239 b(\045)21 b(fit)g(the)g(number)g(of)g(Au)g (near-neighbors)156 539 y(set)87 b(n_total)20 b(=)h(12.0)239 b(\045)21 b(set)g(the)g(number)g(of)g(total)f(neighbors)156 594 y(set)87 b(n_ag)f(=)21 b(n_total)f(-)i(n_au)f(\045)g(the)g(number)g (of)g(Ag)g(near-neighbors)113 648 y(\045)178 703 y(path)86 b(1)43 b(feffAuAu.dat)178 757 y(id)130 b(1)43 b(Au-Au)21 b(single)f(scattering,)178 812 y(s02)108 b(1)43 b(s02)21 b(*)h(n_au)113 866 y(\045)178 921 y(path)86 b(2)43 b(feffAuAg.dat)178 975 y(id)130 b(2)43 b(Au-Ag)21 b(single)f(scattering,)f(degen)i(=)h (1.0)178 1030 y(s02)108 b(2)43 b(s02)21 b(*)h(n_ag)113 1085 y(\045)0 1165 y Ff(B.5)90 b(Linear)21 b(In)n(terp)r(olation)91 1229 y Fs(The)e(ab)q(o)o(v)o(e)f(tec)o(hnique)h(actually)g(has)g(some)f (imp)q(ortan)o(t)g(asp)q(ects)g(that)g(should)h(b)q(e)h(further)e (discussed.)0 1283 y(Note)h(that)f(t)o(w)o(o)g Fr(feff)j Fs(calculations)f(\(and)g(they)f(migh)o(t)g(b)q(e)h(from)e(di\013eren)o (t)i Fr(feff)g Fs(runs,)g(to)q(o\))e(are)h(used)h(in)0 1338 y Fr(feffit)e Fs(as)f(t)o(w)o(o)g(paths)g(that)f(are)i(com)o (bined)g(to)f(giv)o(e)h(a)f(single)h(ph)o(ysical)h(shell.)28 b Fr(feffit)19 b Fs(is)f(an)f(extension)h(of)0 1392 y Fr(feff)p Fs(,)g(and)f(can)f(com)o(bine)i(paths)e(from)g(di\013eren)o (t)h(runs.)24 b(Also)17 b(note)f(that)g(this)h(tec)o(hnique)h(is)f(an)g (example)g(of)0 1447 y(a)e(linear)i(com)o(bination)g(of)e(paths,)h(and) g(that)f(the)g(\\linear)i(co)q(e\016cien)o(ts")g Fl(n)p 1312 1447 15 2 v 17 w(au)e Fs(and)h Fl(na)p 1529 1447 V 17 w(ag)f Fs(ha)o(v)o(e)h(the)g(ph)o(ysical)0 1501 y(meaning)g(of)f(the)g(relativ)o(e)h(w)o(eigh)o(ts)e(for)h(the)g(t)o(w) o(o)f(di\013eren)o(t)i(neigh)o(b)q(or)g(atoms.)91 1565 y(This)i(is)f(a)g(particularly)i(simple)f(case)g(of)e(linear)j(in)o (terp)q(olation)f(b)q(ecause)g(the)f(n)o(um)o(b)q(ers)h Fl(n)p 1692 1565 V 17 w(au)f Fs(and)g Fl(n)p 1888 1565 V 17 w(ag)0 1619 y Fs(directly)j(a\013ect)e(the)h(amplitude)i(of)d(the) h(XAFS)g(signal,)i(so)d(that)g(using)i Fl(n)p 1333 1619 V 17 w(au)f Fs(and)g Fl(n)p 1533 1619 V 17 w(ag)g Fs(seems)g(natural)g (to)0 1674 y(asso)q(ciate)12 b(with)f(the)h(P)o(ath)f(P)o(arameter)f Fl(s02)p Fs(.)18 b(But)12 b(linear)h(in)o(terp)q(olation)f(only)h (adjusts)e(relativ)o(e)h(w)o(eigh)o(ts)f(of)g(t)o(w)o(o)0 1729 y(di\013eren)o(t)17 b Fr(feffit)h Fs(paths,)f(and)g(they)h(don't)e (necessarily)j(ha)o(v)o(e)d(to)h(b)q(e)g(in)o(terpreted)h(as)f(an)g (amplitude)h(factor.)0 1783 y(F)l(or)g(instance,)j(the)e(linear)h(in)o (terp)q(olation)g(tec)o(hnique)g Fe(c)n(ould)k Fs(b)q(e)19 b(used)h(to)e(measure)h(a)g(distance)g(c)o(hange,)h(b)o(y)0 1838 y(doing)f(t)o(w)o(o)e Fr(feff)j Fs(calculations)g(with)f(sligh)o (tly)h(di\013eren)o(t)e(distances,)i(and)f(linearly)h(com)o(bining)g (them.)30 b(The)0 1892 y(input)16 b(\014le)g(w)o(ould)g(lo)q(ok)g (something)f(lik)o(e)h(this:)113 1957 y Fc(\045)156 2011 y(nodegen)k(=)i(true)391 b(\045)21 b(set)g(all)g(values)g(of)g(n_degen) f(=)i(1.0)156 2066 y(set)87 b(s02)108 b(=)43 b(0.9)239 b(\045)21 b(set)g(s02)156 2120 y(guess)43 b(n_R1)86 b(=)43 b(2.0)239 b(\045)21 b(fit)g(the)g(number)g(of)g(neighbors)f(with)g(R1) 156 2175 y(set)87 b(n_total)20 b(=)h(12.0)239 b(\045)21 b(set)g(the)g(number)g(of)g(total)f(neighbors)156 2229 y(set)87 b(n_R2)f(=)21 b(n_total)f(-)i(n_R1)f(\045)g(the)g(number)g(of) g(neighbors)e(with)i(R2)113 2284 y(\045)178 2338 y(path)86 b(1)43 b(feff00R1.dat)178 2393 y(id)130 b(1)43 b(atoms)21 b(at)g(R1)178 2447 y(s02)108 b(1)43 b(s02)21 b(*)h(n_R1)113 2502 y(\045)178 2557 y(path)86 b(2)43 b(feff00R2.dat)178 2611 y(id)130 b(2)43 b(atoms)21 b(at)g(R2)178 2666 y(s02)108 b(2)43 b(s02)21 b(*)h(n_R2)113 2720 y(\045)156 2775 y(set)87 b(R_fitted)19 b(=)j(\()f(n_R1)g(*)h(R1)43 b(+)21 b(n_R2)g(*)h(R2)f(\))h (/n_total)113 2829 y(\045)p eop %%Page: 35 36 35 35 bop 0 100 a Fr(feffit)326 b Fg(Suggestions)16 b(for)e(Building)k (Ph)o(ysical)e(Mo)q(dels)g(with)f(FEFFIT)325 b Fn(35)p 0 118 1950 2 v 0 245 a Fs(Note)20 b(that)f(the)h(v)m(alues)h(of)e Fl(delr)h Fs(don't)f(c)o(hange)h(in)h(this)f(example,)i(but)e(that)f(w) o(e're)g(still,)j(in)f(some)f(sense,)0 300 y(measuring)c(a)f(distance)h (c)o(hange.)k(The)15 b(v)m(alue)i(of)d Fl(R)p 890 300 15 2 v 17 w(fitted)h Fs(will)i(giv)o(e)e(the)g(resulting)i(v)m(alue)f (of)f(near)g(neigh)o(b)q(or)0 355 y(distance)g(and)f(will)h(b)q(e)g (written)f(to)f Fo(feffit.log)k Fs(ev)o(en)e(though)e(it's)h(not)f (actually)i(used)f(in)h(the)f(\014t.)19 b(Although)0 409 y(I)e(don't)f(recommend)h(this)f(as)h(a)f(general)h(w)o(a)o(y)e(to) h(measure)g(distance)i(\(the)e(P)o(ath)g(P)o(arameter)f Fl(delr)h Fs(is)h(easier)0 464 y(and)f(more)f(accurate)g(\),)f(this)i (do)q(es)g(illustrate)g(the)g(general)g(tec)o(hnique)h(of)d(linear)j (in)o(terp)q(olation)g(b)q(et)o(w)o(een)e(t)o(w)o(o)0 518 y Fo(feffnnnn.dat)22 b Fs(\014les,)e(that)e(has)h(sho)o(wn)f (itself)i(to)e(b)q(e)i(fairly)f(useful)h(in)f(lots)g(of)f(disordered)i (systems.)30 b(Tw)o(o)0 573 y(di\013eren)o(t)16 b(\\kno)o(wn")f Fr(feff)i Fs(calculations)g(are)e(done,)h(and)g(are)f(linearly)i(com)o (bined)g(b)o(y)f(adjusting)g(the)f(relativ)o(e)0 627 y(w)o(eigh)o(ts,)f(whic)o(h)j(go)d(in)i(the)f Fl(s02)g Fs(parameter,)f(and)i(whic)o(h)g(can)f(b)q(e)h(giv)o(en)g(some)e(ph)o (ysical)j(signi\014cance.)0 725 y Ff(B.6)90 b(Quadratic)21 b(In)n(terp)r(olation)91 790 y Fs(What)14 b(if,)g(for)g(some)g(reason,) g(y)o(ou)g(don't)f(trust)h(the)h(linear)g(com)o(bination)g(tec)o (hnique)h(to)d(giv)o(e)i(y)o(ou)f(a)g(go)q(o)q(d)0 845 y(enough)21 b(answ)o(er?)36 b(If)20 b(this)h(seems)g(far-fetc)o(hed,)g (let)g(me)f(sa)o(y)g(that)g(there)g(is)h(at)f(least)g(one)h(imp)q (ortan)o(t)f(case)0 899 y(where)13 b(it)g(is)g(kno)o(wn)g(to)f(b)q(e)i (unreliable)h(on)e(ph)o(ysical)h(grounds.)19 b(The)13 b(example)g(case)g(in)o(v)o(olv)o(es)h(fo)q(cused)f(m)o(ultiple)0 954 y(scattering)18 b(paths)h(where)f(the)h(photo-electron)g(scatters)f (at)g(angle)h(near)f(180)1386 937 y Fd(\016)1406 954 y Fs(.)30 b(The)19 b(analysis)g(c)o(hallenge)h(is)0 1008 y(to)g(measure)h(the)g(\\buc)o(kling")h(angle,)g(whic)o(h)g(is)f(ho)o (w)g(far)f(from)g(collinearit)o(y)j(the)e(three)f(atoms)g(are.)37 b(The)0 1063 y(complication)17 b(is)f(that)e(the)i(scattering)f (amplitude)i(for)e(suc)o(h)g(nearly-collinear)j(scattering)d(is)h(kno)o (wn)f(to)g(v)m(ary)0 1118 y(quadratically)j(with)f Fp(\022)q Fs(.)26 b(The)18 b(linear)g(in)o(terp)q(olation)g(tric)o(k)f(discussed) h(ab)q(o)o(v)o(e)f(is)g(liable)i(to)e(giv)o(e)g(p)q(o)q(or)g(results,)0 1172 y(unless)g(w)o(e)f(start)f(with)i(t)o(w)o(o)e Fr(feff)j Fs(calculations)f(with)g Fp(\022)q Fs('s)f(v)o(ery)g(close)h(to)f(the)g (righ)o(t)g(v)m(alue,)i(whic)o(h)f(isn't)f(v)o(ery)0 1227 y(useful.)26 b(The)18 b(solution)g(w)o(e)e(came)h(up)h(with)f (\(the)g(problem)h(w)o(e)e(used)i(this)f(on)g(w)o(as)g(mixtures)g(of)f (alaki-halide)0 1281 y(comp)q(ounds)c(and)g(is)g(discussed)h(b)o(y)e(F) l(renk)o(el,)i Fe(et)g(al.)19 b Fs(in)12 b(Ph)o(ys.)18 b(Rev.)i(B)11 b Fn(49)p Fs(,)i(p.)18 b(11662,)11 b(1994)f(w)o(as)h(to)g (extend)h(the)0 1336 y(linear)h(com)o(bination)g(of)f(t)o(w)o(o)f Fr(feff)i Fs(paths)f(to)f(the)i(quadratic)f(in)o(terp)q(olation)h(of)f (three)g Fr(feff)i Fs(paths.)k(Quadratic)0 1390 y(in)o(terp)q(olation)g (is)f(a)g(prett)o(y)f(standard)g(math)h(metho)q(d.)25 b(But)17 b(y)o(ou)f(ma)o(y)g(ha)o(v)o(e)h(to)f(blo)o(w)h(the)g(dust)g (o\013)f(of)g(some)0 1445 y(old)g(math)e(handb)q(o)q(ok)i(to)f(\014nd)h (it,)f(so)g(I'll)h(just)f(sp)q(ell)i(it)f(out)e(for)h(y)o(ou.)91 1511 y(T)l(o)h(do)g(this,)h(w)o(e)f(\014rst)g(need)h(to)f(mak)o(e)g(a)g (set)g(of)g Fo(feffnnnn.dat)k Fs(basis)c(functions)i(for)d(sligh)o(tly) j(di\013eren)o(t)0 1565 y(scattering)e(angles.)23 b(The)16 b(easiest)g(w)o(a)o(y)f(to)h(do)g(this)g(is)h(to)e(edit)i(the)f(\014le) h Fo(paths.dat)j Fs(output)c(b)o(y)g Fr(feff)p Fs(,)h(whic)o(h)0 1620 y(has)g(the)g(complete)h(path)f(geometry)f(for)h(eac)o(h)g(path.) 25 b(Finding)19 b(the)e(righ)o(t)g(path)g(in)h(this)g(\014le)g(isn't)f (to)q(o)f(hard,)0 1674 y(and)g(then)g(y)o(ou)g(can)g(edit)g(the)g(list) h(of)e(paths)h(to)f(mak)o(e)h(up)g(an)o(y)f(paths)h(y)o(ou)f(w)o(an)o (t.)21 b(So)16 b(y)o(ou)g(simply)h(pic)o(k)f(some)0 1729 y(go)q(o)q(d)e(\\basis")f(angles)h(for)g Fp(\022)h Fs(and)f(\014gure)g (out)f(where)h(the)g(atoms)f(are.)19 b(W)l(e)14 b(\014gured)g(that)f (the)h(buc)o(kling)h(angle)f Fp(\022)0 1783 y Fs(w)o(ould)i(b)q(e)g (around)f(5-10)433 1767 y Fd(\016)454 1783 y Fs(,)g(and)g(certainly)i (less)f(than)f(20)995 1767 y Fd(\016)1016 1783 y Fs(,)g(so)g(I)h(used)g (basis)g(angles)g(of)f(0,)g(4,)f(and)i(16)1773 1767 y Fd(\016)1793 1783 y Fs(.)21 b(Here's)0 1838 y(the)15 b(imp)q(ortan)o(t)g(part)g(of)f(the)i(do)q(ctored)f Fo(paths.dat)k Fs(\014le:)113 1916 y Fc(--------------)o(----)o(----)o(-----)o(----)o (----)o(----)o(----)o(-----)o(----)o(----)o(----)o(-----)o(---)134 1971 y(100)87 b(3)43 b(24.000)f(index,)21 b(nleg,)f(degeneracy,)f(r=)43 b(5.1053)200 2025 y(x)239 b(y)g(z)109 b(ipot)42 b(label)156 2080 y(5.105311)85 b(.000000)64 b(.000000)g(1)21 b('Br)86 b(')156 2134 y(2.552655)f(.000000)64 b(.000000)g(2)21 b('Rb)86 b(')178 2189 y(.000000)f(.000000)64 b(.000000)g(0)21 b('Br)86 b(')134 2244 y(104)h(3)43 b(24.000)f(index,)21 b(nleg,)f(degeneracy,)f(r=)43 b(5.1053)200 2298 y(x)239 b(y)g(z)109 b(ipot)42 b(label)156 2353 y(5.105311)85 b(.000000)64 b(.000000)g(1)21 b('Br)86 b(')156 2407 y(2.552655)f (.089141)64 b(.000000)g(2)21 b('Rb)86 b(')178 2462 y(.000000)f(.000000) 64 b(.000000)g(0)21 b('Br)86 b(')134 2516 y(116)h(3)43 b(24.000)f(index,)21 b(nleg,)f(degeneracy,)f(r=)43 b(5.1053)200 2571 y(x)239 b(y)g(z)109 b(ipot)42 b(label)156 2625 y(5.105311)85 b(.000000)64 b(.000000)g(1)21 b('Br)65 b(')156 2680 y(2.552655)85 b(.358752)64 b(.000000)g(2)21 b('Rb)86 b(')178 2734 y(.000000)f (.000000)64 b(.000000)g(0)21 b('Br)86 b(')113 2789 y(--------------)o (----)o(----)o(-----)o(----)o(----)o(----)o(----)o(-----)o(----)o(----) o(----)o(-----)o(---)p eop %%Page: 36 37 36 36 bop 0 100 a Fr(feffit)326 b Fg(Suggestions)16 b(for)e(Building)k (Ph)o(ysical)e(Mo)q(dels)g(with)f(FEFFIT)325 b Fn(36)p 0 118 1950 2 v 0 245 a Fs(Running)20 b(the)f(third)f(mo)q(dule)i(of)e Fr(feff)i Fs(will)g(then)e(create)g(the)h(\014les)g Fo(feff0100.dat)t Fs(,)f Fo(feff0104.dat)t Fs(,)h(and)0 300 y Fo(feff0116.dat)f Fs(for)c(the)h(angles)g(0,)f(4,)g(and)h(16)823 284 y Fd(\016)843 300 y Fs(.)20 b(I)14 b(c)o(hanged)h(the)g(path)f(indices)j (here)e(so)f(that)g Fr(feff)i Fs(w)o(ouldn't)0 355 y(o)o(v)o(erwrite)e (an)o(y)h(other)g(\014les,)g(and)h(so)e(the)h(angle)h(could)g(b)q(e)g (seen)f(in)h(the)f(\014le)h(name.)k(This)c(pro)q(cedure)g(needs)g(to)0 409 y(b)q(e)g(done)g(for)f(all)h(m)o(ultiple)h(scattering)f(paths)f(at) g(this)h(length,)f(not)h(just)f(this)h(3-leg)f(paths,)g(but)h(I'll)h (skip)f(o)o(v)o(er)0 464 y(the)e(rest)g(of)f(the)h(paths)g(for)f(the)h (sak)o(e)g(of)f(brevit)o(y)l(.)20 b(No)o(w)13 b(w)o(e're)h(ready)g(for) f(the)h(quadratic)g(in)o(terp)q(olation)h(inside)0 518 y Fo(feffit.inp)k Fs(to)c(measure)g(the)g(angle.)20 b(Here)c(it)f(is:) 91 595 y Fc(\045)156 650 y(set)87 b(s02)108 b(=)43 b(0.9)195 b(\045)22 b(set)f(the)g(value)f(of)i(s02)156 704 y(guess)43 b(theta)64 b(=)43 b(5)91 759 y(\045)156 813 y(set)g(theta1)f(=)h(0)156 868 y(set)g(theta2)f(=)h(4)156 922 y(set)g(theta3)f(=)22 b(16)91 977 y(\045)156 1031 y(set)43 b(t21)108 b(=)22 b(theta2)e(-)i(theta1)156 1086 y(set)43 b(t31)108 b(=)22 b(theta3)e(-)i(theta1)156 1140 y(set)43 b(t23)108 b(=)22 b(theta2)e(-)i(theta3)91 1195 y(\045)156 1250 y(path)f(100)43 b(feff0100.dat)156 1304 y(id)65 b(100)43 b(theta)20 b(=)44 b(0)65 b(feff)21 b(calculation)156 1359 y(amp)43 b(100)g(s02)21 b(*)g(\(theta)g(-)g(theta2\)*\(theta)e(-)i(theta3\))f(/)i(\()f(t21*t31) g(\))91 1413 y(\045)156 1468 y(path)g(104)43 b(feff0104.dat)156 1522 y(id)65 b(104)43 b(theta)20 b(=)44 b(4)65 b(feff)21 b(calculation)156 1577 y(amp)43 b(104)g(s02)21 b(*)g(\(theta)g(-)g (theta1\)*\(theta)e(-)i(theta3\))f(/)i(\()f(t21*t23)g(\))91 1631 y(\045)156 1686 y(path)g(116)43 b(feff0116.dat)156 1740 y(id)65 b(116)43 b(theta)20 b(=)i(16)43 b(feff)21 b(calculation)156 1795 y(amp)43 b(116)g(s02)21 b(*)g(\(theta)g(-)g (theta1\)*\(theta)e(-)i(theta2\))f(/)i(\(-t23*t31)e(\))91 1850 y(\045)0 1918 y Fs(This)14 b(sort)f(of)g(in)o(terp)q(olation)h(w)o (ould,)g(of)f(course)h(need)g(to)f(b)q(e)h(done)g(for)f(all)h(fo)q (cused)h(m)o(ultiple)g(scattering)e(paths)0 1972 y(at)i(this)g (distance)h(that)f(are)g(a\013ected)g(b)o(y)g(the)g(c)o(hange)g(in)h (buc)o(kling)h(angle.)91 2036 y(As)i(a)f(c)o(hec)o(k)h(of)g(this)g(pro) q(cedure)h(\(and)f(of)f(course,)h(an)o(ything)g(this)h(complicated)g (should)g(b)q(e)f(c)o(hec)o(k)o(ed\),)0 2091 y(y)o(ou)c(could)h(mak)o (e)f(paths)g(at)g(angles)h(ranging)f(from)g(0)g(to)g(20)1055 2074 y Fd(\016)1075 2091 y Fs(,)g(and)h(generate)f(mo)q(c)o(k)g Fp(\037)p Fs(\()p Fp(k)q Fs(\))g(data)g(\014les)h(for)f(eac)o(h)0 2145 y(of)f(these)h(kno)o(wn)f(distortions)g(\(b)o(y)g(running)i(the)e Fo(feffnnnn.dat)k Fs(\014le)e(y)o(ou)e(generate)g(for)g(eac)o(h)g (angle)h(through)0 2200 y Fr(feffit)f Fs(once)g(and)g(using)g(the)f Fp(k)q Fs(-space)h(output)f(as)g Fp(\037)p Fs(\()p Fp(k)q Fs(\)\).)19 b(Eac)o(h)13 b(of)g(these)h(\\data)e(\014les")j(can)e(then) h(b)q(e)g(\014t)f(using)0 2254 y(the)k Fo(feffit.inp)j Fs(ab)q(o)o(v)o(e,)c(where)h Fp(\022)h Fs(is)f(a)g(\014tting)f(v)m (ariable.)26 b(When)17 b(I)g(did)g(this,)g Fr(feffit)h Fs(got)e(the)g(righ)o(t)h(v)m(alue)0 2309 y(for)e Fp(\022)h Fs(to)f(within)h(1)327 2292 y Fd(\016)363 2309 y Fs(for)f(all)h(angles) f(b)q(elo)o(w)h(16)807 2292 y Fd(\016)828 2309 y Fs(.)p eop %%Page: 37 38 37 37 bop 0 100 a Fq(Appendix)24 b(C)1581 b Fn(37)p 0 118 1950 2 v 0 245 a Fm(Program)24 b(Notes)91 429 y Fs(This)15 b(app)q(endix)h(is)f(in)o(tended)h(for)e(those)h(who)f(w)o(an)o(t)f(or) h(need)i(to)e(deal)h(with)g(the)g(source)f(co)q(de)h(of)f Fr(feffit)p Fs(,)0 484 y(probably)f(to)f(c)o(hange)h(some)f(of)h(it)f (b)q(ecause)i(it)f(do)q(esn't)g(w)o(ork)e(on)i(their)g(mac)o(hine,)h (or)e(b)q(ecause)h(they'v)o(e)g(though)o(t)0 538 y(of)k(some)g(w)o(a)o (y)f(to)h(mak)o(e)g(the)g(co)q(de)h(b)q(etter)g(\014t)f(their)h(needs.) 27 b(If)18 b(y)o(ou)f(are)g(setting)g(out)g(to)g(c)o(hange)g(the)h (source)0 593 y(co)q(de,)d(this)h(app)q(endix)h(will)g(probably)f(not)e (b)q(e)i(nearly)g(enough)g(guidance,)g(so)e(feel)j(free)e(to)f(con)o (tact)h(me.)0 684 y Ff(C.1)91 b(Co)r(de)20 b(P)n(ortabilit)n(y)h(and)g (Co)r(de)f(Compilation)91 747 y Fs(The)h(1977)e(ANSI)i(Standard)f(for)g (F)o(OR)l(TRAN)h(has)g(b)q(een)g(follo)o(w)o(ed)g(closely)l(,)i(so)d (that)g Fr(feffit)h Fs(should)0 802 y(easily)g(compile)h(on)d(an)o(y)h (mac)o(hine)h(and)f(run)g(without)g(an)o(y)g(problems.)35 b(The)20 b(only)h(signi\014can)o(t)g(departures)0 856 y(from)g(F)o(OR)l(TRAN)h(77)e(are)h(the)h(assumption)f(of)g(the)h(ASCI) q(I)g(c)o(haracter)f(set)g(and)g(the)h(use)f(of)g Fl(INTEGER*2)0 911 y Fs(v)m(ariables)c(for)d(the)h(UWXAFS)g(binary)h(\014le)g (handling)h(routines.)91 975 y(There)g(are,)f(unfortunately)l(,)h(asp)q (ects)g(of)f(F)o(OR)l(TRAN)i(whic)o(h)f(are)g(mac)o(hine-)g(and)g (compiler-dep)q(endent)0 1029 y(b)o(y)h(design.)28 b(One)18 b(suc)o(h)g(asp)q(ect)g(o)q(ccurs)g(in)g Fr(feffit)h Fs(in)f(the)g(form)f(of)g(a)h(compiler-dep)q(enden)o(t)i(dimension)g (for)0 1084 y(the)14 b(\\w)o(ord-length")g(of)g(the)h(data)e(in)i(the)g (UWXAFS)f(binary)h(\014les.)20 b(The)15 b(co)q(de)g(cannot)f(easily)h (b)q(e)g(made)g(truly)0 1138 y(standard)10 b(without)h(signi\014can)o (t)g(c)o(hanges)g(to)f(the)g(UWXAFS)h(binary)g(\014le)h(handling)g (routines.)19 b(The)10 b(distributed)0 1193 y(co)q(de)19 b(will,)h(ho)o(w)o(ev)o(er,)d(w)o(ork)h(on)g(most)f(mac)o(hines,)i (with)g(the)f(notable)g(exception)h(of)f(a)g(V)l(ax.)28 b(Changing)19 b(the)0 1247 y(\014rst)d(executable)i(statemen)o(t)d(of)i Fr(feffit)g Fs(from)f Fl(vaxflg)23 b(=)h(.false.)15 b Fs(to)h Fl(vaxflg)23 b(=)h(.true.)16 b Fs(will)i(mak)o(e)e(the)0 1302 y(co)q(de)g(w)o(ork)e(on)h(a)g(V)l(ax.)91 1366 y(The)c(UWXAFS)f (binary)h(\014le)h(handling)g(routines)f(also)g(use)g(c)o(haracter)f (strings)g(whic)o(h)i(are)e(2048)g(c)o(haracters)0 1420 y(long.)21 b(Though)15 b(standard,)g(some)g(compilers)h(need)h(to)d(b)q (e)i(told)g(to)f(accept)g(c)o(haracter)g(strings)g(this)h(long.)21 b(The)0 1475 y(notable)15 b(example)h(of)e(suc)o(h)h(a)g(compiler)h(is) f Fr(xlf)g Fs(\(for)f(AIX,)h(IBM's)g(Unix)g(\015a)o(v)o(or\),)f(whic)o (h)h(needs)h(the)f(compiler)0 1529 y(switc)o(h)f(\\-qc)o(harlen=2048".) k(While)d(compiling)g(on)f(an)o(y)f(mac)o(hine,)h(w)o(e)f(recommend)h (including)i(some)d(form)f(of)0 1584 y(arra)o(y)i(b)q(ounds)h(c)o(hec)o (king.)21 b(And)15 b(if)g(y)o(ou)g(ha)o(v)o(e)f(an)o(y)h(problems)g (with)g(the)g(compilation,)h(it)f(ma)o(y)f(b)q(e)i(w)o(orth)o(while)0 1638 y(to)g(turn)h(o\013)f(compiler)i(optimization)f(\015ags.)25 b(There)17 b(ma)o(y)f(b)q(e)h(some)g(p)q(ersisten)o(t,)g(b)q(enign)h (compiler)g(w)o(arnings)0 1693 y(when)f(y)o(ou)f(compile)i Fr(feffit)p Fs(.)25 b(There)16 b(ma)o(y)g(b)q(e)h(an)g(\\inconsisten)o (t)g(v)m(ariable)h(t)o(yp)q(e")e(w)o(arning)h(in)g(the)g(routines)0 1747 y(from)g Fr(fftp)m(a)o(ck)h Fs(\(routines)g(with)g(names)g(lik)o (e)h Fr(p)m(assf3)f Fs(and)g Fr(cffti)p Fs(\).)27 b(There)18 b(ma)o(y)f(also)g(b)q(e)i(\\comparison)e(is)0 1802 y(alw)o(a)o(ys)d (false")i(w)o(arnings)f(when)g(using)h(f2c.)k(These)c(can)f(b)q(oth)g (b)q(e)h(safely)g(ignored.)91 1866 y(As)11 b(shipp)q(ed,)i Fr(feffit)f Fs(requires)g(ab)q(out)f(2)f(Mb)h(of)f Fe(available)k Fs(RAM.)d(Th)o(us,)g(it)h(ma)o(y)e(b)q(e)h(necessary)h(to)e(c)o(hange)0 1920 y(some)j(of)g(the)h(default)g(dimensions)h(when)f(putting)f Fr(feffit)i Fs(on)e(mac)o(hines)h(with)g(a)f(small)h(ab)q(out)g(memory) f(suc)o(h)0 1975 y(as)d(PC's.)18 b(Dimensions)12 b(of)e(all)i(arra)o (ys)d(are)i(set)f(in)i(parameter)e(statemen)o(ts,)g(so)g(c)o(hanging)h (them)g(means)f(c)o(hanging)0 2029 y(sev)o(eral)15 b(iden)o(tical)i (lines)g(of)e(co)q(de,)g(\(once)h(for)e(eac)o(h)h(of)g(the)h(principle) i(subroutines)e(of)e Fr(feffit)p Fs(\).)0 2120 y Ff(C.2)91 b(Adding)21 b(More)f(Data)g(T)n(yp)r(es)h(to)f(FEFFIT)91 2184 y Fs(If)13 b(the)h(t)o(w)o(o)e(data)g(\014le)j(formats)c (\(UWXAFS,)i(ASCI)q(I\))h(are)f(not)g(acceptable)h(or)f(con)o(v)o (enien)o(t)h(to)e(y)o(our)h(needs)0 2238 y(\(that)d(is,)i(if)f(y)o(ou)g (prefer)g(using)h(some)f(other)f(format\),)g(other)h(c)o(hoices)h (could)g(b)q(e)f(added)h(with)f(a)g(minimal)i(amoun)o(t)0 2293 y(of)k(co)q(ding.)27 b(The)18 b(input)g(and)g(output)f(of)g(data)g (\014les)h(is)g(fairly)g(w)o(ell-isolated,)h(with)f(subroutine)g Fr(inpd)o(a)m(t)g Fs(and)0 2347 y Fr(outd)o(a)m(t)f Fs(con)o(trolling)i (whic)o(h)f(data)f(format)f(to)h(use.)27 b(If)18 b(y)o(ou'd)f(lik)o(e)i (another)e(\014le)i(format)d(either)i(con)o(tact)f(us)0 2402 y(ab)q(out)f(it)h(or)f(follo)o(w)g(the)h(example)g(of)f(the)h (routines)g Fr(inpcol)f Fs(and)h Fr(outcol)p Fs(,)f(whic)o(h)h(read)g (and)f(write)h(\014les)g(in)0 2456 y(the)e(ASCI)q(I)i(column)f(data)e (format.)p eop %%Page: 38 39 38 38 bop 0 100 a Fq(Appendix)24 b(D)1579 b Fn(38)p 0 118 1950 2 v 0 245 a Fm(Sim)n(ultaneous)23 b(Fits)i(of)f(Multiple)h (Data)f(Sets)0 484 y Ff(D.1)111 b(Wh)n(y)22 b(read)e(this)h(app)r (endix?,)g(or)f(I'm)g(Sic)n(k)i(of)e(This)g(Do)r(cumen)n(t)91 548 y Fs(First)12 b(of)g(all,)i(do)e(not)g(read)g(this)h(app)q(endix)h (un)o(til)g(y)o(ou'v)o(e)e(written)g(and)h(used)g(y)o(our)f(o)o(wn)g Fo(feffit.inp)k Fs(\014les)0 602 y(for)g(at)f(least)i(3)e(systems.)23 b(I)17 b(don't)e(mean)h(this)h(to)f(b)q(e)h(condescending,)h(but)e (this)h(stu\013)e(is)i(going)f(to)g(get)g(uglier)0 657 y(than)g(the)f(examples)i(in)f(Chapter)f(6.)21 b(F)l(urthermore,)15 b(this)h(is)g(the)g(\014rst)f(release)i(of)e(these)h Fr(feffit)g Fs(features,)f(so)0 711 y(if)i(y)o(ou'v)o(e)f(read)h(this)g (far,)f(y)o(ou're)g(a)g(b)q(eta)h(tester!)24 b(This)17 b(app)q(endix)h(explains)h(ho)o(w)d(to)g(use)h(the)g(new)g(features,)0 766 y(and)e(the)h(problems)f(I'v)o(e)h(run)f(in)o(to)g(already)l(.)91 830 y(The)g(basic)g(idea)g(of)f(this)h(app)q(endix)i(is)e(to)f(\014t)g (more)g(than)h(one)f(data)g(set)h(at)f(the)g(same)g(time,)h(presumably) 0 884 y(constraining)i(ph)o(ysical)h(parameters)e(to)g(b)q(e)i(related) f(for)f(the)h(di\013eren)o(t)g(data)f(sets.)24 b(Although)17 b(lots)g(of)f(p)q(ossi-)0 939 y(bilities)i(come)e(to)f(mind)i(\(scans)e (on)h(the)f(same)h(sample)g(at)f(di\013eren)o(t)h(p)q(olarizations,)h (or)e(of)g(di\013eren)o(t)h(edges)g(in)0 993 y(the)e(same)f(material,)h (etc.\))19 b(I'm)14 b(going)f(to)g(restrict)h(the)f(discussion)j(here)e (to)f(the)h(temp)q(erature)f(dep)q(endence)j(of)0 1048 y(a)e(single)i(sample.)k(This)15 b(should)g(b)q(e)h(a)e(fairly)h(ob)o (vious)f(and)h(familiar)g(use)g(of)f(m)o(ultiple)i(data)e(sets.)19 b(Y)l(ou)c(should)0 1102 y(ha)o(v)o(e)i(the)g(example)h(Cu)f(data)f(at) g(10K,)h(50K,)f(and)h(150K,)f(and)i(the)f(example)h Fo(feffit.inp)i Fs(discussed)f(later)0 1157 y(in)d(this)g(app)q(endix.)21 b(If)16 b(y)o(ou)f(don't,)f(con)o(tact)g(me)i(and)f(I'll)h(get)f(them)g (to)g(y)o(ou.)91 1221 y(Once)20 b(w)o(e)f(start)e(to)i(think)g(ab)q (out)g(\014tting)g(more)g(than)g(one)g(data)f(set)h(at)f(a)h(time,)h (the)f(ph)o(ysical)h(mo)q(del)0 1275 y(w)o(e)e(w)o(an)o(t)f(to)g(\014t) h(the)h(data)e(with)i(will)g(almost)f(certainly)h(c)o(hange.)29 b(F)l(or)18 b(the)g(di\013eren)o(t)g(temp)q(eratures)g(of)g(the)0 1330 y(Cu)g(data,)g(w)o(e)g(should)i(use)e(the)h(same)f(v)m(alue)h(of)f Fp(S)900 1313 y Fk(2)897 1341 y(0)920 1330 y Fs(.)29 b(W)l(e)18 b(ma)o(y)g(w)o(an)o(t)f(to)h(use)g(the)h(same)f(v)m(alue)h (of)f Fp(R)p Fs(,)g(or)g(w)o(e)0 1384 y(ma)o(y)d(w)o(an)o(t)f(to)h(use) g(a)g(simple)i(mo)q(del)f(for)f(thermal)g(expansion.)22 b(The)15 b(Deb)o(y)o(e-W)l(aller)h(F)l(actors)f(will,)h(of)f(course,)0 1439 y(b)q(e)j(di\013eren)o(t)g(for)e(the)i(di\013eren)o(t)f(temp)q (eratures,)g(but)h(w)o(e)f(ma)o(y)g(w)o(an)o(t)f(to)g(use)i(just)f(one) h(Deb)o(y)o(e)f(T)l(emp)q(erature)0 1493 y(to)h(parameterize)g(them)g (all)h(instead)g(of)f(using)h(three)f(indep)q(enden)o(t)i(Deb)o(y)o (e-W)l(aller)f(F)l(actors.)28 b(Di\013eren)o(t)18 b Fp(E)1930 1500 y Fk(0)0 1548 y Fs(v)m(alues)i(migh)o(t)f(b)q(e)g(used,)h(but)f (the)f(data)h(ma)o(y)f(b)q(e)h(aligned)h(w)o(ell)g(enough)f(that)f (this)h(is)g(not)g(necessary)l(.)31 b(The)0 1602 y(imp)q(ortan)o(t)13 b(p)q(oin)o(t)h(of)f(this)i(is)f(that,)f(with)g(m)o(ultiple)j(data)d (sets)g(w)o(e)h(can)f(reduce)i(the)e(total)g(n)o(um)o(b)q(er)h(of)g(v)m (ariables)0 1657 y(used)h(in)h(the)f(\014t)g(all)h(the)f(data)f(sets,)g (and)h(therefore)g(mak)o(e)f(b)q(etter)h(measuremen)o(ts)f(of)h(them.)k (But)c(in)h(order)f(to)0 1711 y(reduce)h(the)f(n)o(um)o(b)q(er)h(of)f (v)m(ariables,)h(it)f(is)h(imp)q(ortan)o(t)f(to)f(rethink)i(the)g(mo)q (del)g(used)f(to)g(\014t)g(the)g(XAFS.)0 1798 y Ff(D.2)111 b(The)20 b Fo(feffit.inp)25 b Ff(\014le,)20 b(or)h(Think)f(Lo)r(cally) -5 b(,)20 b(Fit)g(Globally)91 1861 y Fs(OK,)15 b(once)h(w)o(e)f(w)o(an) o(t)f(to)g(\014t)h(m)o(ultiple)i(data)d(sets,)h(ho)o(w)f(do)h(w)o(e)g (do)g(it?)21 b(The)16 b(simplest)g(thing)f(w)o(ould)h(b)q(e)g(to)0 1916 y(just)f(app)q(end)h(the)g Fo(feffit.inp)j Fs(\014les)d(for)e(the) i(di\013eren)o(t)f(data)g(sets)f(together.)20 b(I'v)o(e)15 b(tried)g(to)g(mak)o(e)g(the)g(input)0 1970 y(\014le)i(as)e(close)i(to) e(this)h(as)g(p)q(ossible)i(but)e(there)g(are)f(some)h(imp)q(ortan)o(t) f(di\013erences.)23 b(While)17 b(it)g(migh)o(t)e(b)q(e)i(useful)0 2025 y(to)e(concatenate)h(the)g(di\013eren)o(t)g Fo(feffit.inp)k Fs(\014les)d(and)f(then)g(edit)h(the)f(result,)g(it)g(migh)o(t)g(b)q(e) h(just)e(as)h(easy)g(to)0 2080 y(start)g(o)o(v)o(er)f(with)i(a)g(go)q (o)q(d)g(editor)g(\()p Fe(i.e.)p Fs(,)f(one)h(with)g(cut)f(and)h (paste\).)24 b(Since)18 b(it's)f(alw)o(a)o(ys)f(imp)q(ortan)o(t)g(to)g (kno)o(w)0 2134 y(what)g(the)h(input)h(\014le)f(is)h(going)e(to)g(mak)o (e)h(the)f(program)g(do,)h(I)g(recommend)g(against)f(concatenation)h (of)f(\014les,)0 2189 y(for)e(the)g(simple)h(reason)f(that)f(it's)h(to) q(o)g(easy)g(to)f(mak)o(e)h(mistak)o(es)g(that)f(are)h(hard)g(to)g (\014nd.)20 b(I'm)14 b(telling)i(y)o(ou)e(this)0 2243 y(from)g(exp)q(erience.)91 2307 y(The)i(\014rst)g(di\013erence)i(is)f (that)e(y)o(ou)h(need)h(to)f(tell)h Fr(feffit)g Fs(when)g(to)f(stop)f (thinking)j(ab)q(out)e(one)h(data)e(set)0 2361 y(and)g(to)g(start)f (thinking)i(ab)q(out)g(the)f(next)g(set.)20 b(The)15 b(w)o(a)o(y)f(y)o(ou)h(do)g(this)h(is)g(to)e(put)i(the)f(line)182 2425 y Fl(next)23 b(data)g(set)0 2489 y Fs(b)q(et)o(w)o(een)17 b(the)g(information)f(for)g(eac)o(h)h(data)f(set.)24 b Fn(This)c(m)o(ust)e(o)q(ccur)i(on)f(its)g(o)o(wn)g(line)f Fs(This)f(line)h(breaks)0 2543 y(the)f(completely)g(free)g(format)e(of) h(the)h(single)g(data)f(set)g Fo(feffit.inp)t Fs(,)h(but)f(I)h(think)g (that)f(it's)g(not)h(to)q(o)e(big)i(of)0 2598 y(a)f(hardship.)24 b(It)16 b(just)g(means)g(y)o(ou)g(ha)o(v)o(e)f(to)h(group)g(the)g (\014le)h(according)g(to)e(eac)o(h)h(data)g(set,)g(whic)o(h)h(y)o(ou)f (w)o(ould)0 2652 y(almost)f(certainly)h(do)f(an)o(yw)o(a)o(y)l(.)91 2716 y(The)i(second)g(di\013erence)h(is)g(that)e(y)o(ou)g(ha)o(v)o(e)h (to)f(no)o(w)g(consider)i(whic)o(h)g(k)o(eyw)o(ord)e(parameters)g (a\013ect)g(the)0 2770 y(en)o(tire)k(\014t)f(\(a)f Fe(glob)n(al)g Fs(parameter\),)h(and)g(whic)o(h)h(a\013ect)f(only)g(one)h(data)e(set)h (\(a)f Fe(lo)n(c)n(al)g Fs(parameter\).)31 b(F)l(rankly)l(,)0 2825 y(some)14 b(of)f(this)h(is)h(just)e(arbitrary)l(,)g(and)h(y)o (ou're)f(just)h(going)g(to)f(need)i(to)e(remem)o(b)q(er)h(whic)o(h)h (are)e(lo)q(cal)i(and)f(whic)o(h)p eop %%Page: 39 40 39 39 bop 0 100 a Fr(feffit)480 b Fg(Sim)o(ultaneous)16 b(Fits)f(of)g(Multiple)i(Data)d(Sets)479 b Fn(39)p 0 118 1950 2 v 0 245 a Fs(are)17 b(global.)26 b(There)18 b(is)f(a)g(complete)h(list)g(at)f(the)g(end)h(of)f(this)g(section,)h (but)f(\014rst)g(let)h(me)f(giv)o(e)h(a)e(few)h(general)0 300 y(rules:)82 387 y(1)e(.)46 b(V)l(ariables)17 b(and)e (User-De\014ned)h(F)l(unctions)g(\(guesses)f(and)h(sets\))e(are)h (global.)82 457 y(2)g(.)46 b(P)o(ath)15 b(Indices)i(and)e(P)o(ath)g(P)o (arameters)f(are)g(lo)q(cal.)82 528 y(3)h(.)46 b(F)l(ourier)16 b(T)l(ransform)e(P)o(arameters)g(are)h(lo)q(cal.)0 642 y(It)h(is)g(imp)q(ortan)o(t)g(to)f(remem)o(b)q(er)h(that)f(lo)q(cal)i (parameters)e(are)g(di\013eren)o(t)h(for)g(eac)o(h)f(data)h(set.)21 b(The)16 b(default)h(for)0 696 y(eac)o(h)i(of)g(them)g(are)g(the)h (same)f(as)g(giv)o(en)g(in)i(c)o(hapter)e(3,)g(the)h(default)f(v)m (alue)i(is)f Fn(NOT)f Fs(the)h(v)m(alue)g(from)f(the)0 751 y(previous)d(data)e(set.)91 817 y(Y)l(ou)i(m)o(ust)f(mak)o(e)g (sure)h(that)e(the)i(v)m(ariables)h(and)f(user-de\014ned)h(are)e(w)o (ell-de\014ned)k(for)14 b(all)j(the)f(data)f(sets.)0 871 y(Remem)o(b)q(er)h(that)e(the)h(input)h(\014le)g(is)f(read)g(all)g (at)g(once,)g(so)f(that)g(if)h(a)g(v)m(alue)h(is)f(guessed)h(or)e(set)h (more)f(than)h(one)0 926 y(time)j(in)h(the)f(\014le,)h(the)f(last)g (de\014nition)i(is)e(used)h(for)e(the)h(en)o(tire)h(\014t.)28 b(F)l(or)17 b(example,)i(if)f(y)o(ou)g(w)o(an)o(t)f(to)g(set)h(the)0 980 y(temp)q(erature)d(to)f(10K)h(for)f(one)i(data)e(set,)g(50K)h(for)f (another,)h(and)g(150K)f(for)h(another,)f(y)o(ou)h(will)h(w)o(an)o(t)e (to)h(sa)o(y)0 1035 y(something)g(lik)o(e)182 1101 y Fl(set)23 b(t010)h(=)f(10)182 1167 y(set)g(t050)h(=)f(50)182 1233 y(set)g(t150)h(=)f(150)0 1299 y Fs(and)17 b(y)o(ou)g(most)f (certainly)j(do)e Fn(not)37 b Fs(w)o(an)o(t)16 b(to)h(sa)o(y)f Fl(set)24 b(temp)f(=)h(10)17 b Fs(for)f(the)h(10K)g(data,)g(then)g Fl(set)24 b(temp)f(=)0 1354 y(50)16 b Fs(for)g(the)h(50K)f(data,)g (then)h Fl(set)23 b(temp)h(=)f(150)16 b Fs(for)g(the)h(150K)f(data.)23 b(This)18 b(will)g(set)e(the)h(v)m(alue)h(of)e Fl(temp)g Fs(to)0 1408 y(150)e(for)h(the)g(whole)h(\014tting.)k(So)15 b(b)q(ew)o(are.)91 1474 y(The)h(fact)g(that)f(the)h(P)o(ath)f(Indices)j (and)f(P)o(arameters)d(are)i(lo)q(cal)h(parameters)e(requires)i(some)f (commen)o(t.)0 1529 y(Ev)o(en)g(though)f(y)o(ou)g(ma)o(y)g(w)o(an)o(t)f (to)h(use)h(the)g(same)f(set)g(of)g Fo(feffnnnn.dat)k Fs(\014les)e(for)e(eac)o(h)g(data)g(set)g(in)i(the)e(\014t,)0 1583 y(y)o(ou)h Fe(must)h Fs(explicitly)i(state)c(all)j(the)e(paths)g (that)g(are)g(used)h(for)f(eac)o(h)g(data)g(set.)23 b(Y)l(ou)17 b(do)f(not)g(need)h(to)f(w)o(orry)0 1638 y(ab)q(out)e(reusing)h(P)o (ath)f(Indices,)i(as)e(these)h(are)f(lo)q(cal.)21 b(So)14 b(P)o(ath)g(1)g(for)g(Data)f(set)h(1)g(can)h(b)q(e)g(the)f(same)h(as)f (P)o(ath)f(1)0 1692 y(for)i(data)f(set)h(2,)g(but)g(it)g(do)q(es)h(not) f(ha)o(v)o(e)f(to)h(b)q(e.)91 1758 y(The)h(rest)g(of)g(the)g(k)o(eyw)o (ords)g(are)g(not)g(so)f(w)o(ell)j(de\014ned,)f(so)f(here's)g(a)g (complete)h(list)g(\(b)q(eta)f(testers)g(-)g(an)o(y)0 1813 y(preferences)g(whic)o(h)g(of)f(these)g(are)g(lo)q(cal?\))22 b(:)133 1899 y Fn(Global)d(Keyw)o(ords)357 1970 y Fs(guess)269 b(set)320 b(end)327 b(next)15 b(data)f(set)357 2024 y(format)239 b(formin)246 b(formout)238 b(all)357 2079 y(rlast)284 b(mft\014t)263 b(mft)o(wrt)c(degen/no)q(degen)133 2150 y Fn(Lo)q(cal)20 b(Keyw)o(ords)357 2220 y Fs(data)284 b(title)296 b(out)331 b(w)o(eigh)o(t)357 2275 y(ksp)q(out)239 b(rsp)q(out)248 b(ksp\014t)287 b(rsp\014t)357 2329 y(kmin)274 b(kmax)267 b(kw)o(eigh)o(t)244 b(dk/dk1/dk2)357 2384 y(rmin)280 b(rmax)273 b(iwindo)267 b(sigdat/sigr)357 2438 y(path)282 b(id)339 b(s02)333 b(e0)357 2493 y(delr)298 b(sigma2)239 b(3rd)331 b(4th)357 2547 y(ei)341 b(sinqr)279 b(cosqr)294 b(dafs)0 2661 y(Besides)17 b(the)e(k)o(eyw)o(ord)g(phrase)g Fl(next)23 b(data)h(set)15 b Fs(to)f(separate)h(the)h(successiv)o(e)g (data)f(sets,)g(there)g(is)h(only)g(one)0 2716 y(new)k(k)o(eyw)o(ord)g (for)f(use)i(with)f(the)g(m)o(ultiple)i(data)e(sets.)34 b(This)21 b(is)g(the)f(k)o(eyw)o(ord)f Fl(weight)h Fs(whic)o(h)h(giv)o (es)f(the)0 2770 y(relativ)o(e)15 b(w)o(eigh)o(t)g(to)f(giv)o(e)i(to)e (eac)o(h)h(data)f(set.)20 b(The)15 b(default)h(v)m(alue)g(is)f(1.0)f (for)g(eac)o(h)h(data)g(set.)k(If,)c(for)f(example,)0 2825 y(y)o(ou)i(w)o(an)o(ted)g(to)g(giv)o(e)h(the)g(10K)f(Cu)g(data)g (t)o(wice)h(as)f(m)o(uc)o(h)h(w)o(eigh)o(t)f(as)g(the)h(50K)f(data,)g (then)h(y)o(ou)f(w)o(ould)h(just)p eop %%Page: 40 41 40 40 bop 0 100 a Fr(feffit)480 b Fg(Sim)o(ultaneous)16 b(Fits)f(of)g(Multiple)i(Data)d(Sets)479 b Fn(40)p 0 118 1950 2 v 0 245 a Fs(sa)o(y)15 b Fl(weight)23 b(=)h(2)16 b Fs(for)f(the)h(10K)g(data.)22 b(The)16 b(mathematical)g(e\013ect)g (of)f Fl(weight)g Fs(on)h(the)g(\014t)g(will)i(b)q(e)e(discussed)0 300 y(in)g(the)f(next)h(section.)0 410 y Ff(D.3)111 b(Matt)20 b(ran)n(ts)h(ab)r(out)f(Information)f(Theory)-5 b(,)21 b(or)f(It's)g(Only)h(Noise)91 480 y Fs(Ev)o(en)14 b(though)h(\014tting) g(m)o(ultiple)h(data)e(sets)g(at)g(a)g(single)i(time)f(is)g(a)f(v)o (ery)g(desirable)i(thing)f(to)f(do,)g(it)h(turns)0 535 y(out)k(that)g(there's)h(sort)e(of)i(a)f(serious)h(problem)g(that)f(I)h (ha)o(v)o(en't)f(y)o(et)g(resolv)o(ed,)i(and)f(I'm)g(not)f(sure)h(a)f (go)q(o)q(d)0 589 y(solution)f(ev)o(en)f(exists.)26 b(The)17 b(problem)h(is:)24 b(Ho)o(w)16 b(do)h(y)o(ou)g(coun)o(t)f(the)i (information)f(for)f(more)h(than)f(one)i(data)0 644 y(set?)h(F)l(or)12 b(a)f(single)j(data)d(scan)h(the)g(n)o(um)o(b)q(er)h(of)e(indep)q (enden)o(t)k(p)q(oin)o(ts)d(is)h(prett)o(y)e(clearly)i(giv)o(en)f(as)g (in)h(Chapter)f(5.)0 714 y(This)18 b(ma)o(y)f(seem)h(lik)o(e)h(a)f(tec) o(hnicalit)o(y)h(that's)e(not)g(critical)i(to)f(getting)f(a)h(go)q(o)q (d)f(\014t,)h(and)g(it)g(actually)h(should)0 768 y(not)e(e\013ect)g (the)h(\014t)f(results.)27 b(But)17 b(b)q(ecause)i(w)o(e)e(don't)g(ha)o (v)o(e)g(a)g(go)q(o)q(d)g(estimate)h(of)f(the)g(measuremen)o(t)g (uncer-)0 823 y(tain)o(ties,)g(\(and)g(often)g(end)g(up)h(rescaling)g (the)f(rep)q(orted)g(uncertain)o(ties)h(b)o(y)1345 784 y Fj(p)p 1390 784 52 2 v 39 x Fp(\037)1418 810 y Fk(2)1418 834 y Fh(\027)1441 823 y Fs(\))f(it)g(do)q(es)g(end)h(up)f(a\013ecting) 0 877 y(the)i(uncertain)o(ties)h(in)g(the)f(\014t)g(results,)h(and)g (so)e(it)i(ends)f(up)h(b)q(eing)g(quite)g(imp)q(ortan)o(t)f(to)f(kno)o (w)h(ho)o(w)f(man)o(y)0 932 y(measuremen)o(ts)c(ha)o(v)o(e)g(b)q(een)i (made.)k(Mostly)14 b(b)q(ecause)h(it's)g(easy)f(to)g(do,)g Fr(feffit)h Fs(simply)h(adds)f(the)g(n)o(um)o(b)q(er)f(of)0 987 y(indep)q(enden)o(t)k(p)q(oin)o(ts)d(from)g(eac)o(h)g(data)f(set.) 91 1057 y(No)o(w)20 b(I'll)i(talk)f(ab)q(out)f(wh)o(y)h(simply)h (adding)f(the)g(indep)q(enden)o(t)i(data)d(p)q(oin)o(ts)h(from)f(eac)o (h)h(data)f(set)g(is)0 1111 y(probably)f(not)f(correct,)g(and)g(wh)o(y) g(I)g(don't)g(kno)o(w)g(of)g(a)f(b)q(etter)i(w)o(a)o(y)e(to)g(do)h(it.) 29 b(Y)l(our)19 b(job)f(as)f(a)h(b)q(eta)h(tester)0 1166 y(includes)j(reading)e(this)g(\(read:)29 b(su\013ering)20 b(through)f(m)o(y)g(ran)o(t\))g(and)g(scratc)o(hing)h(y)o(our)f(head)h (at)f(least)h(for)f(a)0 1220 y(while)g(ab)q(out)e(the)h(b)q(est)f(w)o (a)o(y)g(to)f(estimate)i(the)f(n)o(um)o(b)q(er)h(of)f(measuremen)o(ts)g (is,)h(and)f(just)g(what)g(exactly)h(the)0 1275 y(di\013eren)o(t)d (measuremen)o(ts)g(are)g(measuring.)20 b(I'm)15 b(op)q(en)h(to)f(an)o (y)g(and)g(all)h(suggestions.)91 1345 y(First)d(of)f(all,)i(it's)f (easy)g(to)f(tric)o(k)h Fr(feffit)h Fs(b)o(y)f(\014tting)g(the)h(same)e (data)h(set)f(t)o(wice.)20 b(Almost)13 b(ev)o(ery)o(one)g(w)o(ould)0 1399 y(sa)o(y)e(that)h(the)g(n)o(um)o(b)q(er)g(of)f(indep)q(enden)o(t)k (p)q(oin)o(ts)d(is)h(NOT)f(doubled.)20 b(But)12 b(what)g(if)g(y)o(ou)g (used)g(the)g(same)g(data)f(set)0 1454 y(t)o(wice)16 b(and)g(used)h(di\013eren)o(t)f Fp(k)q Fs(-w)o(eigh)o(ting)h(or)e (di\013eren)o(t)h(\014tting)g(regions?)24 b(Those)15 b(seem)i(lik)o(e)g(sligh)o(tly)g(di\013eren)o(t)0 1508 y(\014ts,)d(but)g(certainly)i(not)d(completely)j(di\013eren)o(t.)k(F)l (rom)13 b(a)h(practical)h(p)q(oin)o(t)g(of)f(view,)h(there)f(is)h(a)f (problem)h(with)0 1563 y Fr(feffit)f Fs(\014guring)f(out)g(whether)g(t) o(w)o(o)e(data)h(sets)h(are)g(equiv)m(alen)o(t)h(-)f(y)o(ou)g(could)g (simply)i(remo)o(v)o(e)d(one)h(data)f(p)q(oin)o(t.)91 1633 y(No)o(w)j(let's)h(sa)o(y)g(y)o(ou)g(ha)o(v)o(e)f(t)o(w)o(o)g (successiv)o(e)i(data)f(scans.)22 b(Are)16 b(these)g(really)h (di\013eren)o(t)g(measuremen)o(ts)e(of)0 1688 y(the)e(same)h (information?)20 b(Thinking)15 b(of)e(the)g(n)o(um)o(b)q(er)h(of)f (indep)q(enden)o(t)j(p)q(oin)o(ts)e(as)f(the)g(n)o(um)o(b)q(er)h(of)f (parameters)0 1742 y(y)o(ou)j(can)h(\014t,)f(it)g(seems)h(ridiculous)h (to)e(sa)o(y)g(that)f(y)o(ou)h(can)h(\014t)f(t)o(wice)h(as)f(man)o(y)g (parameters)f(as)h(y)o(ou)g(can)h(with)0 1797 y(just)f(one)g(data)g (scan.)23 b(But)16 b(thinking)i(ab)q(out)e(ho)o(w)g(w)o(ell)h(the)f (parameters)g(are)g(measured,)g(it)h(do)q(es)f(seem)h(that)0 1851 y(y)o(ou'v)o(e)d(made)g(b)q(etter)g(measuremen)o(ts)h(of)f(the)g (parameters.)19 b(A)14 b(single)i(scan)e(with)h(2)f(second)h(in)o (tegration)g(time)0 1906 y(should)g(probably)f(measure)f(the)h (parameters)e(as)i(w)o(ell)g(as)f(t)o(w)o(o)f(scans)i(with)g(1)f (second)h(in)o(tegration)f(times)h(eac)o(h.)0 1960 y(And)i(y)o(ou)f (should)h(also)f(get)g(the)g(same)g(uncertain)o(ties)i(\(ignoring)e (systematic)g(errors\).)k(But)d(ho)o(w)f(can)g Fr(feffit)0 2015 y Fs(p)q(ossibly)i(distinguish)g(t)o(w)o(o)d(successiv)o(e)i (scans)f(from)g(t)o(w)o(o)f(v)o(ery)h(di\013eren)o(t)g(scans?)91 2085 y(Next,)20 b(let's)g(sa)o(y)f(y)o(ou)g(ha)o(v)o(e)g(t)o(w)o(o)g (scans)g(at)g(t)o(w)o(o)f(di\013eren)o(t)i(temp)q(eratures.)33 b(Clearly)21 b(the)e(lo)q(cal)i(atomic)0 2139 y(structure)16 b(has)h(c)o(hanged,)g(so)f(some)g(of)g(the)h(information)g(ab)q(out)f (the)h(lo)q(cal)g(structure)g(is)g(probably)g(c)o(hanged,)0 2194 y(but)d(they're)g(still)h(not)e(completely)j(di\013eren)o(t)e(for) f(the)h(t)o(w)o(o)f(di\013eren)o(t)h(scans.)19 b(If)14 b(y)o(ou)g(w)o(ere)f(to)h(c)o(haracterize)g(the)0 2249 y(temp)q(erature)g(dep)q(endence)i(b)o(y)e(only)g(a)f(single)i(Deb)o(y) o(e)f(T)l(emp)q(erature,)g(then)g(it)g(could)h(b)q(e)f(argued)g(that)f (using)h(6)0 2303 y(scans)h(at)g(di\013eren)o(t)g(temp)q(eratures)h (only)f(impro)o(v)o(es)h(the)f(measuremen)o(t)g(of)g(\002)1365 2310 y Fh(D)1413 2303 y Fs(compared)h(to)e(using)i(5)f(scans,)0 2358 y(but)g(do)q(es)h(not)f(add)g(an)o(y)g(new)g(information.)91 2428 y(Finally)l(,)f(if)f(y)o(ou)e(measure)h(the)h(edges)f(of)g(t)o(w)o (o)e(di\013eren)o(t)j(elemen)o(ts)g(in)g(one)f(material)g(then)h(y)o (ou'v)o(e)e(certainly)0 2482 y(added)k(new)g(information,)g(but)g(y)o (ou'd)f(need)i(to)e(constrain)h(at)f(least)h(some)f(of)g(the)h (structural)g(parameters,)e(so)0 2537 y(the)j(information)f(is)i (probably)f(not)f(doubled.)23 b(An)o(yw)o(a)o(y)l(,)14 b(y)o(ou)i(get)f(the)h(p)q(oin)o(t)g(that)f(it's)g(not)g(easy)h(to)f (tell)h(ho)o(w)0 2591 y(m)o(uc)o(h)e(information)f(there)h(should)h(b)q (e)f(in)g(t)o(w)o(o)e(data)h(sets.)19 b(And)c(ev)o(en)f(if)g(it)f(w)o (ere)h(it)g(w)o(ould)g(b)q(e)g(easy)f(to)g(fo)q(ol)h(the)0 2646 y(program.)91 2716 y(With)d(the)h(imp)q(ortan)o(t)f(w)o(arning)g (that)f(the)i(amoun)o(t)e(of)h(information)h(has)f(a)g(large)g (uncertain)o(t)o(y)l(,)h(here's)f(ho)o(w)0 2770 y Fr(feffit)18 b Fs(ev)m(aluates)g(the)f(information)g(and)g(ho)o(w)g(the)g(\014tting) g(function)h(is)f(form)o(ulated)g(when)g(using)h(m)o(ultiple)0 2825 y(data)h(sets.)32 b(Refer)20 b(to)f(Chapter)g(5)g(for)g(bac)o (kground)h(information.)32 b(With)20 b(the)g(subscript)g Fp(j)i Fs(referring)d(to)g(a)p eop %%Page: 41 42 41 41 bop 0 100 a Fr(feffit)480 b Fg(Sim)o(ultaneous)16 b(Fits)f(of)g(Multiple)i(Data)d(Sets)479 b Fn(41)p 0 118 1950 2 v 0 245 a Fs(single)17 b(data)d(set,)h(the)g(n)o(um)o(b)q (er)g(of)g(indep)q(enden)o(t)j(p)q(oin)o(ts)d(that)g Fr(feffit)h Fs(uses)g(is)f(giv)o(en)h(b)o(y)248 424 y Fp(N)285 431 y Fk(idp)350 424 y Fs(=)398 366 y Fh(N)427 371 y Fa(data)413 381 y Fj(X)414 477 y Fh(j)r Fk(=1)501 424 y Fp(N)538 431 y Fk(idp)q Fh(j)622 424 y Fs(=)670 366 y Fh(N)699 371 y Fa(data)685 381 y Fj(X)687 477 y Fh(j)r Fk(=1)774 360 y Fj(\022)813 393 y Fs(2\()p Fp(k)878 400 y Fk(max)p Fh(j)975 393 y Fi(\000)11 b Fp(k)1045 400 y Fk(min)p Fh(j)1126 393 y Fs(\)\()p Fp(R)1197 400 y Fk(max)p Fh(j)1294 393 y Fi(\000)g Fp(R)1375 400 y Fk(min)p Fh(j)1456 393 y Fs(\))p 813 413 662 2 v 1129 455 a Fp(\031)1535 424 y Fs(+)56 b(2)1649 360 y Fj(\023)1689 424 y Fp(;)0 623 y Fs(and)17 b(the)h(\014tting)f(function)h(is)g(an)f (arra)o(y)f(with)i(real)g(and)f(imaginary)h(parts)e(of)h(the)h (di\013erence)g(b)q(et)o(w)o(een)g(data)0 678 y(and)d(mo)q(del)h(o)o(v) o(er)f(the)g(\014tting)g(range)g(for)g(eac)o(h)g(data)g(set,)312 813 y Fp(f)334 820 y Fh(ij)378 813 y Fs(=)e Fp(f)448 820 y Fh(j)468 813 y Fs(\()p Fp(R)521 820 y Fh(i)535 813 y Fs(\))f(=)19 b(~)-29 b Fp(\037)641 820 y Fk(data)t Fh(j)734 813 y Fs(\()p Fp(R)787 820 y Fh(i)801 813 y Fs(\))10 b Fi(\000)16 b Fs(~)-29 b Fp(\037)902 820 y Fk(mo)q(del)r Fh(j)1020 813 y Fs(\()p Fp(R)1073 820 y Fh(i)1087 813 y Fs(\))p Fp(;)98 b(R)1251 820 y Fk(min)p Fh(j)1345 813 y Fi(\024)13 b Fp(R)1428 820 y Fh(i)1455 813 y Fi(\024)g Fp(R)1538 820 y Fk(max)q Fh(j)1626 813 y Fp(:)0 967 y Fs(That)k(is,)h Fp(f)5 b Fs(\()p Fp(R)p Fs(\))17 b(can)h(b)q(e)g(though)o(t)f(of)g(as)g(a)g(matrix)g(con)o (taining)i(the)e(di\013erence)i(of)e(mo)q(del)h(and)g(data)f(for)g(the) 0 1021 y(di\013eren)o(t)k(data)g(sets.)37 b(\(The)21 b(ro)o(ws)e(of)i(this)h(matrix)e(w)o(ould)i(corresp)q(ond)f(to)f(the)h (di\013eren)o(t)h(data)e(sets,)i(and)0 1076 y(the)16 b(columns)h(to)e(the)h(di\013eren)o(t)h Fp(R)p Fs(-v)m(alues,)g(and)f (the)g(elemen)o(ts)g(of)g(the)g(matrix)g(w)o(ould)g(b)q(e)h(complex)g (n)o(um)o(b)q(ers)0 1131 y(represen)o(ting)g(the)f(di\013erence)i(b)q (et)o(w)o(een)e(mo)q(del)i(and)e(data.\))22 b(The)17 b Fp(\037)1209 1114 y Fk(2)1246 1131 y Fs(function)g(that)f(is)g (actually)h(minimized)0 1185 y(and)e(used)h(as)e(a)h(measure)g(of)f (the)h(go)q(o)q(dness)g(of)g(\014t)g(and)g(for)f(estimating)h (uncertain)o(ties)h(in)g(the)f(\014t)g(parameters)0 1240 y(is)h(then)f(giv)o(en)h(b)o(y)597 1436 y Fp(\037)625 1418 y Fk(2)658 1436 y Fs(=)706 1379 y Fh(N)735 1384 y Fa(data)721 1393 y Fj(X)723 1490 y Fh(j)r Fk(=1)810 1345 y Fj(0)810 1427 y(@)855 1406 y Fs(w)o(eigh)o(t)984 1413 y Fh(j)1003 1406 y Fp(N)1040 1413 y Fk(idp)q Fh(j)p 855 1426 257 2 v 931 1468 a Fp(N)968 1475 y Fh(j)987 1468 y Fp(\033)1015 1452 y Fk(2)1013 1480 y Fh(j)1134 1375 y(N)1163 1380 y Fa(j)1124 1393 y Fj(X)1128 1490 y Fh(i)p Fk(=1)1197 1400 y Fj(\000)1218 1436 y Fp(f)1245 1418 y Fk(2)1240 1448 y Fh(ij)1273 1400 y Fj(\001)1293 1345 y(1)1293 1427 y(A)1341 1436 y Fp(:)0 1619 y Fs(The)h(use)g(of)g Fl(weight)f Fs(should)i(no)o(w)f(b)q(e)g(sligh)o(tly)h(clearer.)26 b(Again,)17 b(the)g(problem)h(of)f(ho)o(w)f(man)o(y)h(indep)q(enden)o (t)0 1674 y(measuremen)o(ts)f(there)h(are)f(in)h(the)g(set)f(of)g (scans)g(do)q(es)h(not)f(seem)h(w)o(ell-de\014ned.)26 b(If)17 b(w)o(e)f(rescale)h(the)g(rep)q(orted)0 1728 y(errors)k(b)o(y)205 1690 y Fj(p)p 250 1690 52 2 v 38 x Fp(\037)278 1715 y Fk(2)278 1740 y Fh(\027)323 1728 y Fs(this)g(will)i(certainly)g(come)e(bac)o(k)g(to)g(haun)o(t)g(us.)38 b(One)22 b(option)g(w)o(ould)f(b)q(e)h(to)f(get)g(b)q(etter)0 1783 y(estimates)15 b(of)f(the)h(measuremen)o(t)f(uncertain)o(ties)i (\(or)e(impro)o(v)o(e)h Fr(feff)h Fs(!\))j(so)c(that)f(the)h(v)m(alue)h (of)e Fp(\037)1711 1766 y Fk(2)1747 1783 y Fs(w)o(ere)g(more)0 1837 y(reliable.)26 b(\(Though,)16 b(of)g(course,)g(to)g(kno)o(w)g(ho)o (w)g(go)q(o)q(d)h(the)f(\014t)h(is)g(w)o(e)f(w)o(ould)h(compare)f Fp(\037)1573 1821 y Fk(2)1610 1837 y Fs(to)g(the)h(n)o(um)o(b)q(er)f (of)0 1892 y(degrees)h(of)g(freedom)f(in)i(the)f(\014t,)g(so)f(w)o (e're)g(bac)o(k)h(where)g(w)o(e)g(started.\))23 b(But)17 b(let's)g(forget)f(ab)q(out)h(all)g(that)g(for)0 1946 y(no)o(w)e(and)g(lo)q(ok)h(at)e(an)h(example.)0 2064 y Ff(D.4)111 b(An)21 b(example,)g(or)f(Copp)r(er)h(Again?)91 2136 y Fs(OK,)13 b(at)f(this)i(p)q(oin)o(t)f(an)g(example)h(will)g (almost)f(certainly)h(help.)20 b(Because)14 b(I)f(ha)o(v)o(en't)f(gone) h(through)f(man)o(y)0 2191 y(examples)j(m)o(yself,)f(here's)h(an)f (example)h(of)f(the)g(Cu)h(data)e(at)h(10K,)g(50K)g(and)g(150K.)g(The)g (mo)q(del)h(I'm)f(using)h(is)0 2245 y(that:)82 2345 y(1)g(.)46 b Fp(S)210 2328 y Fk(2)207 2356 y(0)245 2345 y Fs(is)16 b(the)f(same)g(for)g(all)h(temp)q(eratures)82 2422 y(2)f(.)46 b(The)16 b(lattice)g(expansion)g(has)f(no)g(temp)q(erature)g(dep)q (endence.)82 2499 y(3)g(.)46 b(One)16 b(v)m(alue)h(of)e Fp(E)479 2506 y Fk(0)514 2499 y Fs(for)f(all)i(the)g(data)e(sets)h(is)h (go)q(o)q(d)f(enough.)82 2576 y(4)g(.)46 b(The)16 b(Deb)o(y)o(e-W)l (aller)g(F)l(actors)e(can)h(all)h(b)q(e)g(\014t)f(with)h(a)f(single)h (Deb)o(y)o(e)f(T)l(emp)q(erature.)0 2716 y(I)21 b(will)i(discuss)f(the) g(reliabilit)o(y)h(of)e(this)h(mo)q(del,)h(including)h(ho)o(w)c(to)h (test)f(whether)i(or)e(not)h(to)g(include)i(an)0 2770 y Fl(e0)18 b Fs(for)f(eac)o(h)i(data)e(set,)i(and)f(whether)h(ignoring) f(the)h(temp)q(erature)f(dep)q(endence)j(of)c(the)i(lattice)g(spacing)f (is)0 2825 y(appropriate.)i(But)15 b(\014rst,)g(here's)g(the)g(example) h Fo(feffit.inp)j Fs(\014le)d(to)f(\014t)g(all)h(three)f(Cu)h(data)e (sets.)p eop %%Page: 42 43 42 42 bop 0 100 a Fr(feffit)480 b Fg(Sim)o(ultaneous)16 b(Fits)f(of)g(Multiple)i(Data)d(Sets)479 b Fn(42)p 0 118 1950 2 v 91 245 a Fs(!)113 698 y Fc(!!!!!!!!!!!!!!)o(!!!!)o(!!!!)o (!!!)19 b(Start)h(of)h(FEFFIT.INP)42 b(!!!!!!!!!!!!!)o(!!!!!)o(!!!!)o (!)113 752 y(!)113 807 y(!)21 b(global)g(parameters:)243 861 y(format)g(=)g(ascii)238 b(!)22 b(format)e(for)h(all)g(files)g(in)g (problem)243 916 y(all)87 b(=)21 b(no)304 b(!)22 b(don't)e(write)h(all) g(outputs)113 970 y(!)113 1025 y(!)g(variables:)243 1080 y(guess)86 b(s02)195 b(=)131 b(0.8)243 1134 y(guess)86 b(thetad)129 b(=)i(200)86 b(!)43 b(Debye)21 b(Temperature)243 1189 y(guess)86 b(e0_1)173 b(=)131 b(0.)243 1243 y(set)f(e0_2)173 b(=)65 b(e0_1)243 1298 y(set)130 b(e0_3)173 b(=)65 b(e0_1)243 1352 y(guess)86 b(alpha_0)107 b(=)131 b(0.001)42 b(!)h(constant)20 b(lattice)g(expansion)243 1407 y(guess)86 b(alpha_temp)41 b(=)131 b(0.000)42 b(!)h(thermal)20 b(expansion)113 1461 y(!)h(set)g(parameters)243 1516 y(set)130 b(t010)173 b(=)109 b(10)243 1570 y(set)130 b(t050)173 b(=)109 b(50)243 1625 y(set)130 b(t150)173 b(=)87 b(150)113 1680 y(!-------------)o (----)o(----)o(-----)o(----)o(----)o(----)o(----)o(-----)o(----)o(----) o(----)o(-----)o(--)113 1734 y(!)113 1789 y(!)65 b(data)21 b(set)g(#1)113 1843 y(!)178 1898 y(title)42 b(=)i(3)21 b(data-set)f(fit)108 b(10K)21 b(Cu)g(data)113 1952 y(!)178 2007 y(data)64 b(=)22 b(cu10k.dat)433 b(!)43 b(input)21 b(data)g(file)f(name)178 2061 y(out)86 b(=)22 b(10k.dat)477 b(!)43 b(output)21 b(file)f(name)178 2116 y(rmin)64 b(=)22 b(1.75)86 b(rmax)g(=)22 b(3.25)151 b(!)43 b(fit)21 b(R-range)178 2170 y(kmin)64 b(=)22 b(2.0)108 b(kmax)86 b(=)22 b(19.0)151 b(!)43 b(FFT)21 b(parameters)178 2225 y(dk)108 b(=)22 b(2)152 b(kweight)20 b(=)i(2)217 b(!)43 b(FFT)21 b(parameters)113 2280 y(!)g(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)g(-)f(-)h(-)f (-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)g(-)f(-) h(-)113 2334 y(!)f(Use)g(the)g(0th)g(path)g(for)g(the)g(constant)f (amplitude)g(factor)g(and)h(e0.)178 2389 y(s02)108 b(0)43 b(s02)178 2443 y(e0)130 b(0)43 b(e0_1)178 2498 y(delr)86 b(0)43 b(reff)21 b(*)h(\(alpha_0)e(+)h(t010)g(*)g(alpha_temp)f(/)h (1000\))178 2552 y(sigma2)42 b(0)h(debye\(t010,)20 b(thetad\))113 2607 y(!)178 2661 y(path)86 b(1)43 b(feffcu01.dat)178 2716 y(id)130 b(1)43 b(single)21 b(scattering,)41 b(R)21 b(=)h(2.552,)e(Degen)h(=)g(12)113 2770 y(!)113 2825 y(!)p eop %%Page: 43 44 43 43 bop 0 100 a Fr(feffit)480 b Fg(Sim)o(ultaneous)16 b(Fits)f(of)g(Multiple)i(Data)d(Sets)479 b Fn(43)p 0 118 1950 2 v 113 225 a Fc(!)178 280 y(path)86 b(2)43 b(feffcu02.dat)178 334 y(id)130 b(2)43 b(single)21 b(scattering,)41 b(R)21 b(=)h(3.609,)e(Degen)h(=)43 b(6)113 389 y(!)178 444 y(path)86 b(5)43 b(feffcu03.dat)178 498 y(id)130 b(5)43 b(double)21 b(scattering,)41 b(R)21 b(=)h(3.828,)e(Degen)h(=)g (48)113 553 y(!)113 607 y(!-------------)o(----)o(----)o(-----)o(----)o (----)o(----)o(----)o(-----)o(----)o(----)o(----)o(-----)o(--)113 662 y(!)200 716 y(next)g(data)f(set)113 771 y(!)113 825 y(!-------------)o(----)o(----)o(-----)o(----)o(----)o(----)o(----)o (-----)o(----)o(----)o(----)o(-----)o(--)113 880 y(!)113 934 y(!)65 b(data)21 b(set)g(#2)113 989 y(!)178 1044 y(title)42 b(=)i(3)21 b(data-set)f(fit)108 b(50K)21 b(Cu)g(data)178 1098 y(data)64 b(=)22 b(cu50k.dat)433 b(!)43 b(input)21 b(data)g(file)f(name)178 1153 y(out)86 b(=)22 b(50k.dat)477 b(!)43 b(output)21 b(file)f(name)178 1207 y(rmin)64 b(=)22 b(1.75)86 b(rmax)g(=)22 b(3.25)151 b(!)43 b(fit)21 b(R-range)178 1262 y(kmin)64 b(=)22 b(2.0)108 b(kmax)86 b(=)22 b(19.0)151 b(!)43 b(FFT)21 b(parameters)178 1316 y(dk)108 b(=)22 b(2)152 b(kweight)20 b(=)i(2)217 b(!)43 b(FFT)21 b(parameters)113 1371 y(!)g(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)g(-)f(-)h(-)f (-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)g(-)f(-) h(-)113 1425 y(!)f(Use)g(the)g(0th)g(path)g(for)g(the)g(constant)f (amplitude)g(factor)g(and)h(e0.)178 1480 y(s02)108 b(0)43 b(s02)178 1534 y(e0)130 b(0)43 b(e0_2)178 1589 y(delr)86 b(0)43 b(reff)21 b(*)h(\(alpha_0)e(+)h(t050)g(*)g(alpha_temp)f(/)h (1000\))178 1644 y(sigma2)42 b(0)h(debye\(t050,)20 b(thetad\))113 1698 y(!)178 1753 y(path)86 b(1)43 b(feffcu01.dat)178 1807 y(id)130 b(1)43 b(single)21 b(scattering,)41 b(R)21 b(=)h(2.552,)e(Degen)h(=)g(12)113 1862 y(!)178 1916 y(path)86 b(2)43 b(feffcu02.dat)178 1971 y(id)130 b(2)43 b(single)21 b(scattering,)41 b(R)21 b(=)h(3.609,)e(Degen)h(=)43 b(6)113 2025 y(!)178 2080 y(path)86 b(5)43 b(feffcu03.dat)178 2134 y(id)130 b(5)43 b(double)21 b(scattering,)41 b(R)21 b(=)h(3.828,)e(Degen)h(=)g(48)113 2189 y(!)113 2244 y(!-------------)o (----)o(----)o(-----)o(----)o(----)o(----)o(----)o(-----)o(----)o(----) o(----)o(-----)o(--)221 2298 y(next)g(data)g(set)113 2353 y(!-------------)o(----)o(----)o(-----)o(----)o(----)o(----)o (----)o(-----)o(----)o(----)o(----)o(-----)o(--)113 2407 y(!)113 2462 y(!)65 b(data)21 b(set)g(#3)113 2516 y(!)178 2571 y(title)42 b(=)i(3)21 b(data-set)f(fit)86 b(150K)21 b(Cu)g(data)178 2625 y(data)64 b(=)22 b(cu150k.dat)411 b(!)43 b(input)21 b(data)g(file)f(name)178 2680 y(out)86 b(=)22 b(150k.dat)455 b(!)43 b(output)21 b(file)f(name)178 2734 y(rmin)64 b(=)22 b(1.75)86 b(rmax)g(=)22 b(3.25)151 b(!)43 b(fit)21 b(R-range)178 2789 y(kmin)64 b(=)22 b(2.0)108 b(kmax)86 b(=)22 b(19.0)151 b(!)43 b(FFT)21 b(parameters)178 2844 y(dk)108 b(=)22 b(2)152 b(kweight)20 b(=)i(2)217 b(!)43 b(FFT)21 b(parameters)113 2898 y(!)g(-)h(-)f(-)h(-)f(-)h(-)f(-)h (-)f(-)h(-)f(-)h(-)g(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-)f(-)h(-) f(-)h(-)f(-)h(-)f(-)h(-)g(-)f(-)h(-)113 2953 y(!)p eop %%Page: 44 45 44 44 bop 0 100 a Fr(feffit)480 b Fg(Sim)o(ultaneous)16 b(Fits)f(of)g(Multiple)i(Data)d(Sets)479 b Fn(44)p 0 118 1950 2 v 113 225 a Fc(!)21 b(Use)g(the)g(0th)g(path)g(for)g(the)g (constant)f(amplitude)g(factor)g(and)h(e0.)178 280 y(s02)108 b(0)43 b(s02)178 334 y(e0)130 b(0)43 b(e0_3)178 389 y(delr)86 b(0)43 b(reff)21 b(*)h(\(alpha_0)e(+)h(t150)g(*)g(alpha_temp)f(/)h (1000.\))178 444 y(sigma2)42 b(0)h(debye\(t150,)20 b(thetad\))113 498 y(!)178 553 y(path)86 b(1)43 b(feffcu01.dat)178 607 y(id)130 b(1)43 b(single)21 b(scattering,)41 b(R)21 b(=)h(2.552,)e (Degen)h(=)g(12)113 662 y(!)178 716 y(path)86 b(2)43 b(feffcu02.dat)178 771 y(id)130 b(2)43 b(single)21 b(scattering,)41 b(R)21 b(=)h(3.609,)e(Degen)h(=)43 b(6)113 825 y(!)178 880 y(path)86 b(5)43 b(feffcu03.dat)178 934 y(id)130 b(5)43 b(double)21 b(scattering,)41 b(R)21 b(=)h(3.828,)e(Degen)h(=)g (48)113 989 y(!!!!!!!!!!!!!!)o(!!!!)o(!!!!)o(!!!!)d(End)j(of)h (FEFFIT.INP)41 b(!!!!!!!!!!!!!!)o(!!!!!)o(!!!!)o(!)113 1044 y(!)91 1191 y Fs(All)19 b(the)e Fl(set)g Fs(and)g Fl(guess)g Fs(statemen)o(ts)f(are)h(put)g(together,)g(at)g(the)g(top)g (of)g(the)g(\014le.)28 b(This)18 b(is)f(mostly)h(to)0 1246 y(k)o(eep)f(things)f(easier)h(to)f(decipher,)i(but)e(it)h(also)f (mak)o(es)g(it)g(easier)h(to)f(c)o(hange)g(the)g(details)i(of)d(the)i (mo)q(del)g(later)0 1300 y(on.)i(Also)c(notice)g(that)e(I'v)o(e)h(used) h(di\013eren)o(t)g(v)m(ariables)g(for)f(eac)o(h)g(data)f(set's)h Fp(E)1374 1307 y Fk(0)1408 1300 y Fs(,)g(but)g(I'v)o(e)g(used)h Fl(set)f Fs(to)f(mak)o(e)0 1355 y(them)i(all)h(b)q(e)g(the)f(same)g(n)o (um)o(b)q(er.)21 b(This)15 b(will)i(mak)o(e)e(it)g(easier)h(to)f(allo)o (w)g(them)g(eac)o(h)g(to)g(\015oat)f(indep)q(enden)o(tl)q(y)l(.)91 1418 y(I'v)o(e)k(used)g Fl(reff)f Fs(to)g(allo)o(w)h(a)f(simple)j (lattice)e(expansion)h(b)o(y)e(using)i(the)e(0th)h(path.)27 b(I'v)o(e)18 b(also)f(included)0 1473 y(the)e(p)q(ossibilit)o(y)h(of)e (a)h(temp)q(erature)f(dep)q(enden)o(t)i(\001)p Fp(R)p Fs(,)e(but)h(that)f(I'v)o(e)g(set)g(the)h(thermal)g(expansion)g(co)q (e\016cien)o(t)0 1528 y(to)g(zero,)f(at)h(least)g(for)g(no)o(w.)k(I'm)c (also)g(\014tting)h(the)f(Deb)o(y)o(e)g(T)l(emp)q(erature.)91 1591 y(If)c(y)o(ou)f(run)h(this)g Fo(feffit.inp)j Fs(\014le)e(as)e(giv) o(en,)h Fo(feffit.log)k Fs(should)c(include)i(these)e(lines)h(for)e (the)h(go)q(o)q(dness)0 1646 y(of)k(\014t,)f(b)q(est-\014t)i(v)m (alues,)g(and)f(estimated)h(uncertain)o(ties)g(in)g(the)f(b)q (est-\014t)h(v)m(alues:)113 1730 y Fc(--------------)o(----)o(----)o (-----)o(----)o(----)o(----)o(----)o(-----)o(----)o(----)o(----)o (-----)o(----)o(-)134 1785 y(fit)21 b(results,)f(goodness)g(of)i(fit,)e (and)h(error)g(analysis:)178 1839 y(number)f(of)i(data)e(sets)239 b(=)108 b(3)178 1894 y(independent)19 b(points)h(in)i(data)86 b(=)h(48)178 1948 y(number)20 b(of)i(variables)d(in)j(fit)86 b(=)108 b(5)178 2003 y(degrees)20 b(of)h(freedom)f(in)i(fit)108 b(=)87 b(43)178 2058 y(chi-square)433 b(=)65 b(1899.47558594)178 2112 y(reduced)20 b(chi-square)259 b(=)108 b(44.17385101)178 2167 y(feffit)20 b(found)h(the)g(following)f(values)g(for)h(the)g (variables:)265 2221 y(variable)259 b(best)21 b(fit)g(value)86 b(uncertainty)41 b(initial)20 b(guess)221 2276 y(s02)261 b(=)152 b(.91485572)e(.00145800)g(.80000001)221 2330 y(thetad)195 b(=)87 b(317.85824585)149 b(.47187614)85 b(200.00000000)221 2385 y(e0_1)239 b(=)152 b(.84959078)e(.01968322)g (.00000000)221 2439 y(alpha_0)173 b(=)130 b(-.00205574)150 b(.00003628)g(.00100000)221 2494 y(alpha_temp)107 b(=)152 b(.00108976)e(.00032104)g(.00000000)91 2661 y Fs(As)16 b(men)o(tioned)h(ab)q(o)o(v)o(e,)f(the)g(v)m(alue)h(of)f(the)g(n)o(um)o (b)q(er)h(of)e(indep)q(enden)o(t)k(p)q(oin)o(ts)d(in)h(the)g(data)e(is) i(somewhat)0 2716 y(susp)q(ect,)e(and)h(therefore)f(so)g(is)g(the)h(n)o (um)o(b)q(er)f(of)g(degrees)g(of)g(freedom)g(in)h(the)g(\014t.)j(Both)c (are)g(almost)g(certainly)0 2770 y(to)q(o)f(high,)i(but)f(it's)g(not)f (clear)i(ho)o(w)e(m)o(uc)o(h)h(to)q(o)g(high.)20 b(This)c(mak)o(es)e(a) h(n)o(umerical)h(assessmen)o(t)e(of)h(the)g(\014t)g(a)f(bit)0 2825 y(troubling.)20 b(\(It)12 b(also)h(means)g(that)f Fp(\037)628 2809 y Fk(2)628 2836 y Fh(\027)663 2825 y Fs(=)h(44)g(is)g(a)f(lo)o(w)o(er)h(b)q(ound.\))19 b(But)13 b(w)o(e)f(can)h(compare)g(t)o(w)o(o)e(di\013eren)o(t)i(mo)q(dels)p eop %%Page: 45 46 45 45 bop 0 100 a Fr(feffit)480 b Fg(Sim)o(ultaneous)16 b(Fits)f(of)g(Multiple)i(Data)d(Sets)479 b Fn(45)p 0 118 1950 2 v 0 245 a Fs(with)16 b(a)f(fair)g(amoun)o(t)g(of)g (con\014dence)h(b)o(y)g(sa)o(ying)f(that)g(an)o(y)g(mo)q(del)h(that)e (lo)o(w)o(ers)h Fp(\037)1447 229 y Fk(2)1447 257 y Fh(\027)1486 245 y Fs(is)h(an)f(impro)o(v)o(emen)o(t)g(o)o(v)o(er)0 300 y(the)j(other.)29 b(This)18 b(is)h(true)f(if)h(w)o(e)f(c)o(hange)g (what)g(the)g(v)m(ariables)h(are,)g(or)e(ev)o(en)i(if)f(w)o(e)g(c)o (hange)h(the)f(n)o(um)o(b)q(er)g(of)0 355 y(v)m(ariables.)j(Because)15 b Fp(\037)407 338 y Fk(2)407 366 y Fh(\027)444 355 y Fs(is)g(not)f(quite)h(correct,)e(mo)q(dels)j(whic)o(h)f(c)o(hange)f Fp(\037)1305 338 y Fk(2)1305 366 y Fh(\027)1342 355 y Fs(b)o(y)h(a)f(only)g(small)h(amoun)o(t)f(\(sa)o(y)l(,)f(a)0 409 y(few)g(p)q(ercen)o(t\))h(are)f(not)h(clearly)g(impro)o(v)o(emen)o (ts)g(\(w)o(e)f(could)h(at)f(this)h(p)q(oin)o(t)g(lapse)g(in)o(to)g(a)f (w)o(onderful)h(discussion)0 464 y(of)h(con\014dence)h(in)o(terv)m(als) h(and)e Fp(F)6 b Fs(-tests,)15 b(but)g(I'll)i(spare)e(y)o(ou)g(that)f (nigh)o(tmare\).)91 527 y(So)20 b(let's)g(just)g(pretend)h(for)e(the)i (momen)o(t)e(that)h Fp(\037)997 511 y Fk(2)997 539 y Fh(\027)1040 527 y Fs(is)h(correct,)f(and)h(then)f(use)h(the)1630 489 y Fj(p)p 1675 489 52 2 v 38 x Fp(\037)1703 514 y Fk(2)1703 539 y Fh(\027)1747 527 y Fs(tric)o(k)f(from)0 582 y(Chapter)15 b(5)g(to)f(rescale)i(the)f(uncertain)o(ties)i(in)f (the)f(v)m(ariables.)21 b(This)16 b(will)h(giv)o(e)136 664 y Fp(S)167 647 y Fk(2)164 675 y(0)265 664 y Fs(=)99 b(0.915)104 b Fi(\006)61 b Fs(0.010)14 b(,)136 718 y(\002)171 725 y Fh(D)265 718 y Fs(=)134 b(318)105 b Fi(\006)61 b Fs(3)15 b(,)136 773 y Fp(E)170 780 y Fk(0)265 773 y Fs(=)121 b(0.85)105 b Fi(\006)61 b Fs(0.13)14 b(,)136 827 y Fp(\013)165 834 y Fk(0)265 827 y Fs(=)61 b(-0.0021)104 b Fi(\006)61 b Fs(0.0002)14 b(,)136 882 y Fp(\013)165 889 y Fh(temp)265 882 y Fs(=)76 b(0.0011)104 b Fi(\006)61 b Fs(0.0021)91 973 y(F)l(rom)19 b(this)h(w)o(e)f(can)h(conclude)h(that) e Fp(\013)790 980 y Fh(temp)894 973 y Fs(is)h(consisten)o(t)g(with)g (zero,)g(and)g(that)e(w)o(e)i(could)g(probably)0 1027 y(impro)o(v)o(e)10 b Fp(\037)196 1011 y Fk(2)196 1039 y Fh(\027)230 1027 y Fs(b)o(y)g(remo)o(ving)g(it)h(from)f(the)g(\014t.) 18 b(Another)10 b(thing)h(to)f(notice)h(is)g(that)f(the)g(\014tted)h (Deb)o(y)o(e)f(T)l(emp)q(erature)0 1082 y(is)22 b(fairly)g(w)o(ell)h (estimated,)f(and)g(that)f(it)g(agrees)g(with)h(the)g(v)m(alue)h(giv)o (en)f(in)g(standard)f(textb)q(o)q(oks)g(\(\002)1865 1089 y Fh(D)1919 1082 y Fs(is)0 1136 y(t)o(ypically)15 b(rep)q(orted)e(as)g (315K\).)f(While)j(I)e(fully)i(ac)o(kno)o(wledge)e(the)h(criticism)g (that)f(Cu)g(is)h(an)f(easy)g(case,)g(I)h(w)o(an)o(t)0 1191 y(to)19 b(suggest)g(that)g(the)h(concept)g(for)f(a)g(Deb)o(y)o(e)h (T)l(emp)q(erature)f(for)g(a)h(single)h(b)q(ond)f(ma)o(y)f(b)q(e)h (useful)h(in)f(man)o(y)0 1245 y(materials,)e(not)e(just)h(monatomic)g (metals.)26 b(In)18 b(fact)f(the)g Fl(debye)g Fs(function)h(could)g(b)q (e)g(used)g(to)e(giv)o(e)i(di\013eren)o(t)0 1300 y(Deb)o(y)o(e)h(T)l (emp)q(eratures)g(to)f(di\013eren)o(t)i(b)q(onds)f(in)h(the)f(same)g (material.)32 b(Using)19 b(this)h(tec)o(hnique)g(ma)o(y)e(greatly)0 1355 y(impro)o(v)o(e)d(the)g(understanding)i(of)e(the)g(temp)q(erature) g(dep)q(endence)j(of)c(man)o(y)h(complex)h(systems.)91 1418 y(Here)j(are)g(some)g(suggestions)f(for)h(other)f(things)i(to)e (try)h(with)g(the)g(Cu)g(data.)31 b(First,)19 b(try)f(\014tting)i(with) 0 1473 y(three)15 b(di\013eren)o(t)g Fp(E)329 1480 y Fk(0)349 1473 y Fs('s.)20 b(This)15 b(should)h Fn(not)g Fs(impro)o(v)o(e)f Fp(\037)952 1456 y Fk(2)952 1484 y Fh(\027)975 1473 y Fs(,)f(but)h(see)h(for)e(y)o(ourself.)20 b(Y)l(ou)15 b(can)g(also)g(remo)o(v)o(e)g Fp(\013)1866 1480 y Fh(temp)0 1527 y Fs(from)f(the)i(\014t,)e(setting)i(it)f(to)g (either)h(0.0)e(or)h(0.0011.)91 1591 y(Second,)f(if)g(y)o(ou)f(examine) h(the)f Fo(feffit.log)18 b Fs(\014le)c(in)g(some)f(detail,)h(y)o(ou'll) g(notice)g(that)f(the)g(measuremen)o(t)0 1645 y(uncertain)o(t)o(y)k(is) g(rep)q(orted)g(as)f(b)q(eing)i Fe(smal)r(ler)e Fs(for)g(the)h(150K)f (data)g(than)g(for)g(the)h(10K)g(and)f(50K)h(data.)23 b(This)0 1700 y(is)c(a)e(p)q(eculiar)j(artifact)e(of)f(the)i(fact)e (that)h(the)g(measuremen)o(t)g(uncertain)o(t)o(y)g(is)g(estimated)h (from)e(the)h(high-)p Fp(R)0 1755 y Fs(region,)g(\(15)232 1747 y(\027)232 1755 y(A)f(to)g(25)403 1747 y(\027)403 1755 y(A\),)g(and)g(that)g(the)g(lo)o(w)g(temp)q(erature)g(Cu)g(data)g (is)g(so)g(go)q(o)q(d,)g(and)h(the)f(Deb)o(y)o(e-W)l(aller)0 1809 y(F)l(actors)12 b(so)h(small,)h(that)e(the)h(signal)h(is)g (considerably)h(larger)e(than)g(the)g(noise)h(in)g(the)f(high-)p Fp(R)h Fs(region.)19 b(Happily)0 1864 y(\(or)d(unhappily)j(dep)q (ending)g(on)d(y)o(our)h(p)q(oin)o(t)g(of)f(view\),)h(this)g(will)i (almost)d(nev)o(er)h(happ)q(en)h(for)e(an)o(y)g(real)h(data.)0 1918 y(Y)l(ou)i(could)g(set)f(all)i(the)e(v)m(alues)i(of)e Fl(sigdat)g Fs(to)f(b)q(e)j(equal.)30 b(This)19 b(will)h(giv)o(e)f (truly)g(equal)g(w)o(eigh)o(t)f(to)g(eac)o(h)g(of)0 1973 y(the)f(temp)q(eratures.)24 b(Using)18 b Fl(sigdat)d Fs(=)j(0.002)d(\(as)h(the)h(measuremen)o(t)f(uncertain)o(t)o(y)h(in)h Fp(\037)p Fs(\()p Fp(k)q Fs(\))e(\))h(seems)f(lik)o(e)i(a)0 2027 y(reasonable)e(v)m(alue.)21 b(This)15 b(will)i(actually)f (increase)g Fp(\037)920 2011 y Fk(2)920 2039 y Fh(\027)943 2027 y Fs(,)f(but)h(the)f(\014t)g(results)h(don't)e(c)o(hange)h(v)o (ery)g(m)o(uc)o(h.)91 2091 y(As)h(a)f(\014nal)h(suggestion,)g(include)i (the)e(rest)f(of)g(the)h(12)f(paths,)g(including)k(the)c(m)o(ultiple)j (scattering)d(ones,)0 2145 y(and)f(\014t)g(out)f(to)h(the)g(fourth)f (\\shell".)21 b(This)14 b(will)i(b)q(e)e(a)g(little)h(bit)g(of)e(w)o (ork,)g(but)h(will)i(probably)e(mak)o(e)g(y)o(ou)f(quite)0 2200 y(familiar)j(with)g(all)g(the)f(details)h(of)f(\014tting)g(m)o (ultiple)i(data)e(sets,)f(and)i(mak)o(e)e(y)o(ou)h(quite)h(sic)o(k)g (of)f(Cu)g(XAFS.)91 2414 y Fl(The)23 b(FEFFIT)g(document)g(is)h (finished.)784 2468 y(Have)f(a)h(nice)f(day.)p eop %%Trailer end userdict /end-hook known{end-hook}if %%EOF debian/python-ifeffit.manpages0000644000000000000000000000002211353423664013637 0ustar debian/gifeffit.1 debian/python-ifeffit.dirs0000644000000000000000000000002711353423664013012 0ustar usr/share/applications debian/ifeffit.manpages0000644000000000000000000000012011353423664012317 0ustar debian/ifeffit.1 debian/autobk.1 debian/feffit.1 debian/feff6.1 debian/diffkk.1 debian/source/0000755000000000000000000000000011353426603010471 5ustar debian/source/format0000644000000000000000000000001411353426603011677 0ustar 3.0 (quilt) debian/compat0000644000000000000000000000000211577406702010375 0ustar 8 debian/feff6.ps0000644000000000000000000051343111353423664010544 0ustar %!PS-Adobe-2.0 %%Creator: dvipsk 5.58f Copyright 1986, 1994 Radical Eye Software %%Title: feff6.dvi %%Pages: 30 %%PageOrder: Ascend %%BoundingBox: 0 0 612 792 %%DocumentPaperSizes: Letter %%EndComments %DVIPSCommandLine: dvips feff6 %DVIPSParameters: dpi=300, compressed, comments removed %DVIPSSource: TeX output 1996.08.11:1819 %%BeginProcSet: texc.pro /TeXDict 250 dict def TeXDict begin /N{def}def /B{bind def}N /S{exch}N /X{S N}B /TR{translate}N /isls false N /vsize 11 72 mul N /hsize 8.5 72 mul N /landplus90{false}def /@rigin{isls{[0 landplus90{1 -1}{-1 1} ifelse 0 0 0]concat}if 72 Resolution div 72 VResolution div neg scale isls{landplus90{VResolution 72 div vsize mul 0 exch}{Resolution -72 div hsize mul 0}ifelse TR}if Resolution VResolution vsize -72 div 1 add mul TR[matrix currentmatrix{dup dup round sub abs 0.00001 lt{round}if} forall round exch round exch]setmatrix}N /@landscape{/isls true N}B /@manualfeed{statusdict /manualfeed true put}B /@copies{/#copies X}B /FMat[1 0 0 -1 0 0]N /FBB[0 0 0 0]N /nn 0 N /IE 0 N /ctr 0 N /df-tail{ /nn 8 dict N nn begin /FontType 3 N /FontMatrix fntrx N /FontBBox FBB N string /base X array /BitMaps X /BuildChar{CharBuilder}N /Encoding IE N end dup{/foo setfont}2 array copy cvx N load 0 nn put /ctr 0 N[}B /df{ /sf 1 N /fntrx FMat N df-tail}B /dfs{div /sf X /fntrx[sf 0 0 sf neg 0 0] N df-tail}B /E{pop nn dup definefont setfont}B /ch-width{ch-data dup length 5 sub get}B /ch-height{ch-data dup length 4 sub get}B /ch-xoff{ 128 ch-data dup length 3 sub get sub}B /ch-yoff{ch-data dup length 2 sub get 127 sub}B /ch-dx{ch-data dup length 1 sub get}B /ch-image{ch-data dup type /stringtype ne{ctr get /ctr ctr 1 add N}if}B /id 0 N /rw 0 N /rc 0 N /gp 0 N /cp 0 N /G 0 N /sf 0 N /CharBuilder{save 3 1 roll S dup /base get 2 index get S /BitMaps get S get /ch-data X pop /ctr 0 N ch-dx 0 ch-xoff ch-yoff ch-height sub ch-xoff ch-width add ch-yoff setcachedevice ch-width ch-height true[1 0 0 -1 -.1 ch-xoff sub ch-yoff .1 sub]/id ch-image N /rw ch-width 7 add 8 idiv string N /rc 0 N /gp 0 N /cp 0 N{rc 0 ne{rc 1 sub /rc X rw}{G}ifelse}imagemask restore}B /G{{id gp get /gp gp 1 add N dup 18 mod S 18 idiv pl S get exec}loop}B /adv{cp add /cp X}B /chg{rw cp id gp 4 index getinterval putinterval dup gp add /gp X adv}B /nd{/cp 0 N rw exit}B /lsh{rw cp 2 copy get dup 0 eq{pop 1}{ dup 255 eq{pop 254}{dup dup add 255 and S 1 and or}ifelse}ifelse put 1 adv}B /rsh{rw cp 2 copy get dup 0 eq{pop 128}{dup 255 eq{pop 127}{dup 2 idiv S 128 and or}ifelse}ifelse put 1 adv}B /clr{rw cp 2 index string putinterval adv}B /set{rw cp fillstr 0 4 index getinterval putinterval adv}B /fillstr 18 string 0 1 17{2 copy 255 put pop}for N /pl[{adv 1 chg} {adv 1 chg nd}{1 add chg}{1 add chg nd}{adv lsh}{adv lsh nd}{adv rsh}{ adv rsh nd}{1 add adv}{/rc X nd}{1 add set}{1 add clr}{adv 2 chg}{adv 2 chg nd}{pop nd}]dup{bind pop}forall N /D{/cc X dup type /stringtype ne{] }if nn /base get cc ctr put nn /BitMaps get S ctr S sf 1 ne{dup dup length 1 sub dup 2 index S get sf div put}if put /ctr ctr 1 add N}B /I{ cc 1 add D}B /bop{userdict /bop-hook known{bop-hook}if /SI save N @rigin 0 0 moveto /V matrix currentmatrix dup 1 get dup mul exch 0 get dup mul add .99 lt{/QV}{/RV}ifelse load def pop pop}N /eop{SI restore userdict /eop-hook known{eop-hook}if showpage}N /@start{userdict /start-hook known{start-hook}if pop /VResolution X /Resolution X 1000 div /DVImag X /IE 256 array N 0 1 255{IE S 1 string dup 0 3 index put cvn put}for 65781.76 div /vsize X 65781.76 div /hsize X}N /p{show}N /RMat[1 0 0 -1 0 0]N /BDot 260 string N /rulex 0 N /ruley 0 N /v{/ruley X /rulex X V}B /V {}B /RV statusdict begin /product where{pop product dup length 7 ge{0 7 getinterval dup(Display)eq exch 0 4 getinterval(NeXT)eq or}{pop false} ifelse}{false}ifelse end{{gsave TR -.1 .1 TR 1 1 scale rulex ruley false RMat{BDot}imagemask grestore}}{{gsave TR -.1 .1 TR rulex ruley scale 1 1 false RMat{BDot}imagemask grestore}}ifelse B /QV{gsave newpath transform round exch round exch itransform moveto rulex 0 rlineto 0 ruley neg rlineto rulex neg 0 rlineto fill grestore}B /a{moveto}B /delta 0 N /tail {dup /delta X 0 rmoveto}B /M{S p delta add tail}B /b{S p tail}B /c{-4 M} B /d{-3 M}B /e{-2 M}B /f{-1 M}B /g{0 M}B /h{1 M}B /i{2 M}B /j{3 M}B /k{ 4 M}B /w{0 rmoveto}B /l{p -4 w}B /m{p -3 w}B /n{p -2 w}B /o{p -1 w}B /q{ p 1 w}B /r{p 2 w}B /s{p 3 w}B /t{p 4 w}B /x{0 S rmoveto}B /y{3 2 roll p a}B /bos{/SS save N}B /eos{SS restore}B end %%EndProcSet TeXDict begin 40258431 52099146 1000 300 300 (feff6.dvi) @start /Fa 31 122 df<14FE90380301801306EB0C03EB1C0191C7FC13181338A43803 FFFE3800700EA35CA213E0A25CA3EA01C01472A438038034141891C7FC90C8FCA25A12C6 12E65A12781925819C17>12 D45 D<1206120FA212061200AA12 30127812F0126008127C910D>58 D<1418A21438A21478A214B8EB0138A2EB023C141C13 04130C13081310A21320A2EB7FFCEBC01C1380EA0100141E0002130EA25A120C001C131E B4EBFFC01A1D7E9C1F>65 D<48B512F038003C00013813301520A35BA214081500495AA2 1430EBFFF03801C020A448485A91C7FCA348C8FCA45AEAFFF01C1C7E9B1B>70 D<3A01FFC3FF803A003C00780001381370A4495BA449485AA390B5FC3901C00380A44848 48C7FCA43807000EA448131E39FFE1FFC0211C7E9B1F>72 D83 D<001FB512C0381C070138300E0000201480126012405B1280A2000014005BA45BA45BA4 485AA41203EA7FFE1A1C799B1E>I<3901FF81FE39003E0078011C136015C0011E138090 380E0100EB0F026D5A5C1490EB03A014E06D5AA28013021304497EEB10701320EB603813 C0EB803C3801001C12020006131E121EB4EB7FC01F1C7E9B1F>88 D97 D<123F1207A2120EA45AA4EA39E0EA3A18EA3C0C12381270130EA3EAE0 1CA31318133813301360EA60C0EA3180EA1E000F1D7C9C13>I<13F8EA0304120EEA1C0E EA181CEA30001270A25AA51304EA60081310EA3060EA0F800F127C9113>II<13F8EA0704120CEA1802EA38041230EA7008EA7FF0 EAE000A5EA60041308EA30101360EA0F800F127C9113>IIIII108 D<391C1E078039266318C039 4683A0E0384703C0008E1380A2120EA2391C0701C0A3EC0380D8380E1388A2EC07081510 39701C032039300C01C01D127C9122>II<13F8EA030CEA 0E06487E1218123000701380A238E00700A3130EA25BEA60185BEA30E0EA0F8011127C91 15>I<380387803804C860EBD03013E0EA09C014381201A238038070A31460380700E014 C0EB0180EB8300EA0E86137890C7FCA25AA45AB4FC151A809115>I114 DI<12035AA3120EA4EAFFE0EA1C00A35AA45AA4 EAE080A2EAE100A2126612380B1A7C990E>I<381C0180EA2E03124EA2388E0700A2121C A2EA380EA438301C80A3EA383C38184D00EA0F8611127C9116>II<38 1E0183382703871247148338870701A2120EA2381C0E02A31404EA180C131C1408EA1C1E 380C26303807C3C018127C911C>I<38038780380CC840380870E012103820E0C0140012 00A2485AA4EA03811263EAE38212C5EA8584EA787813127E9113>I<381C0180EA2E0312 4EA2388E0700A2121CA2EA380EA4EA301CA3EA383CEA1878EA0FB8EA003813301370EAE0 605BEA81800043C7FC123C111A7C9114>I E /Fb 4 107 df0 D<1203A4EAC30CEAE31CEA7338EA1FE0EA0780A2EA1FE0EA7338EAE31CEAC30CEA0300A4 0E127D9215>3 D15 D<12C0B3B3A502297B9E0C>106 D E /Fc 77 123 df<126012F0AD12601200A4126012F0A212600417789614>33 DI37 D<1207487EEA18C0EA38E0A35B3839CF80138F381F1C 00121EA2EA0E38121EEA37701267EAE3F05B38E1C38013E3EA63F3383F3F00EA1E1E1117 7F9614>I<126012F012F812781218A31230A2126012C01280050C789614>I I<128012C01260123012381218121C120EA31207A9120EA3121C121812381230126012C0 1280081D7C9914>III<12 7012F812FCA2127C120C1218123012E012C0060A798414>II<12 7012F8A312700505798414>I<1306130EA2131CA21338A21370A213E0A2EA01C0A2EA03 80A3EA0700A2120EA25AA25AA25AA25AA25A0F1D7E9914>II< 1203A25A5A123F12F712471207AEEA7FF0A20C177C9614>III<137813 F8EA01B8A2EA0338A21206120E120C121C12381230127012E0B51280A238003800A548B4 FCA211177F9614>III<12E0EAFFFEA2EAE01C1338EA0030137013E013C01201 13801203A2EA0700A4120EA612040F187E9714>III<12 7012F8A312701200A6127012F8A312700510798F14>I61 D63 D65 DI<3801F180EA07FFEA0E1FEA1C071238EA7003A348C7FCA7387003 80A338380700121CEA0E0EEA07FCEA01F011177F9614>IIIII<38FE3F80A238380E00A8EA3FFEA2EA380EA938FE3F80 A211177F9614>IIIII<38FC1F80A2007C1300EA7637A4EA7777A2EA7367A3 13E7EA71C7A2EA7007A638F80F80A211177F9614>I<38FE3F80A2383E0E00123BA4138E 1239A213CEA31238A213EE136EA4133E12FEA211177F9614>III82 DI<387FFF80B5FCEAE1C3 A43801C000AFEA0FF8A211177F9614>I<38FE0FE0A238380380B0381C0700A2EA0E0EEA 07FCEA01F01317809614>I<38FC1F80A238380E00A3EA3C1EEA1C1CA46C5AA4EA0630EA 0770A3EA0360A213E0A26C5A11177F9614>I<38FC1F80A238700700A7EA31C6EA33E6EA 3BEE136EA5EA1B6CA2EA1A2CEA1E3CA311177F9614>II<38FC1F80A238380E00EA3C1EEA1C1CEA1E3CEA0E38A26C5AA2EA0360 13E0A26C5AA8EA07F0A211177F9614>II97 D<12FCA2121CA513F8EA1DFEEA1F07EA1E03001C1380EB01C0A6EB038000 1E1300EA1F0EEA1DFCEA0CF81217809614>II<137EA2130EA5EA07CEEA 0FFEEA1C3EEA301EEA700E12E0A61270EA301EEA383E381FEFC0EA07CF12177F9614>I< EA07E0EA0FF0EA1C38EA301CEA700CEAE00EA2EAFFFEA2EAE00012601270EA380EEA1C1E EA0FFCEA03F00F107E8F14>I<13FCEA01FEEA038EEA07041300A3EA7FFE12FFEA0700AC EAFFF8A20F177F9614>II<12FCA2121CA51378EA1DFEEA1F86EA1E07121CAA38FF8FE0A21317 809614>I<1206120FA21206C7FCA4B4FCA21207ACEAFFF8A20D187C9714>I<136013F0A2 13601300A4EA1FF0A2EA0070B2EA40E0EAE0C0EA7F80EA3F000C207E9714>I<12FCA212 1CA5EBFF80A2EB1C005B5B5BEA1DC0EA1FE0A2EA1E70EA1C38133C131C7F38FF1F80A211 17809614>IIIIIIIII<1206120EA4EA7FFC12FFEA0E00A8130EA3131CEA07F8EA01F00F157F9414> II<38FE3F80A2383C1E00EA1C 1CA36C5AA3EA0630EA0770A36C5AA311107F8F14>I<38FE3F80A238700700EA380EA3EA 39CEA3EA1B6C121AA3EA1E7CA2EA0E3811107F8F14>II<38FE3F80A238 1C0E005BA2120E5BA212071330A2EA0370A25B1201A25BA3485A12730077C7FC127E123C 11187F8F14>II E /Fd 62 122 df<90380FF83F90397FFDFFC03A01 F81FE3E03903E03F87EA07C0D80F801307ED03C06EC7FCA6B612FCA2260F801FC7FCB239 7FF0FFF0A223237FA221>11 DI<13181330136013C012 01EA0380EA0700A2120E121E121C123CA35AA412F85AAB7E1278A47EA3121C121E120E7E A2EA0380EA01C012001360133013180D317BA416>40 D<12C012607E7E121C7E7EA2EA03 8013C0120113E0A3EA00F0A413F81378AB13F813F0A4EA01E0A313C012031380EA0700A2 120E5A12185A5A5A0D317DA416>I<1238127C12FE12FFA2127F123B1203A31206A2120C 121C12181270122008117C8610>44 DI<1238127C12FEA3127C 123807077C8610>I<13FE3807FFC0380F83E0381F01F0383E00F8A248137CA312FC147E AD007C137CA36C13F8A2381F01F0380F83E03807FFC03800FE0017207E9F1C>48 D<13181378EA01F812FFA21201B3A7387FFFE0A213207C9F1C>II<13FE3807FFC0380F07E0381E03F0123FEB81F8A3EA1F0314F0120014E0EB07C0 EB1F803801FE007F380007C0EB01F014F8EB00FCA2003C13FE127EB4FCA314FCEA7E0100 7813F8381E07F0380FFFC03801FE0017207E9F1C>I<14E013011303A21307130F131FA2 1337137713E7EA01C71387EA03071207120E120C12181238127012E0B6FCA2380007E0A7 90B5FCA218207E9F1C>I<00301320383E01E0383FFFC0148014005B13F8EA33C00030C7 FCA4EA31FCEA37FF383E0FC0383807E0EA3003000013F0A214F8A21238127C12FEA200FC 13F0A2387007E0003013C0383C1F80380FFF00EA03F815207D9F1C>II<12601278387FFFFEA214FC14F8A214F038E0006014C038C0 0180EB0300A2EA00065B131C131813381378A25BA31201A31203A76C5A17227DA11C>I< 13FE3803FFC0380703E0380E00F05A1478123C123E123F1380EBE0F0381FF9E0EBFFC06C 13806C13C06C13E04813F0381E7FF8383C1FFCEA7807EB01FEEAF000143E141EA36C131C 007813387E001F13F0380FFFC00001130017207E9F1C>II<1238127C12FEA3127C12381200A81238127C12FEA3127C123807167C9510> I<1470A214F8A3497EA2497EA3EB067FA2010C7F143FA2496C7EA201307F140F01707FEB 6007A201C07F90B5FC4880EB8001A2D803007F14004880000680A23AFFE007FFF8A22522 7EA12A>65 D IIIIIIII76 DIIII82 D<3801FE023807FF86381F01FE383C007E007C131E0078130EA200F81306A27E1400B4FC 13E06CB4FC14C06C13F06C13F86C13FC000313FEEA003F1303EB007F143FA200C0131FA3 6C131EA26C133C12FCB413F838C7FFE00080138018227DA11F>I<007FB61280A2397E03 F80F00781407007014030060140100E015C0A200C01400A400001500B3A248B512F0A222 227EA127>II I<3A7FFFC1FFF8A23A03FC000C006C6C5B15386C6C13306D6C5A15E090383FC1C090381F E18002E3C7FCEB0FF7EB07FE6D5AA26D7E13008081497F14BF9038031FE0496C7E130E90 380C07F8496C7E1338496C7E90386000FF5B0001EC7F8049EB3FC03AFFFC03FFFEA22722 7FA12A>88 DI97 DIII<13FE3807FF80380F87C0381E01E0003E13F0EA7C0014F812FCA2B5FCA200FCC7FCA3 127CA2127E003E13186C1330380FC0703803FFC0C6130015167E951A>I I<3801FE0F3907FFBF80380F87C7381F03E7391E01E000003E7FA5001E5BEA1F03380F87 C0EBFF80D809FEC7FC0018C8FCA2121C381FFFE06C13F86C13FE001F7F383C003F48EB0F 80481307A40078EB0F006C131E001F137C6CB45A000113C019217F951C>II<121C12 3E127FA3123E121CC7FCA7B4FCA2121FB2EAFFE0A20B247EA310>I107 DI<3A FF07F007F090391FFC1FFC3A1F303E303E01401340496C487EA201001300AE3BFFE0FFE0 FFE0A22B167E9530>I<38FF07E0EB1FF8381F307CEB403CEB803EA21300AE39FFE1FFC0 A21A167E951F>I<13FE3807FFC0380F83E0381E00F0003E13F848137CA300FC137EA700 7C137CA26C13F8381F01F0380F83E03807FFC03800FE0017167E951C>I<38FF0FE0EB3F F8381FE07CEB803E497E1580A2EC0FC0A8EC1F80A29038803F00EBC03EEBE0FCEB3FF8EB 0FC090C8FCA8EAFFE0A21A207E951F>I114 DI<487EA41203A21207A2120F123FB5FCA2EA0F80ABEB8180A5 EB8300EA07C3EA03FEEA00F811207F9F16>I<38FF01FEA2381F003EAF147E14FE380F81 BE3907FF3FC0EA01FC1A167E951F>I<39FFE01FE0A2391F800700000F1306EBC00E0007 130C13E000035BA26C6C5AA26C6C5AA2EB7CC0A2137F6D5AA26DC7FCA2130EA21B167F95 1E>I<3AFFE3FF07F8A23A1F007800C09038807C01000F1580A23A07C07E030014DE5D39 03E1DF06148FD801F1138CEBF307A2D800FF13D8EBFE0315F890387C01F0A2013C5BEB38 00A225167F9528>I<39FFE07FC0A2390F801C006C6C5A6C6C5AEBF0606C6C5A3800F980 137F6DC7FC7F80497E1337EB63E0EBC1F03801C0F848487E3807007E000E133E39FF80FF E0A21B167F951E>I<39FFE01FE0A2391F800700000F1306EBC00E0007130C13E000035B A26C6C5AA26C6C5AA2EB7CC0A2137F6D5AA26DC7FCA2130EA2130CA25B1278EAFC381330 5BEA69C0EA7F80001FC8FC1B207F951E>I E /Fe 35 121 df<126012F0A2126004047C 830C>58 D60 D<130113031306A3130CA31318A31330A31360A213C0A3EA0180A3EA0300A3 1206A25AA35AA35AA35AA35AA210297E9E15>I<140CA2141CA2143C145CA2149E148EEB 010E1302A21304A213081310A2497EEB3FFFEB40071380A2EA0100A212025AA2001C1480 39FF803FF01C1D7F9C1F>65 D<903801F80890380E0618903838013890386000F0484813 70485A48C71230481420120E5A123C15005AA35AA45CA300701302A200305B00385B6C5B 6C136038070180D800FEC7FC1D1E7E9C1E>67 D<48B5128039003C01E090383800701538 153C151C5B151EA35BA44848133CA3153848481378157015F015E039070001C0EC0380EC 0700141C000E1378B512C01F1C7E9B22>I<48B512F839003C0078013813181510A35BA2 14081500495AA21430EBFFF03801C020A4390380404014001580A23907000100A25C1406 000E133EB512FC1D1C7E9B1F>I<903801F80890380E0618903838013890386000F04848 1370485A48C71230481420120E5A123C15005AA35AA2EC7FF0EC07801500A31270140E12 3012386C131E6C136438070184D800FEC7FC1D1E7E9C21>71 D<3A01FFC3FF803A003C00 780001381370A4495BA449485AA390B5FC3901C00380A4484848C7FCA43807000EA44813 1E39FFE1FFC0211C7E9B23>I78 D<3801FFFE39003C03C090383800E015F01570 A24913F0A3EC01E001E013C0EC0780EC1E00EBFFF03801C038140C140EA2EA0380A43807 001E1508A2151048130FD8FFE01320C7EA03C01D1D7E9B20>82 DI<3A 01FFC0FF803A001E003C00011C13306D13205D010F5B6D48C7FC1482EB038414CCEB01D8 14F05C130080EB0170EB0278EB04381308EB103CEB201CEB401EEB800E3801000F00027F 1206001E497E39FF803FF0211C7F9B22>88 D97 D<123F1207A2120EA45A A4EA39E0EA3A30EA3C1812381270131CA3EAE038A313301370136013C01261EA2300121E 0E1D7E9C12>III< EA01F0EA0708120CEA1804EA38081230EA7030EA7FC0EAE000A51304EA60081310EA3060 EA0F800E127E9113>IIIII107 DI<39381F81F0394E20C618394640E81CEB80F0EA8F 00008E13E0120EA2391C01C038A315703938038071A215E115E23970070064D830031338 20127E9124>II<13F8EA030CEA0E06487E1218 123000701380A238E00700A3130EA25BEA60185BEA30E0EA0F8011127E9114>I<380787 803809C8603808D03013E0EA11C014381201A238038070A31460380700E014C0EB0180EB 8300EA0E86137890C7FCA25AA4123CB4FC151A819115>I114 DI<13C01201A3EA0380A4EAFFF0EA0700A3120EA45AA4EA3820A21340 A2EA1880EA0F000C1A80990F>I<001C13C0EA27011247A238870380A2120EA2381C0700 A438180E20A3EA1C1E380C26403807C38013127E9118>II<001CEBC0 80392701C1C0124714C03987038040A2120EA2391C070080A3EC0100EA1806A2381C0E02 EB0F04380E13083803E1F01A127E911E>I<380787803808C8403810F0C03820F1E0EBE3 C03840E1803800E000A2485AA43863808012F3EB810012E5EA84C6EA787813127E9118> I E /Ff 68 124 df<90383FE3F83901F03F1C3903C03E3E0007137CEA0F80151C1500A5 B612C0A2390F807C00AE397FE1FF80A21F1D809C1C>11 DI<90 3801C070A349485AA490380701C0A490380E0380B71280A27E26001C07C7FCEB380EA549 5A007FB61280B7FCA22600E038C7FC48485AA448485AA4380701C0A321257D9C28>35 D<13201340EA0180120313001206120E5AA2123C1238A21278A312F85AA97E1278A31238 A2123C121CA27E12067E13801201EA004013200B297C9E13>40 D<7E1240123012381218 7E120E7EA213801203A213C0A313E01201A9120313C0A31380A212071300A2120E120C5A 1238123012405A0B297D9E13>I I<127012F812FCA3127C1204A21208A3121012201240060E7D850D>44 DI<127812FCA4127806067D850D>I48 D<1360EA01E0120F12FF12F31203B3A2387FFF80A2111B7D9A18>I< EA07F8EA1FFE38383F8038780FC0EAFC0714E01303A21278EA000714C0A2EB0F80EB1F00 131E13385B5B38018060EA03001206000813E0381FFFC05A5AB5FCA2131B7E9A18>III<38380180383FFF005B5B5B13C000 30C7FCA4EA31F8EA361E38380F80EA3007000013C014E0A3127812F8A214C012F038600F 8038381F00EA1FFEEA07F0131B7E9A18>I<137EEA03FF38078180380F03C0EA1E07123C 387C03800078C7FCA212F813F8EAFB0E38FA0780EAFC0314C000F813E0A41278A214C012 3CEB0780381E0F00EA07FEEA03F8131B7E9A18>I<1260387FFFE0A214C01480A238E003 00EAC0065B5BC65AA25B13E0A212015B1203A41207A66C5A131C7D9B18>III<127812FCA412781200A6127812FCA4127806127D910D>I61 D65 DI<90381FE0209038FFF8E03803F80F3807C003380F800148C7FC123E156012 7E127C00FC1400A8007C1460127E123E15C07E390F8001803907C003003803F80E3800FF FCEB1FE01B1C7D9B22>IIII<90380FF008 90387FFE383901FC07F83807E001390F80007848C7FC481438123E007E1418127C00FC14 00A6EC7FFFA2007CEB01F8127E123E123F7EEA0F80EA07E03801FC0739007FFE7890380F F818201C7D9B26>I<39FFFC3FFFA2390FC003F0AA90B5FCA2EBC003AC39FFFC3FFFA220 1C7E9B25>II<3807FFF0A238001F80B212 30127812FCA21400EA783EEA387CEA0FF0141C7F9B19>I76 DI<39FFE003FFA2390FF00030 7FEA0DFCEA0CFE137E7FEB1F8014C0EB0FE0EB07F01303EB01F814FCEB00FE147F143FEC 1FB015F0140F1407140314011400A2D8FFC013701530201C7E9B25>III82 D<3807F820381FFEE0EA3C07EA7801EA700012F01460A26C130012FEEAFFE0 EA7FFE6C7E1480000F13C06C13E0EA007FEB03F01301130012C0A214E07E38F001C0EAFC 0338EFFF00EA83FC141C7D9B1B>I<007FB512E0A238781F81007013800060146000E014 7000C01430A400001400B03807FFFEA21C1C7E9B21>I<39FFFC03FFA2390FC00030B312 0715606C6C13E03901F001C03900FC078090387FFE00EB0FF8201C7E9B25>I<3AFFFC01 FF80A23A0FC00018006D1338000714306D1370000314607F00015CA26C6C485AA2EBFE03 017E90C7FCEB7F07EB3F061486EB1F8CA2EB0FD8A214F86D5AA26D5AA26D5AA2211C7F9B 24>I<397FFE1FFEA23907F001803803F803000149C7FCEBFC066C6C5AEB7F1C6D5A14B0 EB1FE0130FA26D7E6D7E1307497EEB0CFEEB187EEB387F496C7E9038601FC013C000016D 7E48486C7EEB00033AFFF01FFF80A2211C7F9B24>88 DII97 DIIII<137F3801E3803803C7C0EA0787120FEB8380EB8000A5EAFFF8A2 EA0F80AEEA7FF0A2121D809C0F>I<3803F0F0380E1F38EA3C0F3838073000781380A400 381300EA3C0FEA1E1CEA33F00030C7FCA3EA3FFF14C06C13E014F0387801F838F00078A3 00701370007813F0381E03C03807FF00151B7F9118>II<121E123FA4121EC7FCA6127FA2121F AEEAFFC0A20A1E7F9D0E>I107 DI<39FF0FC07E903831E18F3A1F40F20780D9 80FC13C0A2EB00F8AB3AFFE7FF3FF8A225127F9128>I<38FF0FC0EB31E0381F40F0EB80 F8A21300AB38FFE7FFA218127F911B>II<38FF 3F80EBE1E0381F80F0EB0078147C143C143EA6143C147C1478EB80F0EBC1E0EB3F0090C7 FCA6EAFFE0A2171A7F911B>I114 DI<1203A45AA25AA2EA3FFC12 FFEA1F00A9130CA4EA0F08EA0798EA03F00E1A7F9913>I<38FF07F8A2EA1F00AC130112 0F380786FFEA01F818127F911B>I<38FFC1FCA2381F00601380000F13C0A23807C180A2 3803E300A213F7EA01F613FE6C5AA21378A2133016127F9119>I<39FF8FF8FEA2391F03 E030A3390F87F06013869038C6F8E03907CC78C0A23903FC7D80EBF83D143F3901F01F00 A20000131EEBE00EA21F127F9122>I<38FFC7FCA2381F81C0380F83803807C700EA03EE EA01FC5B1200137C13FEEA01DF38039F80EA070F380607C0380C03E038FF07FCA216127F 9119>I<38FFC1FCA2381F00601380000F13C0A23807C180A23803E300A213F7EA01F613 FE6C5AA21378A21330A25B1270EAF8E05BEAF9800073C7FC123E161A7F9119>I123 D E /Fg 54 124 df<49B4FC011F13C090387F81E0EBFC013901F807 F01203EA07F0A4EC01C091C8FCA3EC3FF8B6FCA33807F003B3A33A7FFF3FFF80A3212A7F A925>12 D<123C127FEAFF80A213C0A3127F123E1200A2EA0180A3EA0300A21206120E5A 5A12100A157B8813>44 DI<121C127FA2EAFF80A3EA7F00A212 1C09097B8813>I48 D<130E131E137EEA07FE12FFA212F81200B3ABB512FEA317277B A622>III<140FA25C5C5C5C5B A2EB03BFEB073F130E131C133C1338137013E0EA01C0EA038012071300120E5A5A5A12F0 B612F8A3C7EA7F00A890381FFFF8A31D277EA622>I<00181303381F801FEBFFFE5C5C5C 14C091C7FC001CC8FCA7EB7FC0381DFFF8381F80FC381E003F1208C7EA1F8015C0A215E0 A21218127C12FEA315C05A0078EB3F80A26CEB7F00381F01FE6CB45A000313F0C613801B 277DA622>II<1238123E003FB512F0A34814E015C0158015003870000EA25C485B5C5CC648 5AA2495A130791C7FC5B5B131E133EA2137E137CA213FCA41201A76C5A13701C297CA822 >III<121C127FA2EAFF80A3EA7F00A2121CC7FCA9121C12 7FA2EAFF80A3EA7F00A2121C091B7B9A13>I65 DI<91387FE0 03903907FFFC07011FEBFF0F90397FF00F9F9039FF0001FFD801FC7F4848147F4848143F 4848141F485A160F485A1607127FA290C9FC5AA97E7F1607123FA26C7E160E6C7E6C6C14 1C6C6C143C6C6C14786CB4EB01F090397FF007C0011FB512800107EBFE009038007FF028 297CA831>IIII<91387FE003903907FFFC07011FEBFF0F90397FF00F9F90 39FF0001FFD801FC7F484880484880484880485A82485A82127FA290CAFC5AA892B512F8 7E7F03001300123FA26C7EA26C7E6C7E6C7E6C7E6CB45B90387FF007011FB5129F0107EB FE0F9039007FF0032D297CA835>III76 DIIII82 D<9038FF80600003EBF0E0000F13F8381F80FD383F001F003E1307481303A200FC13 01A214007EA26C140013C0EA7FFCEBFFE06C13F86C13FE80000714806C14C0C6FC010F13 E0EB007FEC1FF0140F140700E01303A46C14E0A26C13076C14C0B4EB0F80EBE03F39E3FF FE0000E15B38C01FF01C297CA825>I<007FB71280A39039807F807FD87C00140F007815 07A20070150300F016C0A2481501A5C791C7FCB3A490B612C0A32A287EA72F>I86 D<3803FF80000F13F0381F01FC383F80FE147F801580EA1F00C7FCA4EB3FFF3801FC3FEA 0FE0EA1F80EA3F00127E5AA4145F007E13DF393F839FFC381FFE0F3803FC031E1B7E9A21 >97 DIIIII<9038FF80F00003EBE3 F8390FC1FE1C391F007C7C48137E003EEB3E10007EEB3F00A6003E133E003F137E6C137C 380FC1F8380BFFE00018138090C8FC1238A2123C383FFFF814FF6C14C06C14E06C14F012 1F383C0007007CEB01F8481300A4007CEB01F0A2003FEB07E0390FC01F806CB512003800 7FF01E287E9A22>II<1207EA0F80EA1FC0EA3FE0A3EA1F C0EA0F80EA0700C7FCA7EAFFE0A3120FB3A3EAFFFEA30F2B7EAA12>I108 D<26FFC07FEB1FC0903AC1FFC07FF0903AC307E0C1F8D8 0FC49038F101FC9039C803F20001D801FE7F01D05BA201E05BB03CFFFE3FFF8FFFE0A333 1B7D9A38>I<38FFC07E9038C1FF809038C30FC0D80FC413E0EBC80701D813F013D0A213 E0B039FFFE3FFFA3201B7D9A25>II<38FFE1FE9038EFFF809038FE0FE039 0FF803F09038F001F801E013FC140015FEA2157FA8157E15FEA215FC140101F013F89038 F807F09038FC0FE09038EFFF809038E1FC0001E0C7FCA9EAFFFEA320277E9A25>I<38FF C1F0EBC7FCEBC63E380FCC7F13D813D0A2EBF03EEBE000B0B5FCA3181B7F9A1B>114 D<3803FE30380FFFF0EA3E03EA7800127000F01370A27E00FE1300EAFFE06CB4FC14C06C 13E06C13F0000713F8C6FCEB07FC130000E0137C143C7E14387E6C137038FF01E038E7FF C000C11300161B7E9A1B>I<13E0A41201A31203A21207120F381FFFE0B5FCA2380FE000 AD1470A73807F0E0000313C03801FF8038007F0014267FA51A>I<39FFE07FF0A3000F13 07B2140FA2000713173903F067FF3801FFC738007F87201B7D9A25>I<39FFFC1FFEA339 07F003803803F8079038FC0F003801FE1E00005BEB7F3814F86D5A6D5A130F806D7E130F 497EEB3CFEEB38FFEB787F9038F03F803901E01FC0D803C013E0EB800F39FFF03FFFA320 1B7F9A23>120 D<39FFFC03FFA3390FF000F0000714E07F0003EB01C0A2EBFC03000114 80EBFE070000140013FFEB7F0EA2149EEB3F9C14FC6D5AA26D5AA36D5AA26D5AA25CA213 07003890C7FCEA7C0FEAFE0E131E131C5BEA74F0EA3FE0EA0F8020277F9A23>I123 D E /Fh 41 122 df<12E0A312601240A312C003087C820C>44 DI<5A1207123FB4FC12C71207B3A3EAFFF8A20D1C7C9B15>49 DII53 D56 DI<131C133EA2132E1367A2EBE78013C713C300017F1383138100037F1301 486C7EA21206000E1378380FFFF8A2381C003CA2121800387FA248131F80126000E0EB07 80191D7F9C1C>65 D67 DIII< 00FCEB07E0A300EE130DA300E71319A3EB803900E31331EBC071A200E11361A2EBE0E1A2 00E013C113F1EB7181A3EB3B01A3131EA313001B1D7C9C24>77 D<00FC1370A27E12EE12 EF12E7A2138012E313C0A2EAE1E0A212E013F013701378A2133CA2131C131E130EA2130F 130714F01303A2141D7C9C1D>I80 D83 D<00F01370B3A5007813E0A2383C01C0381E0380EA0F073807FE00EA01F8141E7C9C1D> 85 D<00F001F81370A3007801B81360D9019C13E0A3D83C03EB01C0141E140E001E1580 9038070F0313061407000F1500010E1387130C0007EB0386A2019C138E019813CE0003EB 01CCA339019000C801D013D801F013F85B00001470241D7F9C27>87 D<00F8130E007C131E003C5B6C13386C13785C380781E03803C1C0EA01C3EBE780D800F7 C7FC137E133E133CA2137E1377EBE780EA01E33803C1C0EB81E048C67E487F000E137848 7F003C133E487F00707F00F01480191D7F9C1C>I97 D<12E0ABEAE3E0EAEFF8EAFFFCEAF83EEAE01E130E1307A6130EEAF01EEAF83CEAFFF8EA EFF0EAE3E0101D7D9C15>II<1307ABEA07C7EA1FF7EA3FFFEA3C1FEA 7807127012E0A61270EA780FEA3C1FEA3FFFEA1FF7EA07C7101D7F9C15>II<13FC12011203EA0700120EA7EAFFE0A2EA0E00B00E1D809C0D>I<3807 C3C0EA0FFF5A38383800487EA56C5AEA3FF05BEA77C00070C7FCA2EA3FFC13FF481380EA 700738E001C0A3EAF003387C0F80383FFF006C5AEA07F8121B7F9115>I<12E0ABEAE3E0 EAEFF0EAFFF8EAF83CEAF01C12E0AD0E1D7D9C15>I<12F0A41200A71270B2041D7E9C0A> II<12E0B3AB031D7D 9C0A>108 D<38E3F03F39EFF8FF80D8FFFD13C039F81F81E038F00F00EAE00EAD1B127D 9122>IIII114 DI<121CA6EAFFE0A2EA1C00 AC1320EA1FF0120FEA07C00C187F970F>III121 D E /Fi 24 125 df<127012F8A312700505788416>46 D50 D<13F8EA03FC487EEA0F07381C3B80EA38FF12793873 C7C01383EAE701A73873838013C73879FF00EA38FEEA1C38380F03C0EA07FF6C1300EA00 FC12197E9816>64 D<1203EA0F80EA3FE0EAFDF8EAF078EA40100D067C9816>94 D97 D99 D<133FA31307A4EA03C7EA0F F748B4FCEA3C1F487EEA700712E0A6EA700F12786C5A381FFFE0EA0FF7EA07C713197F98 16>II<131E137F3801FF8013C7380383001380 A2EA7FFFB5FCA2EA0380ACEA7FFC487E6C5A11197F9816>I<3803E3C03807F7E0EA0FFF 381C1CC038380E00A56C5AEA0FF8485AEA1BE00038C7FC1218EA1FFC13FF481380387003 C038E000E0A4387001C0EA7C07383FFF80380FFE00EA03F8131C7F9116>I<12FCA3121C A41378EA1DFCEA1FFE130FEA1E07121CAA38FF8FE0139F138F13197F9816>I<1203EA07 80A2EA0300C7FCA4EAFF80A31203ACEAFFFC13FE13FC0F1A7C9916>I<13301378A21330 1300A4EA0FF8121F120FEA0038B3EA6070EAF0F0EAFFE0EA7FC0EA3F800D237E9916>I< 38F9C38038FFEFC0EBFFE0EA3C78A2EA3870AA38FE7CF8A31512809116>109 DIII<387F0FC038FF 3FE0EA7F7F3807F040EBC0005BA290C7FCA8EA7FFC12FF127F13127F9116>114 DI<12035AA4EA7FFFB5FCA20007C7FCA75B EB0380A3EB8700EA03FE6C5A6C5A11177F9616>II<38FF1FE0A338380380A4EA39F3A20019130013B3A3EA1DB7 1317EA1F1FEA0F1EEA0E0E13127F9116>119 D<387F1FC038FF9FE0387F1FC0381C0700 120E130EA212075BA2EA039CA21398EA01B8A2EA00F0A35BA3485A1279127BEA7F8090C7 FC123C131B7F9116>121 D<12E0B3AE0320779C16>124 D E /Fj 83 124 df11 D<137E3801C180EA0301380703C0120EEB018090 C7FCA5B512C0EA0E01B0387F87F8151D809C17>II<90383F07E03901C09C18380380F0D80701133C 000E13E00100131892C7FCA5B612FC390E00E01CB03A7FC7FCFF80211D809C23>I<1260 12F0A71260AD1200A5126012F0A21260041E7C9D0C>33 DI<000F14C0EA18803930600380 3970380700386027FB38E010065CA25CA25C5CEA602000705B38304180EA1881390F0303 C03900060620EC0C1090380C1C08EB1818EC380413301360A213C0A2EA01803903001808 141C0006EB0C1048EB06200004EB03C01E217E9E23>37 D<126012F012F812681208A312 10A2122012401280050C7C9C0C>39 D<1380EA0100120212065AA25AA25AA35AA412E0AC 1260A47EA37EA27EA27E12027EEA0080092A7C9E10>I<7E12407E12307EA27EA27EA37E A41380AC1300A41206A35AA25AA25A12205A5A092A7E9E10>I<1203A4EAC30CEAE31CEA 7338EA1FE0EA0780A2EA1FE0EA7338EAE31CEAC30CEA0300A40E127D9E15>I<1306ADB6 12E0A2D80006C7FCAD1B1C7E9720>I<126012F0A212701210A41220A212401280040C7C 830C>II<126012F0A2126004047C830C>I<130113031306A313 0CA31318A31330A31360A213C0A3EA0180A3EA0300A31206A25AA35AA35AA35AA35AA210 297E9E15>II<5A1207123F12C71207B3A5EAFFF80D 1C7C9B15>III<130CA2131C133CA2135C13DC139CEA011C120312021204120C120812101230122012 4012C0B512C038001C00A73801FFC0121C7F9B15>II<13F0EA030CEA0404EA0C0EEA181E1230130CEA7000A21260 EAE3E0EAE430EAE818EAF00C130EEAE0061307A51260A2EA7006EA300E130CEA1818EA0C 30EA03E0101D7E9B15>I<1240387FFF801400A2EA4002485AA25B485AA25B1360134013 C0A212015BA21203A41207A66CC7FC111D7E9B15>III<126012F0A212601200AA1260 12F0A2126004127C910C>I<126012F0A212601200AA126012F0A212701210A41220A212 401280041A7C910C>I61 D64 D<1306A3130FA3EB1780A2EB37C0 1323A2EB43E01341A2EB80F0A338010078A2EBFFF83802003CA3487FA2000C131F80001E 5BB4EBFFF01C1D7F9C1F>II<90381F8080EBE06138 01801938070007000E13035A14015A00781300A2127000F01400A8007014801278A21238 6CEB0100A26C13026C5B380180083800E030EB1FC0191E7E9C1E>IIII<90381F8080EB E0613801801938070007000E13035A14015A00781300A2127000F01400A6ECFFF0EC0F80 007013071278A212387EA27E6C130B380180113800E06090381F80001C1E7E9C21>I<39 FFF0FFF0390F000F00AC90B5FCEB000FAD39FFF0FFF01C1C7F9B1F>II<3807FF8038007C00133CB3127012F8A21338EA7078EA4070EA 30E0EA0F80111D7F9B15>I<39FFF01FE0390F000780EC060014045C5C5C5C5C49C7FC13 021306130FEB17801327EB43C0EB81E013016D7E1478A280143E141E80158015C039FFF0 3FF01C1C7F9B20>III< B4EB1FF0390F8003809038C00100120BEA09E0EA08F0A21378133C133E131E130F148113 07EB03C1EB01E114F113001479147D143D141FA2808080121CB46C7E1C1C7F9B1F>IIII I<3807E080EA1C19EA30051303EA600112E01300A36C13007E127CEA7FC0EA3FF8EA1FFE EA07FFC61380130FEB07C0130313011280A300C01380A238E00300EAD002EACC0CEA83F8 121E7E9C17>I<007FB512C038700F010060130000401440A200C014201280A300001400 B1497E3803FFFC1B1C7F9B1E>I<39FFF01FF0390F000380EC0100B3A26C130213800003 5BEA01C03800E018EB7060EB0F801C1D7F9B1F>I<39FFE00FF0391F0003C0EC01806C14 00A238078002A213C000035BA2EBE00C00011308A26C6C5AA213F8EB7820A26D5AA36D5A A2131F6DC7FCA21306A31C1D7F9B1F>I<3AFFE1FFC0FF3A1F003E003C001E013C13186C 6D1310A32607801F1320A33A03C0278040A33A01E043C080A33A00F081E100A39038F900 F3017913F2A2017E137E013E137CA2013C133C011C1338A20118131801081310281D7F9B 2B>I<39FFF07FC0390FC01E003807800CEBC00800035B6C6C5A13F000005BEB7880137C 013DC7FC133E7F7F80A2EB13C0EB23E01321EB40F0497E14783801007C00027F141E0006 131F001F148039FF807FF01C1C7F9B1F>I<39FFF003FC390F8001E00007EB00C06D1380 0003EB01006D5A000113026C6C5A13F8EB7808EB7C18EB3C10EB3E20131F6D5A14C06D5A ABEB7FF81E1C809B1F>I<387FFFF0EA7C01007013E0386003C0A238400780130F140013 1E12005B137C13785BA2485A1203EBC010EA0780A2EA0F00481330001E13205A14604813 E0EAF803B5FC141C7E9B19>I97 D<12FC121CAA137CEA1D87381E0180381C00C014E014601470A6146014E014C0381E0180 38190700EA10FC141D7F9C17>IIII<13F8EA018CEA071E1206EA0E0C1300A6EAFFE0EA0E00B0EA7F E00F1D809C0D>II<12FC121CAA137C1387EA1D03001E1380121CAD38 FF9FF0141D7F9C17>I<1218123CA21218C7FCA712FC121CB0EAFF80091D7F9C0C>I<13C0 EA01E0A2EA00C01300A7EA07E01200B3A21260EAF0C012F1EA6180EA3E000B25839C0D> I<12FC121CAAEB0FE0EB0780EB06005B13105B5B13E0121DEA1E70EA1C781338133C131C 7F130F148038FF9FE0131D7F9C16>I<12FC121CB3A9EAFF80091D7F9C0C>I<39FC7E07E0 391C838838391D019018001EEBE01C001C13C0AD3AFF8FF8FF8021127F9124>IIII<3803E080EA0E19EA1805EA3807EA7003A212E0 A61270A2EA38071218EA0E1BEA03E3EA0003A7EB1FF0141A7F9116>II I<1204A4120CA2121C123CEAFFE0EA1C00A91310A5120CEA0E20EA03C00C1A7F9910>I< 38FC1F80EA1C03AD1307120CEA0E1B3803E3F014127F9117>I<38FF07E0383C0380381C 0100A2EA0E02A2EA0F06EA0704A2EA0388A213C8EA01D0A2EA00E0A3134013127F9116> I<39FF3FC7E0393C0703C0001CEB01801500130B000E1382A21311000713C4A213203803 A0E8A2EBC06800011370A2EB8030000013201B127F911E>I<38FF0FE0381E0700EA1C06 EA0E046C5AEA039013B0EA01E012007F12011338EA021C1204EA0C0E487E003C138038FE 1FF014127F9116>I<38FF07E0383C0380381C0100A2EA0E02A2EA0F06EA0704A2EA0388 A213C8EA01D0A2EA00E0A31340A25BA212F000F1C7FC12F312661238131A7F9116>III E /Fk 3 102 df<9139FFC003FF0107141F495C495C4991B5FC903A7F80C1FE03903AFE0003F8 00495C4848495AA20003140FADB500FCEBFFF0A52603F800EBE000B3AE303C7FBB2F>11 D70 D101 D E end %%EndProlog %%BeginSetup %%Feature: *Resolution 300dpi TeXDict begin %%PaperSize: Letter %%BeginPaperSize: Letter /setpagedevice where { pop 1 dict dup /PageSize [ 612 792 ] put setpagedevice } { statusdict /lettertray known { statusdict begin lettertray end /letter where { pop letter } if } { /letter where { pop letter } { statusdict /setpage known { statusdict begin 612 792 0 setpage end } if } ifelse } ifelse } ifelse %%EndPaperSize %%EndSetup %%Page: 1 1 1 0 bop 0 99 a Fk(F)n(e\013)p 0 156 1950 12 v 14 213 a Fj(John)14 b(Rehr,)g Fi(jjr@phys.washin)o(gton.)o(edu)682 b Fj(v)o(ersion)14 b(6.01,)e(15)h(August,)h(1995)0 366 y Fh(Ab)i(initio)g(Multiple-Scattering)i(X-ra)o(y)e(Abso)o(rption)g (Fine)g(Structure)i(and)f(X-ra)o(y)e(Abso)o(rption)i(Nea)o(r)f(Edge)h (Structure)h(Co)q(de)0 422 y(Cop)o(yright)10 b(1992,1993,)d(FEFF)i (Project,)h(Depa)o(rtment)h(of)e(Physics,)h(FM-15)f(Universit)o(y)h(of) f(W)o(ashington,)i(Seattle,)g(W)m(A)e(98195)0 592 y Fg(Con)n(ten)n(ts)0 711 y Ff(1)38 b(Chapter)15 b(1:)21 b(Synopsis)14 b({)i(PLEASE)f(READ)h (THIS)g(ENTIRE)h(SECTION)475 b(3)0 831 y(2)38 b(Conceptual)14 b(description)1378 b(4)62 909 y Fj(2.1)42 b(Scattering)14 b(p)q(oten)o(tial)f(and)h(phase)h(shift)e(co)q(de,)i(POTPH)30 b(.)20 b(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.) f(.)g(.)h(.)f(.)g(.)g(.)h(.)66 b(4)62 988 y(2.2)42 b(P)o(ath)14 b(en)o(umeration,)e(P)m(A)m(THS)e(.)20 b(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.) h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h (.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)66 b(4)62 1066 y(2.3)42 b(Scattering)14 b(amplitude)e(and)i(other)g(XAFS)h (parameter)e(calculation,)g(GENFMT)21 b(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f (.)g(.)g(.)h(.)66 b(5)62 1144 y(2.4)42 b(XAFS)14 b(sp)q(ectrum)g (calculation,)f(FF2CHI)f(.)20 b(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f (.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.) g(.)g(.)h(.)66 b(5)62 1222 y(2.5)42 b(Calculation)12 b(Strategy)27 b(.)21 b(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f (.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.) g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)66 b(5)0 1342 y Ff(3)38 b(Program)15 b(and)g(\014le)g(structure)1301 b(6)62 1420 y Fj(3.1)42 b(T)m(able)13 b(3.1)40 b(.)20 b(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h (.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.) f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)66 b(6)62 1498 y(3.2)42 b(Scattering)14 b(p)q(oten)o(tial)f(and)h(phase)h(shift)e (co)q(de,)i(POTPH)30 b(.)20 b(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g (.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)66 b(6)62 1577 y(3.3)42 b(P)o(ath)14 b(en)o(umeration,)e(P)m(A)m(THS)e(.) 20 b(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.) g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g (.)g(.)h(.)66 b(7)62 1655 y(3.4)42 b(Scattering)14 b(amplitude)e(and)i (other)g(XAFS)h(parameter)e(calculation,)g(GENFMT)21 b(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)66 b(7)62 1733 y(3.5)42 b(XAFS)14 b(sp)q(ectrum)g(calculation,)f(FF2CHI)f(.)20 b(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f (.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)66 b(7)0 1853 y Ff(4)38 b(Chapter)15 b(4:)21 b(Input)14 b(\014le)h(and)g(FEFF)i(commands)958 b(7)62 1931 y Fj(4.1)42 b(File)13 b(format)35 b(.)20 b(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f (.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.) g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)66 b(7)62 2009 y(4.2)42 b(Complete)13 b(list)g(of)g(fe\013.inp)h(k)o(eyw)o (ords)19 b(.)i(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h (.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.) h(.)66 b(8)158 2088 y(4.2.1)46 b(Basic)14 b(data)f(t)o(yp)q(es)34 b(.)20 b(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.) h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h (.)f(.)g(.)g(.)h(.)66 b(8)158 2166 y(4.2.2)46 b(Useful)14 b(Options)31 b(.)20 b(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g (.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.) g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)45 b(11)158 2244 y(4.2.3)h(Sometimes)11 b(useful)j(options)g(for)f(exp)q(ert)j(users)31 b(.)20 b(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.) h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)45 b(14)158 2322 y(4.2.4)h(Obscure)15 b(Options)29 b(.)20 b(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h (.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.) h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)45 b(16)0 2442 y Ff(5)38 b(Chapter)15 b(5:)21 b(Run)15 b(Con)o(trol)f(Options)1149 b(16)62 2520 y Fj(5.1)42 b(P)o(aths.dat)33 b(.)20 b(.)g(.)g(.)h(.)f(.)g (.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.) g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g (.)h(.)f(.)g(.)g(.)h(.)45 b(17)p eop %%Page: 2 2 2 1 bop 0 -84 1950 3 v 0 -100 a Ff(CONTENTS)1661 b Fj(2)62 81 y(5.2)42 b(Files.dat)18 b(.)j(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.) g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g (.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.) g(.)h(.)45 b(17)0 201 y Ff(6)38 b(Chapter)15 b(6:)21 b(Output)14 b(\014les)1344 b(17)62 279 y Fj(6.1)42 b(phase.bin)37 b(.)20 b(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.) g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g (.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)45 b(17)62 357 y(6.2)d(paths.dat)37 b(.)20 b(.)g(.)g(.)h(.)f(.)g(.)h(.)f (.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.) f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f (.)g(.)g(.)h(.)45 b(17)62 435 y(6.3)d(crit.dat)f(.)21 b(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g (.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.) h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)45 b(18)62 514 y(6.4)d(geom.dat)e(.)20 b(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h (.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.) f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h (.)45 b(18)62 592 y(6.5)d(\014les.dat)34 b(.)21 b(.)f(.)g(.)g(.)h(.)f (.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.) g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f (.)g(.)h(.)f(.)g(.)g(.)h(.)45 b(18)62 670 y(6.6)d(c)o(hi.dat)19 b(.)h(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f (.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.) f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)45 b(18)62 748 y(6.7)d(fe\013NNNN.dat)21 b(.)f(.)h(.)f(.)g(.)h(.)f(.)g(.)g (.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.) h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g (.)h(.)45 b(18)62 826 y(6.8)d(Diagnostic)13 b(\014les)h(from)e(POTPH)28 b(.)20 b(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.) h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g (.)h(.)45 b(18)62 905 y(6.9)d(xsect.bin)14 b(and)g(xm)o(u.dat)e (\014les)42 b(.)21 b(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.) g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g (.)h(.)f(.)g(.)g(.)h(.)45 b(19)62 983 y(6.10)21 b(V)m(ariables)13 b(in)g(output)h(\014les)h(and)e(in)h(calculation)f(of)g(XAFS)36 b(.)21 b(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.) g(.)h(.)f(.)g(.)g(.)h(.)45 b(19)0 1103 y Ff(7)38 b(App)q(endix)14 b(A.)i(Cop)o(yrigh)o(t)d(Information,)h(Restrictio)o(ns)f(and)i (License)540 b(20)62 1181 y Fj(7.1)42 b(Restrictions)14 b(and)g(License)h(Information)k(.)h(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h (.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.) f(.)g(.)g(.)h(.)45 b(20)62 1259 y(7.2)d(ADDENDUM:)13 b(Go)o(v)o(ernmen)o(t)g(Cop)o(yrigh)o(ts)g(\(DO)h(NOT)g(DELETE\))28 b(.)20 b(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.) h(.)45 b(20)0 1379 y Ff(8)38 b(App)q(endix)14 b(B.)i(Installation)c (Instructions)1050 b(21)62 1457 y Fj(8.1)42 b(PC)14 b(users:)35 b(.)20 b(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.) g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g (.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)45 b(21)62 1535 y(8.2)d(MA)o(C)14 b(users:)27 b(.)20 b(.)g(.)h(.)f(.)g(.)h (.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.) h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h (.)f(.)g(.)g(.)h(.)45 b(22)0 1655 y Ff(9)38 b(App)q(endix)14 b(C.)j(References)1330 b(22)0 1775 y(10)14 b(App)q(endix)g(D.)i(Sample) e(input)f(\014les)1178 b(22)62 1853 y Fj(10.1)21 b(SF6)13 b(Molecule)28 b(.)20 b(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f (.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.) f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)45 b(22)0 1973 y Ff(11)14 b(SF6)i(Molecule)1554 b(23)62 2051 y Fj(11.1)21 b(Cu)14 b(fcc)g(metal,)e(4)h(shells)g(.)21 b(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g (.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.) h(.)f(.)g(.)g(.)h(.)45 b(23)62 2129 y(11.2)21 b(YBCO)14 b(High-Tc)g(sup)q(erconductor)20 b(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h (.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.) h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)45 b(25)0 2249 y Ff(12)14 b(App)q(endix)g(E.)j(Co)q(de)f(V)l(ariables,)e(Dimension)o(s)f(and)i (Description)o(s)605 b(26)62 2327 y Fj(12.1)21 b(dim.h:)k(.)20 b(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g (.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.) g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)45 b(26)62 2406 y(12.2)21 b(arra)o(ys.h:)c(.)k(.)f(.)g(.)g(.)h(.)f(.)g(.)h (.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.) h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h (.)f(.)g(.)g(.)h(.)45 b(26)62 2484 y(12.3)21 b(lam)o(b)q(da.h:)k(.)20 b(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h (.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.) f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)45 b(27)p eop %%Page: 3 3 3 2 bop 0 -84 1950 3 v 0 -100 a Ff(1.)37 b(Chapter)15 b(1:)21 b(Synopsis)14 b({)i(PLEASE)f(READ)h(THIS)g(ENTIRE)h(SECTION)466 b Fj(3)62 81 y(12.4)21 b(p)q(data.h:)i(.)e(.)f(.)g(.)g(.)h(.)f(.)g(.)h (.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.) h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h (.)f(.)g(.)g(.)h(.)45 b(28)0 201 y Ff(13)14 b(App)q(endix)g(F.)i (Changes)f(from)g(FEFF)i(5.04)1033 b(29)0 320 y(14)14 b(App)q(endix)g(G.)i(T)l(rouble-sho)q(oti)o(n)o(g)d(FEFF)k(problems)853 b(30)62 399 y Fj(14.1)21 b(FEFF)14 b(Bug)g(and)g(Error)h(Rep)q(ort)34 b(.)20 b(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.) h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g(.)h(.)f(.)g(.)h(.)f(.)g(.)g (.)h(.)45 b(30)0 567 y Fg(1)67 b(Chapter)28 b(1:)39 b(Synopsis)29 b({)e(PLEASE)h(READ)g(THIS)f(ENTIRE)h(SEC-)101 652 y(TION)0 771 y Fj(FEFF6)11 b(calculates)h(w)o(a)o(v)o(e)e(phase)i(shifts,)f (e\013ectiv)o(e)h(scattering)g(amplitudes)d(and)i(single)g(and)g(m)o (ultiple)d(scattering)k(curv)o(ed)0 828 y(XAFS)i(and)g(XANES)h(sp)q (ectra,)g(including)d(p)q(olarization)h(dep)q(endence,)j(for)e (clusters)h(of)e(atoms)g(\(Z)h Fe(<)g Fj(95\).)0 906 y(The)g(calculation)f(is)h(automated)e(and)i(done)g(sequen)o(tially)g (in)f(four)h(steps:)51 1019 y(1.)20 b(The)e(scattering)g(p)q(oten)o (tials,)g(phase)h(shifts,)f(dip)q(ole)f(matrix)f(elemen)o(ts)h(and)h (absolute)g(energies)h(are)f(calculated)104 1075 y(\(mo)q(dule)12 b Ff(POTPH)p Fj(,)h(p)q(oten)o(tials)h(and)g(phases\))51 1163 y(2.)20 b(The)14 b(scattering)h(paths)f(for)g(the)g(cluster)h(are) g(en)o(umerated.)j(\(mo)q(dule)12 b Ff(P)l(A)l(THS)p Fj(\))51 1250 y(3.)20 b(The)11 b(e\013ectiv)o(e)h(scattering)f (amplitudes)e(and)i(other)g(XAFS)g(parameters)g(are)g(calculated)g(for) f(eac)o(h)h(scattering)g(path.)104 1307 y(\(mo)q(dule)h Ff(GENFMT)p Fj(,)j(general-path)f(F-matrix)d(calculation\))51 1394 y(4.)20 b(The)e(XAFS)g(parameters)g(from)e(one)i(or)g(more)f (paths)h(are)h(com)o(bined)d(to)i(calculate)g(a)g(total)f(XAFS)h(sp)q (ectrum.)104 1450 y(\(mo)q(dule)12 b Ff(FF2CHI)p Fj(,)j(scattering)f (amplitude)e(to)i(c)o(hi,)f(fe\013)i(is)e(the)i(e\013ectiv)o(e)g(curv)o (ed)g(w)o(a)o(v)o(e)e(scattering)i(amplitude\))0 1563 y(F)m(or)g(details)h(on)f(use)h(of)f(the)h(co)q(de,)h(examples)d(and)i (suggestions)g(on)f(calculation)g(strategies,)h(see)h(sections)g(2,)e (3)g(and)h(4.)0 1620 y(F)m(or)h(details)g(ab)q(out)g(the)h(algorithms)d (used)j(see)g(the)g(discussion)g(on)f(the)g(appropriate)h(mo)q(dule)d (in)i(section)h(2)f(and,)g(for)0 1677 y(more)c(detail,)g(the)h (published)g(references)j(in)c(App)q(endix)i(C.)0 1755 y(FEFF)20 b(is)g(written)g(in)f(ANSI)h(F)o(OR)m(TRAN)e(77,)i(with)g (the)g(non-standard)g(extension)g(of)f(double)g(precision)h(complex)0 1812 y(\(complex*16\))c(v)n(ariables.)28 b(It)17 b(requires)i(ab)q(out) f(3)f(megab)o(ytes)g(of)f(a)o(v)n(ailable)g(memory)f(to)i(run.)29 b(See)19 b(App)q(endix)e(B)h(for)0 1868 y(complete)13 b(installation)f(instructions.)0 1947 y(FEFF6)j(is)g(cop)o(yrigh)o(t)g (protected)i(soft)o(w)o(are)e(and)g(users)i(m)o(ust)d(obtain)g(a)h (license)h(from)d(the)j(Univ)o(ersit)o(y)f(of)f(W)m(ashington)0 2004 y(O\016ce)h(of)e(T)m(ec)o(hnology)g(T)m(ransfer)h(for)g(its)f (use.)19 b(See)c(App)q(endix)f(A)g(for)g(complete)f(cop)o(yrigh)o(t)h (notice.)0 2082 y(Please)d(cite)g(FEFF)f(if)g(the)g(co)q(de)h(or)g(its) f(results)h(are)g(used)g(in)e(published)i(w)o(ork.)16 b(See)11 b(App)q(endix)g(C)f(for)g(a)g(list)f(of)h(appropriate)0 2139 y(citations.)0 2217 y(The)k(main)e(authors)i(of)g(FEFF6)g(are:)16 2323 y Ff(S.)i(I.)g(Zabinsky)104 2394 y Fj(Univ)o(ersit)o(y)e(of)f(W)m (ashington,)f(zabinsky@ph)o(ys.w)o(ashington.edu)h(-)h(\(206\))f (543-0435)16 2482 y Ff(J.)j(J.)g(Rehr)104 2554 y Fj(Univ)o(ersit)o(y)e (of)f(W)m(ashington,)f(jjr@ph)o(ys.w)o(ashington.edu)h(-)h(\(206\))f (543-8593)p eop %%Page: 4 4 4 3 bop 0 -84 1950 3 v 0 -100 a Ff(2.)37 b(Conceptual)14 b(description)1369 b Fj(4)16 81 y Ff(A.)16 b(Ankudino)o(v)104 151 y Fj(Univ)o(ersit)o(y)e(of)f(W)m(ashington,)f(alex@ph)o(ys.w)o (ashington.edu)h(-)h(\(206\))f(543-0435)16 234 y Ff(R.)j(C.)h(Alb)q (ers)104 304 y Fj(Los)d(Alamos)e(National)g(Lab)q(oratory)m(,)h (rca@lanl.go)o(v)f(-)i(\(505\))f(665-0417)0 402 y(Please)k(con)o(tact)g (us)g(concerning)g(an)o(y)f(problems)f(with)h(the)h(co)q(de;)h(see)f (App)q(endix)g(G)f(for)g(trouble-sho)q(oting)g(hin)o(ts)g(and)0 459 y(problem/bug)c(rep)q(orts.)0 537 y(P)o(art)j(of)e(the)i(original)e (FEFF3)h(co)q(de)h(w)o(as)g(dev)o(elop)q(ed)g(in)f(collab)q(oration)e (with)i(J.)g(Mustre)i(de)f(Leon)f(and)g(is)h(still)e(part)i(of)0 594 y(FEFF5)e(and)g(FEFF6.)18 b(The)c(authors)f(thank)g(the)g(users)i (of)d(the)i(exp)q(erimen)o(tal)e(v)o(ersion)h(of)g(this)g(co)q(de)g (and)g(esp)q(ecially)g(M.)0 650 y(Newville)g(and)h(B.)g(Ra)o(v)o(el)f (for)g(commen)o(ts)f(and)i(suggestions.)0 817 y Fg(2)67 b(Conceptual)23 b(description)0 936 y Fj(This)14 b(section)g(describ)q (es)i(the)f(v)n(arious)e(mo)q(dules)g(and)h(outlines)f(the)i(use)g(of)e (the)h(co)q(de.)0 1079 y Fd(2.1)56 b(Scattering)17 b(p)r(oten)n(tial)h (and)h(phase)g(shift)f(co)r(de,)g(POTPH)0 1184 y Fj(The)d(p)q(oten)o (tials)f(of)g(eac)o(h)i(atomic)c(t)o(yp)q(e)j(are)h(calculated)e(as)h (if)f(the)h(atoms)e(w)o(ere)j(isolated)e(in)g(space)i(using)e(a)g (relativistic)0 1241 y(Dirac-F)m(o)q(c)o(k-Slater)j(Desclaux)h(atom)d (co)q(de)k(with)e(the)h(v)o(on)f(Barth-Hedin)h(ground)g(state)g(LD)o(A) f(exc)o(hange-correlation)0 1297 y(p)q(oten)o(tial.)h(The)d(scattering) g(p)q(oten)o(tials)e(are)i(calculated)f(b)o(y)g(o)o(v)o(erlapping)f (the)i(free)f(atom)f(densities)i(within)e(the)i(m)o(u\016n)0 1354 y(tin)10 b(appro)o(ximation)e(\(Mattheiss)j(prescription\),)h(and) f(including)e(the)i(Hedin-Lundqvist/Quinn)g(self)f(energy)i(for)e (excited)0 1411 y(states.)30 b(Mu\016n-tin)16 b(radii)h(are)g (determined)h(automatically)c(from)h(calculated)j(Norman)e(radii)g(and) h(scattering)h(phase)0 1468 y(shifts)e(are)g(determined)f(b)o(y)h(matc) o(hing)d(at)j(the)g(m)o(u\016n)e(tin)h(radius.)23 b(XAFS)16 b(sp)q(ectra)h(are)g(referenced)h(to)d(the)h(threshold)0 1525 y(F)m(ermi)10 b(lev)o(el,)h(whic)o(h)h(is)g(estimated)f(b)o(y)g (electron)i(gas)e(theory)i(at)e(the)h(mean)f(in)o(terstitial)g(densit)o (y)m(.)17 b(A)o(tomic)10 b(con\014gurations)0 1581 y(and)18 b(core-hole)g(lifetimes)e(are)j(built)e(in,)h(and)g(mean)f(free)h (paths)h(are)f(determined)g(from)e(the)j(imaginary)c(part)j(of)f(the)0 1638 y(a)o(v)o(erage)k(in)o(terstitial)e(p)q(oten)o(tial.)38 b(Dip)q(ole)20 b(matrix)e(elemen)o(ts)j(are)g(calculated)g(using)f (atomic)f(core)i(and)g(normalized)0 1695 y(con)o(tin)o(uum)12 b(w)o(a)o(v)o(efunctions.)18 b(An)c(absolute)f(energy)i(scale)f(is)f (obtained)h(b)o(y)f(a)h(Desclaux-atom)e(calculation)g(of)h(the)i(total) 0 1752 y(energy)g(of)e(the)h(system)g(with)f(and)h(without)f(the)h (core-hole.)19 b(P)o(olarization)12 b(dep)q(endence)17 b(is)c(optionally)f(incorp)q(orated)i(in)0 1809 y(the)g(dip)q(ole-op)q (erator.)0 1887 y(The)f(free)g(atomic)e(p)q(oten)o(tials)h(need)i(as)e (input)h(only)e(the)i(atomic)e(n)o(um)o(b)q(er)h(of)g(the)h(atoms,)e (and,)h(for)g(the)h(absorbing)f(atom,)0 1944 y(the)i(t)o(yp)q(e)g(of)e (the)i(core)g(hole)f(b)q(eing)g(considered.)20 b(T)m(o)12 b(do)h(the)h(o)o(v)o(erlapping)e(for)h(the)h(unique)f(p)q(oten)o (tials,)g(the)h(neigh)o(b)q(oring)0 2000 y(atoms)h(m)o(ust)h(b)q(e)h (iden)o(ti\014ed,)g(either)h(b)o(y)e(p)q(osition)g(\(from)f(a)i(list)f (of)g(the)h(cartesian)h(co)q(ordinates)f(of)f(eac)o(h)h(atom\))f(or)g (b)o(y)0 2057 y(explicit)d(o)o(v)o(erlapping)g(instructions.)0 2135 y(T)m(o)f(sa)o(v)o(e)g(time)f(the)i(co)q(de)h(calculates)f(the)g (o)o(v)o(erlapp)q(ed)f(atom)f(p)q(oten)o(tial)h(for)g(eac)o(h)h(unique) f(p)q(oten)o(tial)g(only)g(once,)h(using)f(as)0 2192 y(a)j(sample)e(geometry)h(the)i(\014rst)g(atom)d(in)h(the)i(atom)d (list)h(with)h(a)f(giv)o(en)h(unique)g(p)q(oten)o(tial)f(index.)21 b(Th)o(us)15 b(it)g(is)f(essen)o(tial)0 2249 y(that)g(the)g(neigh)o(b)q (orho)q(o)q(d)g(of)f(that)h(sample)f(atom)f(b)q(e)j(appropriate.)0 2392 y Fd(2.2)56 b(P)n(ath)19 b(en)n(umeration,)e(P)-5 b(A)g(THS)0 2497 y Fj(The)11 b(co)q(de)g(uses)h(a)e(constructiv)o(e)i (algorithm)c(with)i(sev)o(eral)h(path)g(imp)q(ortance)f(\014lters)h(to) f(explore)h(all)e(signi\014can)o(t)h(m)o(ultiple-)0 2554 y(scattering)21 b(paths)f(in)f(order)h(of)g(increasing)f(path)h (length,)h(based)f(on)g(a)f(list)g(of)g(atomic)f(co)q(ordinates.)37 b(An)19 b(e\016cien)o(t)p eop %%Page: 5 5 5 4 bop 0 -84 1950 3 v 0 -100 a Ff(2.)37 b(Conceptual)14 b(description)1369 b Fj(5)0 81 y(degeneracy)15 b(c)o(hec)o(k)o(er)f(is) f(used)h(to)f(iden)o(tify)g(equiv)n(alen)o(t)f(paths)i(\(based)f(on)g (similar)e(geometry)m(,)h(path)h(rev)o(ersal)h(symmetry)m(,)0 138 y(and)g(space)h(in)o(v)o(ersion)e(symmetry\).)0 216 y(The)18 b(criteria)f(used)h(in)f(\014ltering)g(are)g(based)h(on)f (increasingly)g(accurate)h(estimates)f(of)g(eac)o(h)g(path's)h (amplitude.)26 b(The)0 273 y(earliest)18 b(\014lters,)h(the)f (path\014nder)g(heap)g(and)f(k)o(eep)i(\014lters,)f(are)g(applied)f(as) h(the)g(paths)g(are)g(b)q(eing)f(created.)31 b(A)17 b(plane)0 329 y(w)o(a)o(v)o(e)g(\014lter)g(based)h(on)e(the)i(plane)f(w)o(a)o(v)o (e)f(appro)o(ximation)e(\(plus)j(a)g(curv)o(ed)h(w)o(a)o(v)o(e)f (correction)h(for)e(m)o(ultiple-scattering)0 386 y(paths\))e(and)f (accurate)h(to)f(ab)q(out)g(30\045)f(is)h(applied)g(after)g(the)h (paths)f(ha)o(v)o(e)g(b)q(een)h(en)o(umerated)g(and)f(sorted.)18 b(Finally)m(,)11 b(and)0 443 y(accurate)k(curv)o(ed)g(w)o(a)o(v)o(e)f (\014lter)g(is)g(applied)f(to)h(all)e(remaining)g(paths.)0 589 y Fd(2.3)56 b(Scattering)17 b(amplitude)g(and)i(other)f(XAFS)i (parameter)d(calculation,)g(GENFMT)0 694 y Fj(F)m(or)10 b(eac)o(h)h(path)f(the)h(co)q(de)g(calculates)g(the)g(e\013ectiv)o(e)g (scattering)h(amplitude)c(\()p Fi(|)p Fj(F)p 1272 694 13 2 v 15 w(e\013)p Fi(|)j Fj(from)d(whic)o(h)i(FEFF)h(gets)g(its)f (name\),)0 751 y(total)k(scattering)h(phase)g(shift)f(and)g(other)h (XAFS)g(parameters)f(using)g(the)h(scattering)h(matrix)c(algorithm)g (of)h(Rehr)i(and)0 807 y(Alb)q(ers.)21 b(Once)15 b(the)g(scattering)h (phase)f(shifts)f(and)h(the)g(paths)f(are)h(determined,)f(no)h(other)g (input)f(is)g(necessary)j(for)d(this)0 864 y(calculation.)0 1010 y Fd(2.4)56 b(XAFS)19 b(sp)r(ectrum)e(calculation,)g(FF2CHI)0 1115 y Fj(The)d(co)q(de)h(\0132c)o(hi)f(constructs)h(the)g(XAFS)f(sp)q (ectrum)g(c)o(hi\(k\))g(using)g(the)g(XAFS)g(parameters)g(from)e(one)i (or)g(more)f(paths.)0 1172 y(Single)g(and)h(m)o(ultiple)e(scattering)i (Deb)o(y)o(e-W)m(aller)f(factors)h(are)g(calculated)g(using)g(a)g (correlated)h(Deb)o(y)o(e)f(mo)q(del.)i(Output)0 1229 y(from)c(this)h(mo)q(dule)f(is)h(the)h(total)e(XAFS)i(sp)q(ectrum)g (and)f(optionally)m(,)d(the)k(con)o(tribution)f(to)g(the)h(XAFS)g(from) d(eac)o(h)j(path)0 1285 y(individually)m(.)0 1431 y Fd(2.5)56 b(Calculation)18 b(Strategy)0 1536 y Fj(The)12 b(scattering)g(phase)g (shifts)f(for)g(eac)o(h)h(unique)g(p)q(oten)o(tial)e(are)i(necessary)h (for)e(b)q(oth)h(P)m(A)m(THS)f(and)g(GENFMT.)g(They)h(are)0 1593 y(used)g(for)e(the)i(imp)q(ortance)d(\014lters)j(in)e(P)m(A)m(THS) h(and)f(are)i(the)f(basis)g(of)f(the)h(XAFS)g(parameters)g(calculation) f(in)g(GENFMT.)0 1650 y(This)15 b(part)h(of)e(the)i(calculation)e(can)i (b)q(e)g(slo)o(w,)e(so)i(it)f(is)g(usually)f(b)q(est)j(to)e(run)h(it)e (only)h(once)h(and)f(use)h(the)g(results)g(while)0 1707 y(studying)e(the)g(paths)g(and)g(XAFS.)0 1785 y(T)m(o)h(study)i(the)f (necessary)i(paths,)e(the)h(path\014nder)g(mo)q(dule)d(P)m(A)m(THS)i (will)e(need)j(the)g(atomic)d(p)q(ositions)i(of)f(an)o(y)g(atoms)0 1842 y(from)g(whic)o(h)h(scattering)h(is)f(exp)q(ected.)28 b(If)16 b(the)h(structure)i(is)d(completely)f(unkno)o(wn,)h (single-scattering)h(paths)g(can)f(b)q(e)0 1898 y(created)d(explicitly) m(.)j(Because)d(the)g(n)o(um)o(b)q(er)d(of)h(p)q(ossible)h(paths)g (increases)h(exp)q(onen)o(tially)e(with)g(total)g(path)h(length,)f (start)0 1955 y(with)h(a)f(short)i(total)e(path)h(length,)f(study)i (the)f(few)g(paths)g(\(represen)o(ting)i(scattering)f(from)d(the)j (nearest)g(neigh)o(b)q(ors\),)f(and)0 2012 y(gradually)j(increase)i (the)g(total)e(path)h(length,)g(p)q(ossibly)g(studying)g(the)g(path)g (imp)q(ortance)f(co)q(e\016cien)o(ts)j(and)e(using)f(the)0 2069 y(\014lters)f(to)e(limit)f(the)i(n)o(um)o(b)q(er)f(of)h(paths.)18 b(This)13 b(pro)q(cess)h(is)f(not)g(automated,)e(and)i(if)f(done)h (carelessly)h(can)f(yield)g(so)g(man)o(y)0 2126 y(paths)h(that)g(no)g (analysis)f(will)f(b)q(e)j(p)q(ossible.)0 2204 y(Finally)m(,)f(use)j (GENFMT)f(to)g(calculate)h(the)f(XAFS)h(parameters,)f(and)g(FF2CHI)g (to)g(assem)o(ble)g(the)h(results)g(in)o(to)e(a)h(c)o(hi)0 2261 y(curv)o(e.)j(Here,)c(the)g(slo)o(w)e(part)h(is)g(GENFMT)g(and)g (FF2CHI)g(is)g(v)o(ery)h(fast.)j(Therefore,)d(to)f(explore)g (parameters)g(suc)o(h)h(as)0 2317 y(Deb)o(y)o(e-W)m(aller)c(factors,)h (mean)f(free)h(path)g(and)g(energy)h(zero)f(shifts,)g(v)n(arious)g(com) o(binations)d(of)j(paths)g(and)g(co)q(ordination)0 2374 y(n)o(um)o(b)q(ers,)h(run)h(only)f(mo)q(dule)g(FF2CHI)h(using)f(the)i (results)g(sa)o(v)o(ed)f(from)e(GENFMT.)0 2452 y(If)f(y)o(our)g(mo)q (del)e(c)o(hanges)j(signi\014can)o(tly)m(,)e(the)h(phase)h(shifts)f (\(whic)o(h)h(are)f(based)h(in)f(part)g(on)g(the)g(structure)j(of)c (the)i(material\))p eop %%Page: 6 6 6 5 bop 0 -84 1950 3 v 0 -100 a Ff(3.)37 b(Program)15 b(and)g(\014le)g(structure)1292 b Fj(6)0 81 y(will)15 b(ha)o(v)o(e)h(to)g(b)q(e)h(recalculated.)27 b(An)o(y)16 b(time)f(the)i(phase)g(shifts)f(c)o(hange,)h(the)g(XAFS)g(parameters)f (will)f(ha)o(v)o(e)h(to)g(b)q(e)h(re-)0 138 y(calculated.)h(If)c(the)g (path)g(\014lters)h(ha)o(v)o(e)e(b)q(een)i(used,)g(the)f(path)g(list)f (will)g(also)g(ha)o(v)o(e)h(to)g(b)q(e)g(recomputed.)0 305 y Fg(3)67 b(Program)22 b(and)h(\014le)g(structure)0 424 y Fj(This)15 b(section)g(describ)q(es)i(the)e(\014les)g(and)g(data) f(used)h(b)o(y)g(the)g(v)n(arious)f(mo)q(dules.)19 b(The)c(main)e (program)g(FEFF)i(reads)h(one)0 481 y(\014le)f(created)i(directly)f(b)o (y)f(the)h(user,)h(the)f(\014le)f(fe\013.inp;)g(it)g(is)h(line)f(orien) o(ted)g(with)h(a)f(KEYW)o(ORD)g(in)g(CAPIT)m(AL)g(LET-)0 538 y(TERS)f(follo)o(w)o(ed)e(b)o(y)i(data)g(in)g(free)h(format.)i(T)m (ab)c(c)o(haracters)j(are)f(NOT)f(p)q(ermitted)g(\(due)h(to)f(p)q (ortabilit)o(y)f(constrain)o(ts\).)0 594 y(Commen)o(ts)c(ma)o(y)g(b)q (e)j(added)f(at)g(the)h(end)f(of)g(an)o(y)f(line)h(after)g(an)o(y)g (required)h(data,)e(and)h(spaces)i(b)q(et)o(w)o(een)f(lines)f(are)h (ignored.)0 651 y(An)o(y)17 b(line)g(b)q(eginning)f(with)h(an)g (asterisk)h(\(*\))f(is)g(a)g(commen)o(t)e(and)i(is)g(ignored.)28 b(An)18 b(auxilliary)c(program)i(is)h(pro)o(vided)0 708 y(whic)o(h)d(generates)h(the)g(fe\013.inp)e(\014le)h(from)e (crystallographic)i(input)f(parameters.)0 786 y(Other)g(\014les)g (required)g(b)o(y)f(the)g(v)n(arious)g(mo)q(dules)f(are)h(created)i(b)o (y)e(FEFF)g(from)f(fe\013.inp.)17 b(Some)11 b(of)g(these)j(other)e (\014les)h(ma)o(y)0 843 y(b)q(e)h(edited)g(b)o(y)f(the)h(user)h(as)e(a) g(w)o(a)o(y)g(to)g(mo)q(dify)e(the)j(input)f(data)g(to)h(the)g(mo)q (dules,)e(see)i(section)g(5.)k(See)c(the)g(PRINT)f(card)0 900 y(in)i(section)h(4)f(to)g(obtain)g(v)n(arious)g(diagnostic)g (\014les.)23 b(T)m(able)14 b(3.1)h(summarizes)e(this)j(structure,)h (the)f(rest)h(of)e(this)g(section)0 956 y(describ)q(es)h(the)e (structure)j(in)c(more)g(detail.)0 1100 y Fd(3.1)56 b(T)-5 b(able)18 b(3.1)104 1245 y Fc(module)37 b(input)17 b(files)97 b(output)17 b(files)76 b(other)18 b(useful)f(output)104 1297 y(------)37 b(---------)o(--)95 b(--------)o(---)o(-)75 b(----------)o(---)o(---)o(--)o(-)104 1349 y(POTPH)57 b(feff.inp)154 b(phase.bi)o(n)134 b(diagnostic)16 b(files)261 1401 y(potph.inp)134 b(xsect.bi)o(n)g(\(see)18 b(PRINT)g(card\))104 1505 y(PATHS)57 b(feff.inp)154 b(paths.da)o(t)134 b(crit.dat)261 1557 y(phase.bin)261 1609 y(geom.dat)104 1713 y(GENFMT)37 b(feff.inp)154 b(files.da)o(t)261 1766 y(phase.bin)134 b(feffNNNN)o(.da)o(t)261 1818 y(paths.dat)104 1922 y(FF2CHI)37 b(feff.inp)154 b(chi.dat)173 b(chipNNNN.d)o(at)261 1974 y(files.dat)134 b(xmu.dat)261 2026 y(feffNNNN.)o(da)o(t)261 2078 y(xsect.bin)0 2221 y Fd(3.2)56 b(Scattering)17 b(p)r(oten)n(tial)h (and)h(phase)g(shift)f(co)r(de,)g(POTPH)0 2326 y Fj(Reads)g(p)q (otph.inp,)f(whic)o(h)g(is)h(created)h(b)o(y)e(FEFF's)h(input)f (routine)h(from)d(fe\013.inp.)29 b(p)q(otph.inp)16 b(is)i(deleted)g(b)o (y)f(FEFF)0 2383 y(after)h(use.)31 b(POTPH)18 b(writes)h(the)f(binary)f (\014le)h(phase.bin,)g(whic)o(h)g(con)o(tains)f(the)i(scattering)f (phase)h(shifts)f(and)f(other)0 2440 y(information)d(needed)19 b(b)o(y)e(P)m(A)m(THS)g(and)g(GENFMT.)g(If)g(the)h(XANES)g(card)f(is)h (used,)g(POTPH)g(will)e(prin)o(t)h(the)h(cross-)0 2497 y(section)f(data)e(in)g(xsect.bin.)25 b(Optionally)m(,)13 b(POTPH)k(will)d(write)j(other)f(diagnostic)f(\014les)h(with)g (information)d(ab)q(out)i(the)0 2554 y(p)q(oten)o(tials)f(and)f(phase)i (shift)f(calculations.)p eop %%Page: 7 7 7 6 bop 0 -84 1950 3 v 0 -100 a Ff(4.)37 b(Chapter)15 b(4:)21 b(Input)14 b(\014le)h(and)g(FEFF)i(commands)949 b Fj(7)0 81 y Fd(3.3)56 b(P)n(ath)19 b(en)n(umeration,)e(P)-5 b(A)g(THS)0 186 y Fj(Reads)18 b(geom.dat,)e(whic)o(h)i(is)f(created)i (b)o(y)f(FEFF)g(from)e(the)i(information)d(in)i(fe\013.inp,)h(and)f (phase.bin.)29 b(geom.dat)16 b(is)0 243 y(deleted)h(after)e(use)i (unless)f(explicitly)f(sa)o(v)o(ed)g(\(see)i(PRINT)f(card\).)23 b(P)m(A)m(THS)15 b(writes)i(paths.dat)e(for)g(use)i(b)o(y)e(GENFMT)0 299 y(and)e(as)f(a)h(complete)f(description)h(of)f(eac)o(h)h(path)g (for)f(use)i(of)e(the)h(user.)19 b(P)m(A)m(THS)12 b(will)g(optionally)e (write)j(other)h(diagnostic)0 356 y(\014les.)28 b(The)18 b(\014le)f(crit.dat)g(is)g(particularly)f(useful)i(when)f(studying)g (large)g(n)o(um)o(b)q(ers)g(of)g(paths.)28 b(When)17 b(studying)g(large)0 413 y(n)o(um)o(b)q(ers)d(of)f(paths,)h(this)g(mo)q (dule)e(will)g(optionally)g(write)i(only)g(crit.dat)f(and)h(sa)o(v)o(e) g(geom.dat,)d(not)j(writing)f(paths.dat.)0 559 y Fd(3.4)56 b(Scattering)17 b(amplitude)g(and)i(other)f(XAFS)i(parameter)d (calculation,)g(GENFMT)0 664 y Fj(GENFMT)c(reads)h(phase.bin)f(and)f (paths.dat,)h(and)g(writes)g(a)g(\014le)g(fe\013NNNN.dat)g(for)g(eac)o (h)g(path,)g(where)h(NNNN)g(is)e(the)0 721 y(4-digit)j(path)i(n)o(um)o (b)q(er)f(tak)o(en)h(from)e(paths.dat.)27 b(The)17 b(fe\013.dat)g (\014les)g(con)o(tain)g(the)g(XAFS)g(parameters)g(for)g(eac)o(h)g(path) 0 777 y(and)d(can)f(b)q(e)i(used)f(b)o(y)g(FF2CHI,)f(or)h(can)f(b)q(e)i (used)f(directly)g(b)o(y)g(other)g(programs.)j(These)e(\014les)f(are)g (the)g(main)e(output)i(of)0 834 y(FEFF.)g(The)g(\014le)g(\014les.dat)g (is)g(a)f(list)h(of)f(these)i(\014lenames)e(with)h(the)g(imp)q(ortance) f(of)h(eac)o(h)g(path.)0 980 y Fd(3.5)56 b(XAFS)19 b(sp)r(ectrum)e (calculation,)g(FF2CHI)0 1085 y Fj(FF2CHI)c(reads)g(\014les.dat,)f (reads)i(the)f(\014les)g(listed)f(and)h(\014les.dat)f(and)g(writes)i(c) o(hi.dat)e(with)g(the)h(total)f(XAFS)h(from)e(these)0 1142 y(\014les.)18 b(Additional)10 b(instructions)j(are)f(passed)h(to)f (FF2CHI)g(from)e(fe\013.inp,)h(so)h(y)o(ou)f(can)i(c)o(hange)f(S02,)f (Deb)o(y)o(e)h(temp)q(erature)0 1199 y(and)f(some)e(other)j(parameters) e(without)h(re-doing)f(the)i(whole)e(calculation.)16 b(The)11 b(\014le)g(\014les.dat)f(can)h(b)q(e)h(edited)f(b)o(y)f(hand)h (to)0 1255 y(c)o(hange)i(the)h(\014les)g(b)q(eing)f(considered,)h(and)f (individual)e(c)o(hipNNNN.dat)i(\014les)h(with)e(c)o(hi)h(from)f(eac)o (h)h(path)g(are)h(optionally)0 1312 y(written.)k(If)10 b(the)h(XANES)h(card)f(is)g(sp)q(eci\014ed)h(and)f(xsect.bin)g(exists,) h(FF2CHI)e(will)g(write)h(the)g(XANES)h(data)e(in)h(xm)o(u.dat.)0 1481 y Fg(4)67 b(Chapter)23 b(4:)29 b(Input)23 b(\014le)h(and)e(FEFF)i (commands)0 1601 y Fj(The)15 b(main)d(program)g(FEFF)j(reads)g(one)f (\014le)g(created)i(directly)e(b)o(y)g(the)h(user,)g(the)g(\014le)f (fe\013.inp.)k(This)c(section)h(describ)q(es)0 1658 y(fe\013.inp)c(and) g(the)h(commands)d(that)i(tell)g(FEFF)h(what)g(to)f(do.)17 b(It)11 b(ma)o(y)f(b)q(e)i(helpful)e(to)i(lo)q(ok)e(at)h(one)h(or)f (more)f(of)h(the)h(sample)0 1714 y(input)f(\014les)g(in)g(App)q(endix)h (D)e(while)h(reading)g(this)g(section.)18 b(An)11 b(auxilliary)e (program)h(A)m(TOMS)h(can)g(generate)i(the)e(fe\013.inp)0 1771 y(\014le.)22 b(See)16 b(the)g(A)m(TOMS)f(card)h(and)f(the)h(do)q (cumen)o(t)f(for)g(A)m(TOMS)g(for)g(additional)e(details.)22 b(The)16 b(input)f(\014le)g(for)g(FEFF6)0 1828 y(is)g(iden)o(tical)f (to)i(FEFF5,)f(except)h(that)g(additional)d(options)i(ha)o(v)o(e)g(b)q (een)h(added)f(to)g(p)q(ermit)g(XANES)h(calculations)e(and)0 1885 y(add)g(p)q(olarization)e(dep)q(endence.)0 2030 y Fd(4.1)56 b(File)17 b(format)0 2135 y Fj(fe\013.inp)e(is)f(a)h(free)h (format)d(line)i(orien)o(ted)g(\014le.)22 b(Blank)14 b(lines)h(and)g(lines)g(b)q(eginning)g(with)f(an)h(asterisk)h(\(commen) o(t)d(lines\))0 2192 y(are)k(ignored)g(wherev)o(er)i(the)f(o)q(ccur.)28 b(End)18 b(of)e(line)h(commen)o(ts)e(are)j(also)e(ignored.)28 b(Eac)o(h)17 b(t)o(yp)q(e)h(of)e(input)h(read)g(b)o(y)g(the)0 2249 y(program)e(m)o(ust)h(con)o(tain)g(a)h(card)g(with)g(a)f("k)o(eyw) o(ord")h(in)f(CAPIT)m(AL)h(LETTERS,)f(and)h(in)f(some)g(cases,)j(follo) o(w)o(ed)c(b)o(y)0 2306 y(data)f(cards.)22 b(The)15 b(sequence)i(of)d (k)o(eyw)o(ord)h(cards)g(is)g(arbitrary)m(.)20 b(If)14 b(an)o(y)h(card)g(is)f(omitted,)g(default)g(v)n(alues)g(are)i(used;)f (an)0 2363 y(exception)g(is)e(the)i(POTENTIALS)g(card,)f(whic)o(h)f(is) h(required.)19 b(Numeric)13 b(v)n(alues)h(are)g(listed)g(in)f(free)i (format,)d(separated)0 2419 y(b)o(y)k(blanks.)25 b(T)m(ab)15 b(c)o(haracters)j(are)f(not)f(allo)o(w)o(ed)f(\(due)i(to)f(p)q (ortabilit)o(y)f(constrain)o(ts\))i(and)f(ma)o(y)f(cause)i(confusing)f (error)0 2476 y(messages.)i(Characters)e(app)q(earing)d(after)h(the)h (exp)q(ected)h(data)e(on)f(a)h(giv)o(en)f(line)h(are)g(ignored)g(b)o(y) f(fe\013)i(and)e(can)i(b)q(e)f(used)0 2533 y(as)g(end-of-line)f(commen) o(ts.)j(All)d(distances)i(are)g(in)e(Angstroms)g(and)h(energies)h(in)f (eV.)p eop %%Page: 8 8 8 7 bop 0 -84 1950 3 v 0 -100 a Ff(4.)32 b(Chapter)15 b(4:)h(Input)e(\014le)g(and)i(FEFF)g(commands)960 b Fj(8)0 81 y Fd(4.2)56 b(Complete)16 b(list)i(of)h(fe\013.inp)e(k)n(eyw)n(ords) 0 186 y Fj(The)11 b(list)g(of)f(fe\013.inp)g(options)h(fall)e(in)o(to)h (four)h(categories,)h(standard)f(options)f(frequen)o(tly)h(and)g (easily)f(used,)i(useful)f(options)0 243 y(that)16 b(are)g(often)f (used,)i(sp)q(ecial)f(options)f(that)h(are)g(seldom)e(necessary)k(or)d (helpful,)g(and)h(obscure)h(options)e(used)h(during)0 299 y(dev)o(elopmen)o(t)d(that)h(are)g(included)g(for)g(completeness.) 16 413 y Ff(The)h(standard)f(data)i(t)o(yp)q(es)f(are)104 485 y Fj(A)m(TOMS,)e(CONTR)o(OL,)h(DEBYE,)g(HOLE,)g(POTENTIALS,)g (PRINT,)f(SIG2,)g(TITLE)16 572 y Ff(Useful)h(options)f(include)104 644 y Fj(CORRECTIONS,)c(CRITERIA,)g(ELLIPTICITY,)h(END,)g(NEMAX,)g (NLEG,)f(NOGEOM,)h(PCRITERIA,)g(PO-)104 701 y(LARIZA)m(TION,)j(RMAX,)g (RMUL)m(TIPLIER,)g(SS,)g(XANES,)16 788 y Ff(Sp)q(ecial)h(data)h(t)o(yp) q(es)g(are)h(recommended)d(only)i(for)g(adv)m(anced)h(users,)f(a)o(wkw) o(ard)h(situation)o(s)d(or)i(diagnostic)e(purp)q(oses)104 917 y Fj(AF)o(OLP)m(,)g(F)o(OLP)m(,)h(EX)o(CHANGE,)f(ION,)h(O)o(VERLAP) m(,)16 1004 y Ff(And)h(some)g(\(e.g.)21 b(IORDER\))15 b(are)h(so)g(obscure)e(that)h(w)o(e)104 1076 y Fj(considered)g(not)f (men)o(tioning)d(them.)0 1189 y(These)16 b(data)f(t)o(yp)q(es)h(are)f (listed)g(b)q(elo)o(w,)g(alphab)q(etically)e(within)h(eac)o(h)i (category)m(.)21 b(Eac)o(h)15 b(D)o(A)m(T)m(A)m(TYPE)f(is)h(follo)o(w)o (ed)f(b)o(y)g(a)0 1246 y(brief)g(explanation)f(and)g(an)h(example.)0 1381 y Ff(4.2.1)48 b(Basic)15 b(data)h(t)o(yp)q(es)0 1486 y(A)l(TOMS)42 b Fj(Cartesian)15 b(co)q(ordinates)i(and)e(unique)h (p)q(oten)o(tial)f(indices)h(of)f(eac)o(h)i(atom)d(\(in)h(Angstroms\))g (in)g(the)i(cluster)0 1543 y(are)12 b(en)o(tered)i(follo)o(wing)9 b(the)k(A)m(TOMS)e(card,)i(one)f(p)q(er)h(line.)j(Please)d(see)g(the)g (discussion)f(of)f(unique)h(p)q(oten)o(tials)g(in)f(section)0 1600 y(4.2.1.5.)j(An)d(auxilliary)c(co)q(de)k(A)m(TOMS)f(written)h(b)o (y)f(B.)g(Ra)o(v)o(el)f(\(U.)h(W)m(ashington\))e(is)i(supplied)h(with)e (FEFF)i(6)f(to)g(generate)0 1657 y(the)k(A)m(TOMS)g(list)g(from)e(giv)o (en)h(crystallographic)h(data.)j(See)e(the)g(do)q(cumen)o(t)e(\014le)h (to)g(A)m(TOMS)g(for)f(more)g(information.)143 1758 y Fc(ATOMS)143 1810 y(*)19 b(x)118 b(y)f(z)98 b(ipot)e(SF6)18 b(molecule)182 1862 y(0.0)78 b(0.0)f(0.0)97 b(0)117 b(S)19 b(K-shell)e(hole)182 1966 y(3.61)58 b(0.00)f(0.00)77 b(1)117 b(F)19 b(1st)g(shell)e(atoms)182 2018 y(0.00)58 b(3.61)f(0.00)77 b(1)182 2070 y(0.00)58 b(0.00)f(3.61)77 b(1)163 2123 y(-3.61)57 b(0.00)g(0.00)77 b(1)182 2175 y(0.00)38 b(-3.61)57 b(0.00)77 b(1)182 2227 y(0.00)58 b(0.00)37 b(-3.61)77 b(1)0 2362 y Ff(CONTR)o(OL)41 b Fj(The)15 b(CONTR)o(OL)f(card)g(lets)h(y)o(ou)e(run)i(one)f(or)g(more)f (of)g(the)i(mo)q(dules)d(separately)m(.)19 b(There)c(is)f(a)g(switc)o (h)0 2419 y(for)g(eac)o(h)g(mo)q(dule,)f(0)g(meaning)g(do)h(not)g(run)g (that)g(mo)q(dule,)f(1)g(meaning)g(do)g(run)i(it.)j(The)d(default)f(is) g(CONTR)o(OL)g(1)f(1)h(1)0 2475 y(1,)f(run)h(all)f(mo)q(dules.)0 2554 y(The)h(syn)o(tax)g(is:)k(CONTR)o(OL)c(p)q(otph)g(paths)g(genfm)o (t)f(\0132c)o(hi)p eop %%Page: 9 9 9 8 bop 0 -84 1950 3 v 0 -100 a Ff(4.)32 b(Chapter)15 b(4:)h(Input)e(\014le)g(and)i(FEFF)g(commands)960 b Fj(9)143 81 y Fc(*)19 b(run)g(genfmt)e(and)h(ff2chi,)f(do)i(not)g(run)f(potph)g (or)h(paths)143 133 y(CONTROL)37 b(0)19 b(0)g(1)g(1)78 b(potph)38 b(paths)f(genfmt)g(ff2chi)0 302 y Ff(DEBYE)42 b Fj(The)19 b(Deb)o(y)o(e)g(card)h(is)e(used)i(to)f(calculate)g(Deb)o (y)o(e-W)m(aller)f(factors)h(for)f(eac)o(h)i(path)f(using)f(the)i (correlated)0 359 y(Deb)o(y)o(e)c(Mo)q(del.)23 b(The)17 b(mo)q(del)d(is)h(b)q(est)i(suited)g(for)e(homogeneous)g(systems,)h (where)g(it)g(is)f(quite)h(accurate.)25 b(CA)o(UTION:)0 416 y(in)13 b(heterogeneous)j(systems)e(the)h(mo)q(del)d(only)h(giv)o (es)h(appro)o(ximate)e(v)n(alues)h(whic)o(h)h(can)g(easily)f(b)q(e)i (o\013)e(b)o(y)h(factors)g(of)f(t)o(w)o(o)0 473 y(or)j(more.)22 b(T)m(emp)q(eratures)16 b(are)g(in)f(K.)h(Default:)k(Use)d(Deb)o(y)o (e-W)m(aller)d(factors)i(from)e(\014les.dat.)23 b(If)16 b(this)f(card)h(is)g(presen)o(t,)0 530 y(explicit)d(Deb)o(y)o(e-W)m (aller)g(factors)h(in)g(\014les.dat)g(are)g(ignored)g(and)f(the)i (correlated)g(Deb)o(y)o(e)f(mo)q(del)e(is)i(used.)0 608 y(The)g(syn)o(tax)g(is:)k(DEBYE)d(temp)q(erature)f(Deb)o(y)o(e-temp)q (erature)143 715 y Fc(DEBYE)37 b(190)19 b(315)57 b(Calculate)17 b(Debye-Wa)o(lle)o(r)g(factors)f(for)j(Cu)g(at)g(190K)0 884 y Ff(HOLE)42 b Fj(The)14 b(HOLE)h(card)f(includes)h(the)f(hole-co)q (de)h(ihole)e(and)h(the)h(amplitude)d(reduction)j(factor)f(S0**2.)j(An) d(en)o(try)0 941 y(of)e(0.0)g(for)h(S0**2)f(giv)o(es)g(the)i(default)e (v)n(alue)g(s02=1.)18 b(T)m(o)12 b(matc)o(h)g(exp)q(erimen)o(t,)g(v)n (alues)h(of)f(s02)h(are)g(t)o(ypically)f(b)q(et)o(w)o(een)i(0.8)0 998 y(and)g(1.0.)j(Defaults)c(if)g(HOLE)i(card)f(is)g(omitted:)j (ihole=1)c(\(K)h(shell\),)g(S02=1.)j(Hole-co)q(des)e(presen)o(tly)g(a)o (v)n(ailable)d(are)i(as)0 1054 y(follo)o(ws)g(\(if)h(y)o(our)h(fa)o(v)o (orite)f(is)h(missing,)e(complain)g(to)h(the)i(authors\):)22 b(0)16 b(=)g(no)g(hole,)f(1)h(=)g(K-shell,)g(2)g(=)g(L1-shell,)f(3)h(=) 0 1111 y(L2-shell,)d(4)g(=)i(L3-shell)0 1189 y(The)f(syn)o(tax)g(is:)k (HOLE)d(ihole)e(S0**2)143 1296 y Fc(HOLE)38 b(1)58 b(1.0)97 b(K-shell)17 b(core)h(hole,)g(S02)g(=)h(1)0 1466 y Ff(POTENTIALS)42 b Fj(The)19 b(data)g(follo)o(wing)d(the)k(POTENTIALS)g(card)f(assigns)g (a)g(unique)g(p)q(oten)o(tial)g(index)g(to)f(eac)o(h)0 1522 y(distinguishable)d(atom.)21 b(The)16 b(p)q(oten)o(tial)f(index)g (ip)q(ot)h(is)f(the)h(index)g(of)f(the)h(p)q(oten)o(tial)f(to)g(b)q(e)h (used)h(for)e(the)h(phase)g(shift)0 1579 y(calculation.)0 1657 y(The)j(k)o(eyw)o(ord)f(POTENTIALS)h(b)q(egins)f(a)g(unique)g(p)q (oten)o(tial)g(list.)30 b(Eac)o(h)18 b(follo)o(wing)e(line)h(\(un)o (til)h(the)g(next)h(k)o(eyw)o(ord)0 1714 y(card\))d(is)g(a)f(unique)g (p)q(oten)o(tial)g(index,)h(the)g(atomic)e(n)o(um)o(b)q(er)h(and)g (optional)f(tag)h(\(max)f(6)i(c)o(haracters\))h(for)e(that)h(unique)0 1771 y(p)q(oten)o(tial.)h(The)12 b(absorbing)g(atom)e(m)o(ust)h(b)q(e)i (unique)f(p)q(oten)o(tial)f(0.)17 b(These)c(unique)f(p)q(oten)o(tial)g (indices)g(are)h(simply)d(lab)q(els,)0 1828 y(so)h(the)h(order)g(is)f (not)g(imp)q(ortan)o(t,)e(except)k(that)e(the)g(absorbing)g(atom)e(is)i (ip)q(ot)g(0,)g(and)g(y)o(ou)f(ma)o(y)f(not)i(ha)o(v)o(e)g(missing)f (indices)0 1885 y(\(ie,)j(if)h(y)o(ou)f(use)i(ip)q(ot)e(3,)g(y)o(ou)h (m)o(ust)f(also)g(ha)o(v)o(e)h(de\014ned)g(unique)g(p)q(oten)o(tials)g (1)g(and)f(2\).)0 1963 y(T)m(o)f(sa)o(v)o(e)g(time)f(the)i(co)q(de)h (calculates)f(the)g(o)o(v)o(erlapp)q(ed)f(atom)f(p)q(oten)o(tial)h(for) g(eac)o(h)h(unique)f(p)q(oten)o(tial)g(only)g(once,)h(using)f(as)0 2020 y(a)j(sample)e(geometry)h(the)i(\014rst)g(atom)d(in)h(the)i(atom)d (list)h(with)h(a)f(giv)o(en)h(unique)g(p)q(oten)o(tial)f(index.)21 b(Th)o(us)15 b(it)g(is)f(essen)o(tial)0 2076 y(that)d(the)g(neigh)o(b)q (orho)q(o)q(d)g(of)f(that)h(sample)e(atom)g(b)q(e)j(represen)o(tativ)o (e.)19 b(F)m(ailure)10 b(to)g(do)h(so)g(ma)o(y)d(cause)k(the)g(co)q(de) f(to)g(p)q(erform)0 2133 y(p)q(o)q(orly)i(\(See)i(App)q(endix)g(G\).)0 2211 y(Because)i(the)f(phase)g(shift)g(calculation)e(is)h(the)h(most)f (time-consuming)d(part)k(of)f(FEFF,)g(it)g(ma)o(y)f(b)q(e)i(useful)f (to)g(assume)0 2268 y(that)d(the)g(p)q(oten)o(tial)g(for)f(a)h(giv)o (en)f(shell)h(of)f(atoms)g(is)h(the)g(same)f(as)h(that)g(of)g(a)f (previously)h(calculated)g(shell.)17 b(F)m(or)12 b(example,)0 2325 y(in)j(Cu)h(it)f(is)h(a)f(go)q(o)q(d)g(appro)o(ximation)e(to)i (determine)h(p)q(oten)o(tials)f(only)g(for)g(the)i(cen)o(tral)f(atom)d (and)j(the)g(\014rst)h(shell)e(and)0 2382 y(to)e(use)h(the)g(\014rst)g (shell)g(p)q(oten)o(tial)e(\(ip)q(ot=1\))i(for)f(all)f(higher)h (shells.)18 b(Suc)o(h)c(appro)o(ximations)d(should)i(b)q(e)h(c)o(hec)o (k)o(ed)h(in)d(eac)o(h)0 2439 y(case.)143 2545 y Fc(*)19 b(molecular)d(SF6)p eop %%Page: 10 10 10 9 bop 0 -84 1950 3 v 0 -100 a Ff(4.)37 b(Chapter)15 b(4:)21 b(Input)14 b(\014le)h(and)g(FEFF)i(commands)928 b Fj(10)143 81 y Fc(POTENTIALS)143 133 y(*)58 b(potential-i)o(nd)o(ex) 75 b(Z)59 b(tag)339 185 y(0)216 b(16)58 b(S)176 b(Sulfur)17 b(K)i(hole,)f(absorbing)e(atom)339 237 y(1)235 b(9)59 b(F)0 407 y Ff(PRINT)42 b Fj(The)13 b(PRINT)g(card)g(determines)g(ho)o (w)g(m)o(uc)o(h)e(output)i(is)g(prin)o(ted)g(from)e(eac)o(h)j(of)e(the) h(four)g(mo)q(dules.)k(Default)0 463 y(is)d(prin)o(t)f(lev)o(el)h(0)g (for)f(eac)o(h)i(mo)q(dule.)h(See)f(section)g(6)e(for)h(details)f(of)h (con)o(ten)o(ts)h(of)e(these)i(\014les.)0 542 y(The)f(syn)o(tax)g(is:)k (PRINT)c(p)q(otph)g(paths)g(genfm)o(t)e(\0132c)o(hi)16 653 y Fi(potph)104 726 y Fj(0)h(=)h(phase.bin)g(xsect.bin)h(only;)d(1)i (=)g(add)g(misc.dat;)d(2)j(=)g(add)g(p)q(ot.dat,)f(phase.dat;)g(5)h(=)g (add)g(atom.dat)16 816 y Fi(paths)104 890 y Fj(0)h(=)g(paths.dat)g (only;)f(1)h(=)h(add)e(crit.dat;)i(2)e(=)i(add)f(geom.dat;)e(3)i(=)g (add)g(f\(b)q(eta\))h(\014les)f(\(plane)g(w)o(a)o(v)o(e)g Fi(|)p Fj(f\(b)q(eta\))p Fi(|)104 947 y Fj(appro)o(ximations\);)20 b(5)g(=)g(W)m(rite)g(only)f(crit.dat)h(and)g(sa)o(v)o(e)g(geom.dat.)35 b(This)20 b(is)g(v)o(ery)g(useful)g(when)h(exploring)104 1003 y(imp)q(ortance)13 b(of)g(paths)h(for)g(large)f(runs.)19 b(Do)q(es)14 b(not)g(write)g(paths.dat.)16 1093 y Fi(genfmt)104 1167 y Fj(0)f(=)h(\014les.dat,)f(all)f(fe\013NNNN.dat)i(\014les)g(with) f(imp)q(ortance)g(greater)h(than)g(or)f(equal)h(to)f(t)o(w)o(o)g (thirds)h(of)f(the)h(curv)o(ed)104 1224 y(w)o(a)o(v)o(e)f(imp)q (ortance)g(criterion;)h(1)g(=)g(k)o(eep)g(all)f(fe\013NNNN.dat)h (\014les)16 1314 y Fi(ff2chi)104 1387 y Fj(0)h(=)g(c)o(hi.dat;)g(1)g(=) g(add)g(sig2.dat)f(with)h(Deb)o(y)o(e-W)m(aller)f(factors;)h(2)g(=)h (add)f(c)o(hiNNNN.dat)g(\(c)o(hi)g(from)e(eac)o(h)j(path)104 1444 y(individually\))11 b(This)j(can)g(quic)o(kly)f(\014ll)g(up)h(y)o (our)g(disk)f(if)g(y)o(ou're)h(doing)f(a)h(large)f(run.)143 1559 y Fc(*)19 b(add)g(crit.dat)d(and)j(small)e(feffNNNN.d)o(at)f (files)i(to)h(minimum)e(output)143 1611 y(PRINT)37 b(0)i(1)g(1)g(0)0 1789 y Ff(SIG2)i Fj(Global)11 b(Deb)o(y)o(e-W)m(aller)h(factor)h (\(sig2\))g(written)h(to)f(\014les.dat)g(The)g(mo)q(dule)f(\0132c)o (hi,)h(whic)o(h)g(do)q(es)h(the)f(\014nal)g(calcu-)0 1845 y(lation)f(of)g(c)o(hi,)g(reads)i(the)f(Deb)o(y)o(e-W)m(aller)f (factors)h(from)e(\014les.dat)i(unless)g(o)o(v)o(er-ridden)h(b)o(y)e (the)i(correlated)f(Deb)o(y)o(e)g(mo)q(del)0 1902 y(\(see)i(the)f (DEBYE)g(card)g(ab)q(o)o(v)o(e.\).)j(This)c(global)f(Deb)o(y)o(e-W)m (aller)g(factor)h(is)g(written)h(to)g(\014les.dat.)j(Y)m(ou)c(can)h (edit)f(\014les.dat)0 1959 y(b)q(efore)i(running)e(mo)q(dule)g(\0132c)o (hi)g(to)h(c)o(hange)g(one)g(or)g(more)f(of)g(the)i(Deb)o(y)o(e-W)m (aller)e(factors.)0 2037 y(The)h(syn)o(tax)g(is:)k(SIG2)13 b(sig2)0 2174 y Ff(TITLE)42 b Fj(Keyw)o(ord)15 b(TITLE)f(follo)o(w)o (ed)e(b)o(y)i(a)g(title)g(line.)k(Y)m(ou)13 b(ma)o(y)f(ha)o(v)o(e)i(up) g(to)g(10)g(of)f(these.)20 b(Titles)14 b(ma)o(y)e(ha)o(v)o(e)i(up)g(to) 0 2230 y(75)f(c)o(haracters,)j(leading)d(blanks)g(in)g(the)i(titles)f (will)e(b)q(e)j(remo)o(v)o(ed.)0 2309 y(The)f(syn)o(tax)g(is:)k(TITLE)c (title)g(line...)104 2415 y Fc(TITLE)37 b(Andradite)f(\(Novak)17 b(and)i(Gibbs,)e(Am.Minera)o(l)g(56,791)g(1971\))104 2467 y(TITLE)37 b(K-shell)17 b(300K)p eop %%Page: 11 11 11 10 bop 0 -84 1950 3 v 0 -100 a Ff(4.)37 b(Chapter)15 b(4:)21 b(Input)14 b(\014le)h(and)g(FEFF)i(commands)928 b Fj(11)0 81 y Ff(4.2.2)48 b(Useful)14 b(Options)0 186 y(CORRECTIONS)42 b Fj(The)14 b(real)f(energy)h(shift)f(will)e(shift)i (E0)g(in)g(the)h(\014nal)e(c)o(hi)h(and)g(the)h(imaginary)c(energy)k (shift)f(adds)0 243 y(broadening)k(to)g(the)g(result.)29 b(The)17 b(energy)h(shift)f(is)g(useful)g(to)g(correct)i(for)e(the)g (error)h(in)f(FEFF's)g(fermi)f(lev)o(el,)h(whic)o(h)0 299 y(is)i(t)o(ypically)f(to)q(o)g(high)h(b)o(y)g(ab)q(out)g(3)f(eV,)i (and)e(the)i(the)g(broadening)f(is)f(t)o(ypically)g(used)i(to)f (correct)i(for)d(instrumen)o(t)0 356 y(broadening,)h(or)f(as)g(a)h (correction)g(to)f(the)h(mean)e(free)j(path)e(calculated)g(b)o(y)g (FEFF.)h(This)f(a\013ects)i(only)d(the)i(mo)q(dule)0 413 y(FF2CHI,)e(whic)o(h)g(com)o(bines)f(the)i(results)g(in)f(all)f(of) h(the)g(fe\013.dat)g(\014les.)29 b(It)17 b(is)g(useful)g(b)q(ecause)i (y)o(ou)e(can)g(simply)e(mak)o(e)0 470 y(these)h(energy)g(corrections)h (and)e(see)h(the)g(results)g(without)f(redoing)g(the)g(en)o(tire)h (XAFS)f(parameter)g(calculation.)21 b(Both)0 527 y(energies)15 b(are)f(in)g(eV.)g Fe(S)r(eeal)q(sotheE)r(X)s(C)s(H)s(AN)5 b(GE)r(car)q(d:)0 605 y Fj(The)14 b(syn)o(tax)g(is:)k(CORRECTIONS)c (real-energy-shift)g(imaginary-energy-shift)104 704 y Fc(*)19 b(Reduce)e(E0)i(by)g(3.0)f(eV)h(and)g(add)f(1)h(eV)g(of)g (broadening)104 756 y(*)g(This)f(will)g(only)g(affect)g(module)f(4,)i (ff2chi)104 808 y(CORRECTIO)o(NS)55 b(3.0)j(1.0)136 b(real)18 b(shift,)g(imag)g(shift)0 968 y Ff(CRITERIA)42 b Fj(Since)21 b(the)f(n)o(um)o(b)q(er)g(of)f(m)o(ultiple)f(scattering)i(paths)h(gets) f(large)g(v)o(ery)g(quic)o(kly)m(,)g(it)f(is)h(necessary)i(to)0 1025 y(eliminate)13 b(as)i(man)o(y)f(paths)h(as)g(p)q(ossible.)22 b(F)m(ortunately)m(,)15 b(w)o(e)g(ha)o(v)o(e)g(found)g(that)g(most)f(m) o(ultiple)f(scattering)j(paths)f(ha)o(v)o(e)0 1082 y(small)d (amplitudes)g(and)i(can)h(b)q(e)f(neglected.)20 b(V)m(arious)13 b(cuto\013)i("criteria")f(are)g(used)h(in)f(FEFF6)g(to)g(limit)e(the)i (n)o(um)o(b)q(er)g(of)0 1139 y(paths)h(to)g(consider.)22 b(These)17 b(criteria)e(are)g(based)h(on)f(the)g(imp)q(ortance)g(of)f (the)i(path,)e(de\014ned)i(as)f(the)h(in)o(tegral)e(o)o(v)o(er)h(the)0 1196 y(full)e(energy)h(range)g(of)g Fi(|)p Fj(c)o(hi\(k\))p Fi(|)p Fj(*dk.)0 1274 y(critcw)g(is)f(the)h(result)g(of)f(the)h(full)e (curv)o(ed)j(w)o(a)o(v)o(e)e(calculation.)j(A)e(calculation)e(of)h (critcw)h(requires)h(a)e(complete)g(spherical)0 1331 y(w)o(a)o(v)o(e)f(calculation,)g(whic)o(h)g(tak)o(es)i(ab)q(out)e(10)g (seconds)j(on)d(a)h(SUN4.)k(The)c(default)g(v)n(alue)f(of)g(critcw)i (is)e(4\045,)g(meaning)f(that)0 1387 y(an)o(y)h(path)h(with)g(mean)f (amplitude)f(exceeding)j(4\045)e(of)g(largest)h(path)g(will)f(b)q(e)h (used)h(in)e(calculation)g(of)h(c)o(hi.)k(The)d(criterion)0 1444 y(critcw)j(is)g(used)g(b)o(y)g(GENFMT;)f(since)h(the)g(XAFS)g (parameter)g(calculation)e(is)i(already)f(done,)h(the)g(sa)o(vings)f (is)h(not)f(in)0 1501 y(computer)d(time,)f(but)i(in)f(disk)g(space)i (and)e(ease)i(of)e(analysis.)k(The)d(v)n(alues)f(of)g(critcw)h(for)g (eac)o(h)g(path)f(are)h(written)g(in)f(the)0 1558 y(\014le)h (\014les.dat)g(written)g(b)o(y)g(mo)q(dule)e(GENFMT.)0 1636 y(critp)o(w)f(is)f(a)h(plane-w)o(a)o(v)o(e)f(appro)o(ximation)d (to)k(c)o(hi.)17 b(This)10 b(is)h(extremely)f(fast)h(to)f(calculate,)h (and)g(is)f(used)i(in)e(the)i(path\014nder.)0 1693 y(The)e(default)g(v) n(alue)g(of)f(critp)o(w)h(is)g(2.5,)g(meaning)e(that)i(an)o(y)f(path)h (with)g(mean)f(amplitude)f(2.5\045)h(of)g(largest)i(path,)f(including)0 1750 y(degeneracy)15 b(factors,)f(\(in)g(plane)f(w)o(a)o(v)o(e)h(appro) o(ximation\))d(will)h(b)q(e)i(k)o(ept.)19 b(An)o(y)13 b(path)h(that)g(do)q(es)h(not)e(meet)h(this)g(criterion)0 1806 y(will)e(not)i(b)q(e)h(written)f(to)g(paths.dat,)f(and)h(there)h (is)f(no)g(need)g(to)g(calculate)g(the)h(XAFS)f(parameters)g(for)f (this)h(path.)19 b(The)0 1863 y(default)e(for)g(critp)o(w)h(is)f(less)h (than)g(that)f(for)h(critcw)g(since)g(some)f(paths)h(are)f(more)g(imp)q (ortan)o(t)f(when)i(the)g(full)e(curv)o(ed)0 1920 y(w)o(a)o(v)o(e)e (calculation)e(is)i(done)g(than)g(they)h(app)q(ear)f(in)g(the)g(plane)g (w)o(a)o(v)o(e)f(appro)o(ximation.)i(Since)g(the)f(plane)g(w)o(a)o(v)o (e)g(estimate)0 1977 y(is)h(extremely)g(fast,)g(use)g(this)h(to)f (\014lter)g(out)g(as)g(man)o(y)e(paths)j(as)f(y)o(ou)g(can.)22 b(The)15 b(\014le)g(crit.dat)g(\(written)h(b)o(y)f(the)g(mo)q(dule)0 2034 y(P)m(A)m(THS\))f(tells)f(y)o(ou)h(critp)o(w)g(for)g(eac)o(h)g (path)g(that)g(passes)h(the)f(criterion.)0 2112 y(The)i(metho)q(d)f(of) f(calculation)h(of)g(these)i(imp)q(ortance)d(factors)i(has)g(b)q(een)g (impro)o(v)o(ed)e(for)h(the)h(curren)o(t)h(release,)g(so)e(don't)0 2169 y(w)o(orry)j(if)f(the)i(v)n(alues)f(for)f(some)g(paths)i(has)f(c)o (hanged)g(sligh)o(tly)f(from)f(previous)j(v)o(ersions.)31 b Fe(D)q(ef)t(aul)q(tv)q(al)q(uescr)q(itcw)22 b Fj(=)0 2225 y(4)p Fe(:)p Fj(\045)p Fe(cr)q(itpw)11 b Fj(=)h(2)p Fe(:)p Fj(5\045)0 2304 y(The)i(syn)o(tax)g(is:)k(CRITERIA)13 b(critcw)i(critp)o(w)104 2409 y Fc(CRITERIA)36 b(6.0)i(3.0)58 b(critcw)17 b(6\045,)h(critpw)g(3\045)104 2513 y(CRITERIA)36 b(0)j(0)137 b(use)18 b(all)h(paths)e(\(cw)i(and)f(pw)h(criteria)e (turned)g(off\))p eop %%Page: 12 12 12 11 bop 0 -84 1950 3 v 0 -100 a Ff(4.)37 b(Chapter)15 b(4:)21 b(Input)14 b(\014le)h(and)g(FEFF)i(commands)928 b Fj(12)0 81 y Ff(ELLIPTICITY)42 b Fj(Ellipticit)o(y)18 b(is)i(the)g(ratio)f(of)g(amplitudes)f(of)i(electric)g(\014eld)g(in)f (t)o(w)o(o)h(orthogonal)e(directions)i(for)0 138 y(elliptically)10 b(p)q(olarized)j(ligh)o(t.)j(Only)c(the)h(absolute)g(v)n(alue)f(of)g (the)h(ratio)e(is)i(imp)q(ortan)o(t)d(for)j(nonmagnetic)e(materials.)16 b(The)0 194 y(presen)o(t)c(co)q(de)g(cannot)f(distinguish)f(left)h(and) g(righ)o(t)f(circular)h(p)q(olarization.)16 b(A)11 b(zero)h(v)n(alue)e (of)g(the)i(ellipticit)o(y)d(corresp)q(onds)0 251 y(to)14 b(linear)f(p)q(olarization,)f(and)i(unit)o(y)f(to)h(circular)g(p)q (olarization.)j(Default)c(v)n(alue)g(is)h(zero.)0 329 y(x,)20 b(y)m(,)g(z)f(are)h(co)q(ordinates)g(of)f(an)o(y)g(nonzero)h(v) o(ector)g(in)f(the)h(direction)f(of)g(inciden)o(t)h(b)q(eam.)33 b(This)19 b(v)o(ector)h(should)f(b)q(e)0 386 y(appro)o(ximately)11 b(normal)h(to)i(the)g(p)q(olarization)f(v)o(ector.)0 464 y(The)h(syn)o(tax)g(is:)k(ELLIPTICITY)c(ellipticit)o(y)f(x)h(y)f(z) 104 579 y Fc(ELLIPTICI)o(TY)36 b(1.0)i(0.0)18 b(0.0)h(-2.0)57 b(for)18 b(circular)f(polarizati)o(on)f(about)i(z-axis)0 757 y Ff(END)42 b Fj(The)13 b(END)g(card)g(marks)f(the)h(end)g(of)g (reading)f(the)i(fe\013.inp)e(\014le;)g(all)g(data)g(follo)o(wing)f (the)i(END)g(card)g(is)g(ignored.)0 814 y(This)h(is)g(optional,)d(but)k (useful)f(when)g(making)d(short)k(runs)f(with)g(only)f(part)h(of)f(an)h (input)g(\014le.)104 921 y Fc(END)77 b(ignore)17 b(any)i(cards)f(in)g (feff.inp)f(that)h(follow)f(this)0 1090 y Ff(NEMAX)43 b Fj(This)15 b(limits)d(the)k(n)o(um)o(b)q(er)e(of)h(energy)h(p)q(oin)o (ts.)21 b(NEMAX)16 b(is)e(normally)f(49,)h(whic)o(h)h(will)f(get)h(y)o (ou)f(to)h(k=20)0 1147 y(in)o(vA.)e(Smaller)g(v)n(alues)h(will)f(a)o(v) o(oid)g(the)i(high)f(energy)h(parts)g(of)f(the)h(calculation)f(and)g (ma)o(y)f(sa)o(v)o(e)h(y)o(ou)g(some)g(time.)k(This)0 1204 y(parameter)d(is)g(used)h(when)g(the)g(scattering)g(phase)g (shifts)g(are)f(calculated,)h(so)f(once)h(y)o(ou)f(ha)o(v)o(e)g (limited)e(the)j(n)o(um)o(b)q(er)f(of)0 1261 y(energy)i(p)q(oin)o(ts,)e (that's)h(what)g(y)o(ou)f(will)f(get)i(for)g(the)g(rest)h(of)e(the)h (calculations)g(y)o(ou)f(do)g(\(based)i(on)e(the)i(phase)f(shifts\).)0 1317 y(T)m(o)d(c)o(hange)h(the)h(n)o(um)o(b)q(er)e(of)g(energy)i(p)q (oin)o(ts,)e(re-run)i(the)g(phase)f(shift)g(calculation.)0 1396 y(The)g(syn)o(tax)g(is:)k(NEMAX)d(nemax)104 1502 y Fc(*)k(use)f(only)h(first)e(40)i(energy)e(grid)h(points)104 1554 y(NEMAX)37 b(40)0 1724 y Ff(NLEG)k Fj(The)19 b(NLEG)g(card)g (limits)d(the)j(n)o(um)o(b)q(er)f(of)g(scattering)h(paths)g(to)f(nleg.) 32 b(If)18 b(nleg)g(is)h(set)g(to)g(2,)g(only)e(single)0 1781 y(scattering)e(paths)f(are)g(found.)k(The)c(default)g(is)f(nleg)h (=)g(8.)0 1859 y(The)g(syn)o(tax)g(is:)k(NLEG)c(nleg)104 1966 y Fc(NLEG)k(2)117 b(find)18 b(only)g(single)g(scatteri)o(ng)e (paths)i(\(ie,)g(2)h(legged)f(paths\))0 2135 y Ff(NOGEOM)42 b Fj(When)14 b(this)g(card)h(is)f(presen)o(t,)i(the)e(\014le)h (geom.dat)d(will)h(not)h(b)q(e)h(pro)q(duced.)20 b(Use)15 b(this)f(option)g(when)g(y)o(ou)0 2192 y(w)o(an)o(t)h(to)h(tak)o(e)g (adv)n(an)o(tage)f(of)g(the)i(symmetry)d(in)h(a)g(cluster)i(to)f(sp)q (eed)h(the)g(path)f(calculation)e(b)o(y)i(using)g(the)g(geom.dat)0 2249 y(\014le)f(pro)q(duced)g(b)o(y)g(the)g(auxilliary)d(co)q(de)j(A)m (TOM)g(rather)g(than)g(letting)f(fe\013)h(pro)q(duce)g(geom.dat)e(from) g(the)i(atom)d(list)i(in)0 2306 y(fe\013.inp.)p eop %%Page: 13 13 13 12 bop 0 -84 1950 3 v 0 -100 a Ff(4.)37 b(Chapter)15 b(4:)21 b(Input)14 b(\014le)h(and)g(FEFF)i(commands)928 b Fj(13)0 81 y Ff(PCRITERIA)42 b Fj(These)14 b(criteria,)e(lik)o(e)g (those)h(describ)q(ed)h(in)e(the)g(CRITERIA)g(card,)h(also)e(limit)f (the)j(n)o(um)o(b)q(er)e(of)h(paths.)0 138 y(Ho)o(w)o(ev)o(er,)i(they)h (are)g(applied)e(in)h(the)h(path\014nder)g(and)f(eliminate)e(unimp)q (ortan)o(t)h(paths)h(while)g(the)h(path\014nder)g(is)f(doing)0 194 y(its)i(searc)o(h.)24 b(The)17 b(path\014nder)f(criteria)g(\(p)q (crit's\))h(do)e(not)h(kno)o(w)f(the)i(degeneracy)g(of)e(a)g(path)h (and)g(are)g(therefore)h(m)o(uc)o(h)0 251 y(less)d(reliable)g(than)f (the)i(curv)o(ed)f(w)o(a)o(v)o(e)g(and)f(plane)h(w)o(a)o(v)o(e)f (criteria)h(in)f(the)h(CRITERIA)g(card)g(ab)q(o)o(v)o(e.)j(These)e (path)f(\014nder)0 308 y(criteria)e(\(k)o(eep)h(and)f(heap\))h(are)f (turned)i(o\013)e(b)o(y)f(default,)h(and)g(w)o(e)g(recommend)f(that)h (they)h(b)q(e)g(used)g(only)e(with)h(v)o(ery)g(large)0 365 y(runs,)i(and)g(then)g(with)g(caution.)0 443 y(The)d(k)o (eep-criterion)g(lo)q(oks)f(at)g(the)h(amplitude)e(of)h(c)o(hi)g(\(in)g (the)h(plane)f(w)o(a)o(v)o(e)g(appro)o(x\))h(for)f(the)h(curren)o(t)h (path)e(and)g(compares)0 500 y(it)g(to)g(a)g(single)h(scattering)g (path)f(of)g(the)h(same)f(e\013ectiv)o(e)h(length.)17 b(T)m(o)10 b(set)h(this)g(v)n(alue,)f(consider)h(the)g(maxim)n(um)6 b(degeneracy)0 557 y(y)o(ou)11 b(exp)q(ect)i(and)e(divide)f(y)o(our)h (plane)h(w)o(a)o(v)o(e)e(criterion)i(b)o(y)f(this)g(n)o(um)o(b)q(er.)17 b(F)m(or)11 b(example,)f(in)g(fcc)i(Cu,)g(t)o(ypical)e(degeneracies)0 613 y(are)j(196)e(for)i(paths)f(with)g(large)g(r,)h(and)f(the)h(minim)n (um)8 b(degeneracy)14 b(is)f(6.)k(So)12 b(a)g(k)o(eep)h(criterion)g(of) f(0.08\045)f(is)h(appropriate)0 670 y(for)i(a)f(p)o(w)h(criteria)g(of)f (2.5\045.)0 748 y(The)h(heap-criterion)h(\014lters)f(paths)g(as)g(the)h (path\014nder)f(puts)h(all)d(paths)j(in)o(to)e(a)g(heap)h(\(a)g (partially)e(ordered)j(data)f(struc-)0 805 y(ture\),)g(then)g(remo)o(v) o(es)e(them)g(in)h(order)h(of)e(increasing)i(total)e(path)h(length.)18 b(Eac)o(h)13 b(path)g(that)g(is)g(remo)o(v)o(ed)g(from)e(the)j(heap)0 862 y(is)g(mo)q(di\014ed)e(and)i(then)h(considered)g(again)e(as)h(part) g(of)f(the)i(searc)o(h)g(algorithm.)h(The)e(heap)g(\014lter)h(is)f (used)g(to)g(decide)h(if)e(a)0 919 y(path)g(has)g(enough)h(amplitude)d (in)i(it)f(to)h(b)q(e)h(w)o(orth)f(further)h(consideration.)k(If)13 b(w)o(e)g(can)h(eliminate)d(a)i(path)g(at)g(this)g(p)q(oin)o(t,)0 976 y(en)o(tire)h(trees)g(of)f(deriv)n(ativ)o(e)f(paths)i(can)f(b)q(e)h (neglected,)g(leading)e(to)h(enormous)f(time)g(sa)o(vings.)17 b(This)c(test)h(do)q(es)g(not)f(come)0 1032 y(in)o(to)i(pla)o(y)f(un)o (til)g(paths)i(with)f(at)g(least)g(4)g(legs)g(are)h(b)q(eing)f (considered,)i(so)e(single)g(scattering)h(and)f(triangular)f(\(2)h(and) g(3)0 1089 y(legged\))g(paths)g(will)f(alw)o(a)o(ys)g(pass)h(this)g (test.)22 b(Because)17 b(only)d(a)h(small)d(part)j(of)g(a)f(path)h(is)g (used)h(for)e(this)h(criterion,)h(it)e(is)0 1146 y(di\016cult)e(to)g (predict)h(what)f(appropriate)g(v)n(alues)g(will)f(b)q(e.)18 b(T)m(o)12 b(use)h(this)f(\(it)g(is)h(only)e(necessary)j(if)e(y)o(our)g (heap)g(is)h(\014lling)d(up,)0 1203 y(and)i(if)g(limiting)d(rmax)i(do)q (esn't)i(help\),)g(study)g(the)g(results)g(in)g(crit.dat)f(from)f(runs) i(with)f(shorter)i(rmax)d(and)h(exp)q(erimen)o(t)0 1259 y(with)i(the)g(heap)g(criterion)g(accordingly)m(.)k(In)13 b(the)i(future,)f(w)o(e)g(hop)q(e)g(to)g(impro)o(v)o(e)e(this)i (\014lter.)0 1338 y(Before)i(using)f(these)i(criterion,)f(study)f(the)h (output)g(in)f(the)h(\014le)f(crit.dat)g(\(use)h(prin)o(t)f(option)g(1) g(for)g(paths,)h(see)g(PRINT)0 1395 y(card\),)e(whic)o(h)g(has)g(the)g (v)n(alues)g(of)f(critp)o(w,)h(k)o(eep)g(factor)g(and)g(heap)g(factor)g (for)g(all)e(paths)i(whic)o(h)g(pass)h(the)f(critp)o(w)g(\014lter.)0 1473 y(Default:)19 b(If)14 b(this)g(card)h(is)g(omitted,)d(the)k(k)o (eep)f(and)f(heap)h(criteria)g(are)g(set)g(to)f(zero,)h(that)g(is,)f (no)g(\014ltering)h(will)e(b)q(e)i(done)0 1530 y(at)f(this)g(step)h(in) e(the)h(calculation.)0 1608 y(The)g(syn)o(tax)g(is:)k(PCRITERIA)c(k)o (eep-criterion)g(heap-criterion)104 1707 y Fc(*)19 b(fcc)f(Cu)h(had)g (degenerac)o(ies)d(from)i(6)h(to)g(196,)f(so)h(correct)e(for)h(this)g (by)104 1759 y(*)h(dividing)e(pw-crit)f(of)j(2.5\045)f(by)h(30)g(to)g (get)f(0.08)g(for)h(keep)f(crit.)37 b(Check)18 b(this)104 1812 y(*)h(empiricall)o(y)d(by)j(running)e(with)h(pcrits)f(turned)h (off)g(and)h(studying)d(crit.dat.)104 1864 y(*)j(After)f(studying)e (crit.dat,)g(choose)i(0.5)g(for)h(heap)f(crit.)104 1916 y(PCRITERIA)55 b(0.08)38 b(0.5)0 2076 y Ff(POLARIZA)l(TION)k Fj(This)14 b(card)i(sp)q(eci\014es)g(the)g(direction)f(of)f(electric)i (\014eld)f(in)f(the)i(inciden)o(t)f(b)q(eam.)20 b(\(Main)14 b(axis)h(of)0 2132 y(the)e(ellipse)f(in)g(the)h(case)g(of)f(elliptical) f(p)q(olarization\).)16 b(x,)c(y)m(,)g(z)h(-)f(co)q(ordinates)h(of)f (an)o(y)f(nonzero)j(v)o(ector.)k(Only)12 b(this)g(card)h(is)0 2189 y(necessary)k(in)d(the)h(case)g(of)f(linear)g(p)q(olarization.)19 b(If)14 b(the)h(POLARIZA)m(TION)g(card)g(is)g(omitted,)e(p)q (olarization)g(a)o(v)o(eraged)0 2246 y(xafs)h(will)e(b)q(e)i (calculated.)0 2324 y(Note)21 b(that)f(p)q(olarization)g(reduces)i(the) f(degeneracy)h(of)e(the)h(paths,)h(increasing)f(the)g(calculation)e (time.)37 b(Cho)q(osing)0 2381 y(p)q(olarization)13 b(in)g(the)i (directions)f(of)f(symmetry)f(axes)j(will)d(yield)h(faster)i(results.)0 2459 y(The)f(syn)o(tax)g(is:)k(POLARIZA)m(TION)c(x)g(y)g(z)104 2554 y Fc(POLARIZAT)o(ION)35 b(1.0)j(2.5)h(0.0)p eop %%Page: 14 14 14 13 bop 0 -84 1950 3 v 0 -100 a Ff(4.)37 b(Chapter)15 b(4:)21 b(Input)14 b(\014le)h(and)g(FEFF)i(commands)928 b Fj(14)0 81 y Ff(RMAX)42 b Fj(The)16 b(RMAX)f(card)h(determines)g(the) g(maxim)n(um)11 b(e\013ectiv)o(e)17 b(distance,)f(rmax,)e(of)g(a)i(giv) o(en)e(path.)23 b(Note)16 b(that)0 138 y(rmax)e(is)h(one-half)f(of)h (the)h(total)e(path)i(length)f(in)g(m)o(ultiple-scattering)e(paths.)23 b(Setting)15 b(this)h(to)q(o)f(large)g(can)g(cause)h(the)0 194 y(heap)e(in)g(the)g(path\014nder)h(to)f(\014ll)f(up.)18 b(Default)13 b(is)h(RMAX)f(=)h(t)o(wice)h(the)f(near)g(neigh)o(b)q(or)g (distance.)0 273 y(The)g(syn)o(tax)g(is:)k(RMAX)c(rmax)104 379 y Fc(RMAX)37 b(5.10)58 b(only)18 b(include)f(paths)g(with)h (effective)f(length)g(up)i(to)g(5.10)f(Ang)0 549 y Ff(RMUL)l(TIPLIER)41 b Fj(The)19 b(use)g(of)e(the)i(RMUL)m(TIPLIER)e(card)i(m)o(ultiples)d (all)h(atomic)g(co)q(ordinates)i(b)o(y)f(a)f(constan)o(t)0 606 y(factor,)c(rm)o(ult.)k(This)d(is)f(useful,)h(for)f(example,)g(if)g (unit)g(cell)h(co)q(ordinates)h(are)f(used.)19 b(\(Default)13 b(v)n(alue)g(rm)o(ult=1.\))0 684 y(The)h(syn)o(tax)g(is:)k(RMUL)m (TIPLIER)13 b(rm)o(ult)104 791 y Fc(RMULTIPLI)o(ER)j(1.01)57 b(\(increase)17 b(distance)o(s)g(by)i(1\045\))0 960 y Ff(SS)41 b Fj(The)12 b(SS)h(card)g(is)f(used)h(when)g(the)g(structure)i (of)c(a)h(giv)o(en)g(shell)g(is)h(unkno)o(wn.)k(No)12 b(m)o(ultiple)e(scattering)j(is)g(pro)q(duced)0 1017 y(but)k(a)g(single)g(scattering)h(path)f(of)g(degeneracy)h(deg)g(is)f (pro)q(duced.)29 b(Ov)o(erlap)17 b(cards)h(ma)o(y)d(b)q(e)j(used)g(to)f (construct)h(the)0 1074 y(p)q(oten)o(tial)f(for)g(suc)o(h)i(a)e(path.) 29 b(The)18 b(parameters)g(are)g(a)f(shell)h(index,)g(whic)o(h)f(is)h (a)f(lab)q(el)g(used)i(for)e(fe\013NNNN.dat)h(\014le)0 1131 y(name,)f(a)g(unique)g(p)q(oten)o(tial)g(index)g(ip)q(ot,)h(iden)o (tifying)d(the)j(unique)g(p)q(oten)o(tial)f(of)f(atom)g(from)g(whic)o (h)h(to)g(scatter,)i(the)0 1187 y(degeneracy)m(,)e(i.e.,)d(the)i(m)o (ultiplicit)o(y)d(of)i(this)g(single)h(scattering)g(path,)g(and)f(the)h (distance)h(to)e(cen)o(tral)h(atom,)e(rss.)24 b(This)0 1244 y(could)14 b(b)q(e)g(used)h(to)f(add)f(single)h(scattering)h(b)q (ey)o(ond)f(the)g(limits)e(of)h(a)h(cluster.)0 1322 y(The)g(syn)o(tax)g (is:)k(SS)c(index)g(ip)q(ot)f(deg)h(rss)104 1429 y Fc(*)39 b(index)e(ipot)57 b(deg)38 b(rss)104 1481 y(SS)58 b(29)97 b(1)h(48)38 b(5.98)136 b(parameters)16 b(for)i(19th)g(shell)g(of)h(Cu)0 1651 y Ff(XANES)42 b Fj(The)18 b(XANES)h(card)f(is)f(used)i(when)f(a)g (calculation)f(of)g(the)h(near)g(edge)h(structure)h(including)c(the)j (atomic)0 1707 y(bac)o(kground)14 b(and)g(absolute)f(energies)j(are)e (desired.)0 1786 y(The)k(XANES)g(calculation)f(is)h(limited)d(to)j(the) g(\(extended\))h(con)o(tin)o(uum)d(sp)q(ectrum)i(b)q(ey)o(ond)g(the)h (F)m(ermi)d(lev)o(el.)29 b(Th)o(us)0 1842 y(b)q(ound)14 b(states)h(are)g(not)e(generally)h(included;)g(ho)o(w)o(ev)o(er,)f(in)h (molecules)f(w)o(eakly)g(b)q(ound)h(states)h(that)f(are)h(b)q(elo)o(w)e (v)n(acuum)0 1899 y(but)f(ab)q(o)o(v)o(e)g(the)g(m)o(u\016n-tin)d(zero) k(sho)o(w)f(up)g(as)f(resonances.)20 b(The)12 b(absolute)g(energies)h (are)f(based)h(on)e(atomic)f(total)h(energy)0 1956 y(calculations)18 b(using)g(the)h(Desclaux)f(co)q(de;)j(the)e(accuracy)g(of)f(this)g (appro)o(ximation)e(v)n(aries)i(from)e(a)i(few)h(eV)g(to)f(a)g(few)0 2013 y(h)o(undred)d(eV)f(for)g(v)o(ery)g(large)f(Z.)h(No)g(parameters)g (are)g(needed.)20 b(Default:)d(XANES)e(not)e(calculated.)0 2149 y Ff(4.2.3)48 b(Sometimes)13 b(useful)h(options)f(for)i(exp)q(ert) g(users)0 2254 y(AF)o(OLP)41 b Fj(This)12 b(automatically)d(o)o(v)o (erlaps)j(all)f(m)o(u\016n-tins)f(to)j(reduce)h(the)e(e\013ects)j(of)c (p)q(oten)o(tial)h(discon)o(tin)o(uities)g(at)g(the)0 2311 y(m)o(u\016n-tins.)k(It)e(is)g(useful)g(in)g(highly)f (inhomogeneous)f(materials.)17 b(It)d(w)o(orks)g(fairly)f(w)o(ell,)g (but)h(ma)o(y)e(fail)g(in)i(some)f(cases.)0 2368 y(See)i(F)o(OLP)f(for) g(non-automatic)d(v)o(ersion.)104 2474 y Fc(AFOLP)96 b(use)18 b(automatic)f(maximum)f(overlapping)p eop %%Page: 15 15 15 14 bop 0 -84 1950 3 v 0 -100 a Ff(4.)37 b(Chapter)15 b(4:)21 b(Input)14 b(\014le)h(and)g(FEFF)i(commands)928 b Fj(15)0 81 y Ff(F)o(OLP)40 b Fj(The)14 b(F)o(OLP)f(card)h(sets)g(a)f (parameter)g(whic)o(h)g(determines)g(b)o(y)g(what)g(factor)g(m)o (u\016n-tin)e(radii)h(are)h(o)o(v)o(erlapp)q(ed.)0 138 y(W)m(e)k(recommend)g(that)h(the)g(AF)o(OLP)g(card)h(b)q(e)f(used)h(In) f(cases)h(with)e(sev)o(ere)j(anisotrop)o(y)m(,)d(and)g(F)o(OLP)i(only)e (used)h(for)0 194 y(diagnostic)13 b(purp)q(oses.)0 273 y(The)h(syn)o(tax)g(is:)k(F)o(OLP)c(ip)q(ot)g(folp)104 379 y Fc(FOLP)k(1)39 b(1.1)f(\(10\045)18 b(overlap)f(of)i(muffin)e(tin) h(of)h(unique)e(potential)g(1\))0 549 y Ff(EX)o(CHANGE)43 b Fj(The)17 b(EX)o(CHANGE)h(card)f(sp)q(eci\014es)i(the)f(energy)f(dep) q(enden)o(t)i(exc)o(hange)f(correlation)f(p)q(oten)o(tial)f(to)0 606 y(b)q(e)i(used.)29 b(\(See)19 b(also)d(the)i(CORRECTIONS)g(card)f (whic)o(h)h(is)f(similar)e(but)i(allo)o(ws)f(the)i(user)h(to)e (re\014ne)h(v)n(alues)f(of)g(vr0)0 662 y(and)h(vi0)f(after)h(a)f (calculation)g(is)g(completed.\))30 b(The)18 b(EX)o(CHANGE)g(card)g (con)o(tains)g(the)h(index)e(of)g(the)i(xc)f(p)q(ot)g(\(ixc\))0 719 y(and)12 b(the)i(constan)o(t)f(imaginary)c(part)k(of)f(the)h (self-energy)h(\(vi0\).)j(The)c(Hedin-Lundqvist)f(self-energy)i (\(default\))e(app)q(ears)0 776 y(to)j(b)q(e)h(the)g(b)q(est)h(c)o (hoice)f(for)f(all)f(applications)g(w)o(e)i(ha)o(v)o(e)f(tested)i(in)e (detail.)22 b(Optionally)14 b(one)i(ma)o(y)d(use)k(the)f(Dirac-Hara)0 833 y(exc)o(hange)h(correlation)f(p)q(oten)o(tial)g(and)g(an)g (appropriate)g(imaginary)d(p)q(oten)o(tial)j(vi0.)24 b(This)16 b(ma)o(y)e(b)q(e)j(useful)f(to)g(correct)0 890 y(FEFF's)f(t)o(ypical)f(error)h(of)f(2)h(eV)g(\(high\))f(in)g(the)i (lo)q(cation)d(of)h(the)i(F)m(ermi)d(lev)o(el)h(and)g(to)h(add)f (instrumen)o(tal)g(broadening.)0 946 y(Defaults)g(if)f(EX)o(CHANGE)h (card)g(is)g(ommi)o(tted:)i(ixc=0)e(\(Hedin-Lundquist\),)g(vr0=0.0)f (vi0=0.0.)0 1025 y(The)h(syn)o(tax)g(is:)k(EX)o(CHANGE)c(ixc)g(vr0)g (vi0)16 1136 y Ff(ixc)h(v)m(alues)104 1209 y Fj(ixc=0:)25 b(Hedin-Lundqvist)18 b(+)g(const)h(imag)c(part;)k(ixc=1:)26 b(Dirac-Hara)17 b(+)h(const)h(imag)c(part;)k(ixc=2:)26 b(ground)104 1266 y(state)14 b(+)h(const)f(imag)e(part;)h(ixc=3:)18 b(Dirac-Hara)13 b(+)i(HL)f(imag)d(part)j(+)g(const)h(imag)c(part)16 1356 y Ff(vi)k(v)m(alues)104 1430 y Fj(vi0)e(is)h(\(the)g(negativ)o(e)g (of)f(the\))i(imaginary)c(const)j(shift)104 1545 y Fc(*Hedin-Lu)o(ndq)o (vi)o(st)i(-2eV)i(edge)g(shift)g(and)g(1eV)h(expt)f(broadening)104 1597 y(EXCHANGE)e(0)k(2.)e(1.)104 1701 y(*Dirac-Ha)o(ra)e(exchange)h (-3)i(eV)f(edge)g(shift)g(and)h(5)g(eV)g(inner)e(potential)104 1753 y(EXCHANGE)f(1)k(3.)e(5.)0 1931 y Ff(ION)42 b Fj(The)20 b(ION)g(card)g(ionizes)f(all)g(atoms)f(with)h(atom)f(t)o(yp)q(e)i(ip)q (ot.)35 b(Negativ)o(e)19 b(v)n(alues)h(and)f(non-in)o(tegers)h(are)g (not)0 1987 y(p)q(ermitted)d(\(ho)o(w)o(ev)o(er,)h(w)o(e)f(ma)o(y)f (allo)o(w)f(these)k(in)d(future)i(v)o(ersions)g(of)e(FEFF\).)i(The)f (ION)h(card)f(is)g(used)h(to)f(ionize)g(all)0 2044 y(atoms)e(of)g(a)g (particular)h(p)q(oten)o(tial)f(index.)25 b(F)m(or)15 b(example,)g(for)g(diatomics)f(lik)o(e)i(Br2,)g(the)g(fully)f(relaxed)h (con\014guration)0 2101 y(has)j(ionization=1)f(on)i(the)f(scattering)i (atom.)32 b(The)20 b(ionization)e(card)i(should)f(b)q(e)h(used)g(with)f (caution;)j(b)q(ecause)f(of)0 2158 y(c)o(harge)16 b(transfer,)f(the)h (actual)f(degree)h(of)f(ionization)e(is)i(not)g(directly)h(related)g (to)e(the)i(c)o(hemical)e(v)n(alency)m(.)21 b(The)15 b(default)0 2215 y(\(non-ionized\))e(scattering)i(p)q(oten)o(tials)e (are)h(often)f(sup)q(erior)i(to)e(those)h(empirically)d(ionized,)i(and) g(the)h(results)h(should)e(b)q(e)0 2271 y(c)o(hec)o(k)o(ed)i(b)q(oth)f (w)o(a)o(ys.)k(Defaults)13 b(if)h(ION)g(cards)g(are)h(ommi)o(tted:)h (atoms)c(are)j(not)f(ionized.)0 2350 y(The)g(syn)o(tax)g(is:)k(ION)c (ip)q(ot)g(ionization)104 2456 y Fc(ION)38 b(1)h(1)58 b(ipot,)18 b(ionizatio)o(n)p eop %%Page: 16 16 16 15 bop 0 -84 1950 3 v 0 -100 a Ff(5.)37 b(Chapter)15 b(5:)21 b(Run)15 b(Con)o(trol)f(Options)1143 b Fj(16)0 81 y Ff(O)o(VERLAP)41 b Fj(The)10 b(O)o(VERLAP)f(card)h(con)o(tains)f (information)e(needed)k(to)e(construct)i(the)f(o)o(v)o(erlapp)q(ed)g (atom)d(p)q(oten)o(tials)0 138 y(when)13 b(atomic)d(co)q(ordinates)j (are)g(not)f(kno)o(wn)g(or)g(sp)q(eci\014ed.)19 b(If)12 b(the)g(atomic)f(p)q(ositions)h(are)g(listed)h(follo)o(wing)c(the)k(A)m (TOMS)0 194 y(cards,)i(the)f(O)o(VERLAP)h(cards)g(are)f(probably)g(not) g(needed.)20 b(The)15 b(O)o(VERLAP)f(card)h(con)o(tains)f(the)h(p)q (oten)o(tial)e(index)i(of)0 251 y(the)g(atom)e(b)q(eing)i(o)o(v)o (erlapp)q(ed)g(and)f(m)o(ust)g(b)q(e)h(follo)o(w)o(ed)f(b)o(y)g(cards)i (sp)q(ecifying)e(the)i(p)q(oten)o(tial)e(index,)g(n)o(um)o(b)q(er)g(of) g(atoms)0 308 y(of)g(a)h(giv)o(en)f(t)o(yp)q(e)h(to)g(b)q(e)g(o)o(v)o (erlapp)q(ed)g(and)f(and)h(their)g(distance)h(to)e(the)h(atom)e(b)q (eing)i(o)o(v)o(erlapp)q(ed.)21 b(This)14 b(option)g(can)h(b)q(e)0 365 y(useful)d(in)f(crystals,)h(esp)q(ecially)g(for)f(distan)o(t)g (shells)h({)f(see)i(sample)d(input)h(\014les)h(for)f(an)h(example.)j (It)d(can)g(also)f(b)q(e)h(useful)f(for)0 422 y(calculating)g(single)h (scattering)h(XAFS)g(in)e(v)o(ery)i(complex)e(materials)f(where)k(v)o (ery)e(little)g(is)g(kno)o(wn)f(ab)q(out)h(the)h(structure.)0 500 y(Y)m(ou)19 b(should)g(v)o(erify)g(that)h(the)g(co)q(ordination)e (c)o(hemistry)h(built)g(in)g(using)g(the)h(O)o(VERLAP)g(cards)g(is)f (realistic;)j(it)d(is)0 557 y(imp)q(ortan)o(t)e(to)i(sp)q(ecify)h(all)e (the)i(close)f(neigh)o(b)q(ors)h(of)e(a)h(t)o(ypical)f(atom)g(in)g(the) i(shell)f(to)g(b)q(e)h(o)o(v)o(erlapp)q(ed.)34 b(The)19 b(most)0 613 y(imp)q(ortan)o(t)c(factor)i(in)f(determining)g(the)h (scattering)h(amplitudes)d(is)i(the)g(atomic)e(n)o(um)o(b)q(er)h(of)h (the)g(scatterer,)i(but)e(the)0 670 y(co)q(ordination)i(c)o(hemistry)h (m)o(ust)f(b)q(e)i(appro)o(ximately)c(correct)22 b(to)e(ensure)h(go)q (o)q(d)f(scattering)h(p)q(oten)o(tials.)36 b(Th)o(us)20 b(it)g(is)0 727 y(imp)q(ortan)o(t)12 b(to)i(sp)q(ecify)g(as)g (accurately)h(as)f(p)q(ossible)g(the)g(co)q(ordination)g(en)o(vironmen) o(t)e(of)i(the)g(scatterer.)0 805 y(The)g(syn)o(tax)g(is:)k(O)o(VERLAP) c(iph)104 912 y Fc(OVERLAP)j(4)176 b(determine)16 b(overlap)h(for)h (3rd)h(shell)e(of)i(Cu)143 964 y(0)39 b(1)19 b(2.55266)76 b(ipot,)18 b(number)f(in)i(shell,)e(distance)143 1016 y(1)39 b(4)19 b(2.55266)143 1068 y(2)39 b(7)19 b(2.55266)143 1120 y(2)39 b(6)19 b(3.61000)143 1172 y(2)g(24)g(4.42133)0 1308 y Ff(4.2.4)48 b(Obscure)14 b(Options)0 1414 y(IORDER)41 b Fj(Order)17 b(of)f(the)h(appro)o(ximatio)o(n)d(to)h(use)i(in)f(mo)q (dule)f(GENFMT.)g(W)m(e)h(use)h(order)g(2,)e(whic)o(h)h(is)g(correct)i (to)0 1470 y(terms)c(of)f(order)i(\(1/pR\)**2,)d(and)i(corresp)q(onds)i (to)e(6x6)f(matrices.)18 b(Ho)o(w)o(ev)o(er,)c(w)o(e)h(do)e(single)h (scattering)h(exactly)m(.)j(This)0 1527 y(appro)o(ximation)11 b(is)j(accurate)h(to)f(within)f(a)g(few)h(p)q(ercen)o(t)i(in)e(ev)o (ery)g(case)h(w)o(e)f(ha)o(v)o(e)g(tried)g(\(that)h(is,)e(higher)h (order)g(do)q(esn't)0 1584 y(c)o(hange)g(the)h(result)f(more)f(than)h (a)g(few)g(p)q(ercen)o(t\).)19 b(Changing)13 b(the)i(default)e(v)n (alues)h(requires)h(some)e(familia)o(rit)o(y)e(with)i(the)0 1641 y(Rehr-Alb)q(ers)f(pap)q(er)f(and)g(the)h(structure)h(of)d(the)h (mo)q(dule)f(GENFMT.)g(T)m(o)g(do)h(so,)g(follo)o(w)e(the)i (instructions)h(in)e(subroutine)0 1697 y(SETLAM.)16 b(Iord)g(is)g (passed)h(to)f(setlam)f(for)g(pro)q(cessing.)26 b(Y)m(ou)15 b(ma)o(y)g(need)i(to)e(c)o(hange)i(the)f(co)q(de)h(parameter)f(lam)o (tot)e(if)0 1754 y(y)o(ou)f(w)o(an)o(t)h(to)f(do)h(higher)f(order)i (calculations.)i(This)d(is)f(another)h(of)g(the)g(arcane)g(cards)h (that)f(w)o(e)g(ha)o(v)o(e)f(used)i(for)e(testing.)0 1811 y(F)m(or)f(details)h(of)f(the)h(algorithm)d(used)k(b)o(y)e (GENFMT,)g(see)i(the)f(pap)q(er)h(b)o(y)e(J.J.Rehr)h(and)f(R.C.Alb)q (ers)g(\(see)i(App)q(endix)f(C,)0 1868 y(references\).)0 1946 y(The)h(syn)o(tax)g(is:)k(IORDER)13 b(iord)0 2115 y Fg(5)67 b(Chapter)23 b(5:)29 b(Run)23 b(Con)n(trol)g(Options)0 2235 y Fj(In)15 b(addition)f(to)g(the)i(CONTR)o(OL)e(card)i(and)e(the)i (FEFF)f(options)g(in)f(fe\013.inp,)g(some)g(parameters)h(in)f(the)i (\014les)f(read)g(b)o(y)0 2291 y(the)f(v)n(arious)f(mo)q(dules)g(can)h (b)q(e)g(c)o(hanged.)19 b(F)m(or)13 b(example,)f(y)o(ou)h(can)h(create) h(y)o(our)f(o)o(wn)f(paths)h(b)o(y)f(editing)h(paths.dat)f(and)0 2348 y(c)o(hange)h(explicit)g(Deb)o(y)o(e-W)m(aller)e(factors)j(in)e (the)i(\014nal)e(result)h(b)o(y)g(editing)f(\014les.dat.)0 2426 y(Users)i(ma)o(y)d(edit)i(the)h(some)e(\014les)h(as)g(a)f(quic)o (k)h(and)f(sometimes)f(con)o(v)o(enien)o(t)i(w)o(a)o(y)f(to)h(prepare)h (a)f(giv)o(en)f(run.)18 b(It)c(is)g(easiest)0 2483 y(to)h(use)g(an)g (existing)f(\014le)h(as)f(a)h(template)f({)g(these)i(\014les)f(are)g (read)h(b)o(y)e(a)h(computer)f(program)f(that)i(is)f(fussy)h(ab)q(out)g (what)0 2540 y(it)f(receiv)o(es.)p eop %%Page: 17 17 17 16 bop 0 -84 1950 3 v 0 -100 a Ff(6.)37 b(Chapter)15 b(6:)21 b(Output)14 b(\014les)1338 b Fj(17)0 81 y(The)14 b(\014les)h(that)f(can)g(b)q(e)g(used)h(in)e(this)h(w)o(a)o(y)f(are)i (paths.dat)e(and)h(\014les.dat.)0 227 y Fd(5.1)56 b(P)n(aths.dat)0 332 y Fj(Y)m(ou)16 b(can)h(mo)q(dify)e(a)h(path,)h(or)g(ev)o(en)g(in)o (v)o(en)o(t)g(new)g(ones.)27 b(F)m(or)17 b(example,)f(y)o(ou)g(could)g (mak)o(e)g(a)g(path)h(to)g(determine)f(the)0 388 y(e\013ect)g(of)e(a)h (fo)q(cusing)f(atom)f(on)i(a)f(distan)o(t)h(scatterer.)23 b(Whatev)o(er)15 b(index)f(y)o(ou)h(en)o(ter)h(for)e(the)h(path)g(will) e(b)q(e)i(used)h(in)e(the)0 445 y(\014lename)f(giv)o(en)h(to)g(the)h (fe\013nnnn.dat)g(\014le;)f(i.e.,)f(for)h(the)h(c)o(hoice,)g(index)f(=) g(845,)g(the)h(exafs)f(parameters)h(will)e(app)q(ear)h(in)0 502 y(fe\013845.dat.)0 580 y(A)h(handy)g(w)o(a)o(y)g(to)g(add)g(a)g (single)g(scattering)h(path)f(of)f(length)h(R)g(is)g(to)g(mak)o(e)f(a)h (2-leg)f(path)h(with)g(the)h(cen)o(tral)g(atom)d(at)0 637 y(\(0,)g(0,)g(0\))h(and)g(the)g(scatterer)i(at)e(\(R,)f(0,)g(0\).)0 715 y(GENFMT)k(will)f(need)i(the)g(p)q(ositions,)f(unique)g(p)q(oten)o (tials,)h(and)f(c)o(haracter)h(tags)f(for)g(eac)o(h)h(atom)d(in)i(the)h (path.)28 b(The)0 772 y(angles)13 b(and)f(leg)h(lengths)g(are)g(prin)o (ted)h(out)e(for)h(y)o(our)f(information,)e(and)j(y)o(ou)f(can)h(omit)e (them)h(when)i(creating)f(y)o(our)f(o)o(wn)0 829 y(paths)h(b)o(y)g (hand.)18 b(The)c(lab)q(el)e(lines)h(in)g(the)h(\014le)f(are)g (required)h(\(there)h(is)e(co)q(de)h(that)f(skips)g(them,)f(and)h(if)f (they're)i(missing,)0 886 y(y)o(ou'll)e(get)i(wrong)g(results\).)0 1031 y Fd(5.2)56 b(Files.dat)0 1136 y Fj(This)16 b(is)f(the)i(list)e (of)g(\014les)h(that)g(\0132c)o(hi)f(uses)i(to)f(calculate)g(c)o(hi.)23 b(It)16 b(includes)g(the)g(\014lenames)f(of)g(the)i(fe\013NNNN.dat)f (\014les)0 1193 y(written)h(b)o(y)g(mo)q(dule)e(GENFMT,)h(curv)o(ed)i (w)o(a)o(v)o(e)e(imp)q(ortance)g(factors,)i(and)e(user-de\014ned)j(Deb) o(y)o(e-W)m(aller)c(factors.)27 b(If)0 1250 y(y)o(ou)14 b(w)o(an)o(t)g(to)h(set)g(Deb)o(y)o(e-W)m(aller)e(factors)i(for)f (individual)f(paths,)h(y)o(ou)h(ma)o(y)d(edit)j(this)f(\014le)h(to)f (set)i(them.)j(FF2CHI)14 b(will)0 1307 y(use)g(the)h(Deb)o(y)o(e-W)m (aller)d(factors)i(in)f(this)h(\014le)f(unless)i(y)o(ou)e(ha)o(v)o(e)g (ask)o(ed)h(to)f(use)i(the)f(correlated)h(Deb)o(y)o(e)e(mo)q(del.)k(Y)m (ou)c(ma)o(y)0 1364 y(also)h(delete)h(\014le)f(names)g(from)e(this)i (\014le)h(if)e(y)o(ou)h(w)o(an)o(t)g(to)g(com)o(bine)f(some)g (particular)h(set)h(of)f(paths.)19 b(\(Sa)o(v)o(e)14 b(the)h(original,)0 1420 y(or)f(y)o(ou'll)e(ha)o(v)o(e)i(to)f(re-run)i (GENFMT!\))0 1499 y(Y)m(ou)e(ma)o(y)f(re-name)g(the)j(fe\013NNNN.dat)e (\014les)h(as)g(long)f(as)g(y)o(ou)g(remem)o(b)q(er)g(to)g(c)o(hange)h (the)g(\014lenames)f(in)g(\014les.dat)g(when)0 1555 y(y)o(ou)g(w)o(an)o (t)h(to)g(calculate)g(the)g(XAFS)g(using)g(FF2CHI.)0 1725 y Fg(6)67 b(Chapter)23 b(6:)29 b(Output)23 b(\014les)0 1853 y Fd(6.1)56 b(phase.bin)0 1958 y Fj(This)14 b(is)g(a)g(binary)g (\014le)g(with)g(the)h(scattering)g(phase)g(shifts)g(for)e(eac)o(h)i (unique)g(p)q(oten)o(tial.)j(It)c(is)h(used)g(b)o(y)f(GENFMT)g(and)0 2015 y(the)g(path\014nder.)0 2161 y Fd(6.2)56 b(paths.dat)0 2266 y Fj(W)m(ritten)12 b(b)o(y)g(the)g(path\014nder,)h(this)f(is)g(a)g (description)h(of)e(all)g(the)h(paths)h(that)f(\014t)g(the)h(criteria)f (used)h(b)o(y)f(the)h(path\014nder.)18 b(It)0 2323 y(is)d(used)h(b)o(y) f(GENFMT.)f(The)i(path)f(descriptions)h(include)f(cartesian)g(co)q (ordinates)h(of)f(atoms)e(in)i(the)g(path,)g(scattering)0 2380 y(angles,)e(leg)h(lengths)g(and)g(degeneracy)m(.)19 b(F)m(or)13 b(details)h(on)g(editing)f(this)h(b)o(y)g(hand,)f(see)i (section)g(4.)p eop %%Page: 18 18 18 17 bop 0 -84 1950 3 v 0 -100 a Ff(6.)37 b(Chapter)15 b(6:)21 b(Output)14 b(\014les)1338 b Fj(18)0 81 y Fd(6.3)56 b(crit.dat)0 186 y Fj(V)m(alues)14 b(of)f(the)h(quan)o(tities)g(tested) i(against)d(the)h(v)n(arious)f(criteria)i(in)e(the)i(path\014nder.)0 332 y Fd(6.4)56 b(geom.dat)0 437 y Fj(W)m(ritten)10 b(b)o(y)f(fe\013)i (for)e(use)i(with)f(the)h(path\014nder,)g(and)f(deleted)h(after)f(use.) 17 b(It)10 b(is)g(an)g(atom)e(list)i(created)h(from)e(the)h(user-input) 0 494 y(list)j(in)h(fe\013.inp.)j(F)m(or)d(more)f(information,)d(see)15 b(the)g(NOGEOM)f(card)h(in)e(section)i(4.)0 639 y Fd(6.5)56 b(\014les.dat)0 744 y Fj(List)12 b(of)f(\014les)i(to)e(use)i(to)f (create)h(c)o(hi.dat.)k(W)m(ritten)12 b(b)o(y)f(GENFMT)h(when)h(the)f (xafs)g(parameters)g(are)g(calculated)g(and)g(used)0 801 y(b)o(y)h(FF2CHI.)h(This)f(con)o(tains)h(the)g(curv)o(ed)h(w)o(a)o (v)o(e)e(imp)q(ortance)g(ratios,)g(whic)o(h)g(y)o(ou)h(ma)o(y)d(wish)j (to)f(study)m(.)18 b(F)m(or)c(details)f(on)0 858 y(editing)g(this)h(b)o (y)g(hand,)f(see)i(section)g(5.)0 1004 y Fd(6.6)56 b(c)n(hi.dat)0 1109 y Fj(Standard)15 b(xafs)g(data)g(k,)g(c)o(hi\(k\),)h Fi(|)p Fj(c)o(hi\(k\))p Fi(|)e Fj(relativ)o(e)i(to)f(threshold)h (\(k=0\):)21 b(The)15 b(header)i(also)d(con)o(tains)h(enough)h(infor-)0 1166 y(mation)c(to)h(sp)q(ecify)i(what)f(mo)q(del)e(w)o(as)i(used)h(to) e(create)j(this)e(\014le.)0 1311 y Fd(6.7)56 b(fe\013NNNN.dat)0 1416 y Fj(E\013ectiv)o(e)18 b(scattering)g(amplitude)d(and)h(phase)i (shift)e(data,)h(with)f(k)h(referenced)i(to)e(threshold)g(for)g(shell)g (nn:)24 b(k,)16 b(phi)p 1907 1416 13 2 v 15 w(c,)0 1473 y Fi(|)p Fj(fe\013)p Fi(|)p Fj(,)d(ph\(fe\013)s(\),)i(redfac,)f(lam)o (b)q(da,)d(Re\(p\))0 1619 y Fd(6.8)56 b(Diagnostic)18 b(\014les)g(from)f(POTPH)16 1719 y Ff(misc.dat)104 1793 y Fj(Header)e(\014le)f(for)f(quic)o(k)h(reference.)16 1883 y Ff(phaseNN.dat)104 1956 y Fj(Complex)e(phase)i(shifts)g(for)g (eac)o(h)g(shell.)16 2046 y Ff(p)q(otNN.dat)104 2119 y Fj(Detailed)f(atomic)f(p)q(oten)o(tials)i(and)g(densities.)16 2209 y Ff(atomNN.dat)104 2283 y Fj(Diagnostic)f(information)e(on)i (Desclaux)h(free)h(atom)d(NN.)p eop %%Page: 19 19 19 18 bop 0 -84 1950 3 v 0 -100 a Ff(6.)37 b(Chapter)15 b(6:)21 b(Output)14 b(\014les)1338 b Fj(19)0 81 y Fd(6.9)56 b(xsect.bin)17 b(and)i(xm)n(u.dat)e(\014les)0 186 y Fj(Dip)q(ole)g (matrix)f(elemen)o(ts)h(and)h(absolute)f(energies)i(for)f(XANES)g (calculations.)29 b(Note:)d(the)18 b(\014le)g(xsect.bin)g(do)q(es)g (not)0 243 y(con)o(tain)c(the)i(fermi-function)c(cuto\013)k(at)e(the)h (edge,)h(while)e(xm)o(u.dat)e(do)q(es.)21 b(The)16 b(\014le)e(xm)o (u.dat)f(con)o(tains)h(b)q(oth)h(XANES)0 299 y(and)d(XAFS)h(data)f(m)o (u,)f(m)o(u)p 438 299 13 2 v 13 w(0,)h(and)g(c)o(hi)g(as)h(functions)f (of)g(absolute)g(energy)i(E,)e(relativ)o(e)g(energy)h(E-e)p 1595 299 V 16 w(f)f(and)g(w)o(a)o(v)o(e)g(n)o(um)o(b)q(er)0 356 y(k.)0 501 y Fd(6.10)56 b(V)-5 b(ariables)18 b(in)h(output)f (\014les)g(and)i(in)e(calculation)g(of)h(XAFS)16 601 y Ff(k)104 673 y Fj(w)o(a)o(v)o(e)13 b(n)o(um)o(b)q(er)h(\(ang**-1\);)f (k=sqrt\(e-e)p 748 673 V 16 w(f)s(\))h(where)i(e)e(is)g(energy)h(and)f (e)p 1237 673 V 15 w(fermi)f(is)h(the)h(fermi)d(lev)o(el)i(computed)g (from)104 730 y(electron)h(gas)e(theory)i(at)f(the)g(a)o(vg)f(in)o (terstitial)g(c)o(harge)i(densit)o(y)16 818 y Ff(c)o(hi\(k\))104 890 y Fj(s0)p Fi(^)p Fj(2)34 b(*)f(redfac)i(sum)p 493 890 V 14 w(shells)g Fe(natsh)p Fj(\()p Fb(j)p Fe(f)t(ef)t(f)t Fb(j)p Fe(=k)q(R)24 b Fb(\003)f(\003)p Fj(2\))f Fb(\003)g(\003)p Fe(exp)p Fj(\()p Fb(\000)p Fj(2)p Fe(R=l)q(ambda)p Fj(\))p Fe(sin)p Fj(\(2)p Fe(k)q(R)h Fj(+)g Fe(ph)p Fj(\()p Fe(f)t(ef)t(f)t Fj(\))j(+)104 947 y Fe(phi)p 165 947 V 15 w(c)p Fj(\)\))p Fe(exp)p Fj(\()p Fb(\000)p Fj(2)p Fe(k)10 b Fb(\003)f(\003)p Fj(2)g Fb(\003)g Fe(sig)q(ma)i Fb(\003)e(\003)p Fj(2\))16 1035 y Ff(phi)p 87 1035 15 2 v 15 w(c)104 1108 y Fj(2*delta)p 238 1108 13 2 v 14 w(l)p 264 1108 V 15 w(c)14 b(-l*pi)e(\(total)i(cen)o (tral)g(atom)e(phase\))16 1196 y Ff(fe\013)104 1268 y Fj(e\013ectiv)o(e)j(curv)o(ed-w)o(a)o(v)o(e)f(bac)o(kscattering)h (amplitude)d(fe\013\(k\))j(in)e(xafs)h(form)o(ula)d(for)i(eac)o(h)i (shell)16 1357 y Ff(ph\(fe\013)5 b(\))104 1429 y Fj(phase)14 b(of)g(fe\013\(k\))g(for)g(eac)o(h)g(shell)16 1517 y Ff(redfac)104 1590 y Fj(exp\(-2)g(imag)d(\(delta)p 441 1590 V 15 w(c\))k(\),)e(total)g(cen)o(tral)i(atom)d(loss)i(factor)16 1678 y Ff(R)104 1750 y Fj(distance)g(to)g(cen)o(tral)h(atom)d(for)h (eac)o(h)i(shell)16 1839 y Ff(natsh)104 1911 y Fj(mean)d(n)o(um)o(b)q (er)i(atoms)e(in)i(eac)o(h)g(shell)16 1999 y Ff(sigma**2)104 2072 y Fj(mean)e(square)j(v)n(ariation)d(of)i(R)f(for)h(eac)o(h)g (shell)16 2160 y Ff(lam)o(b)q(da)104 2232 y Fj(mean)e(free)j(path)f (\(angstroms\))f(=-1./imag)e(\(p\))16 2320 y Ff(kf)104 2393 y Fj(fermi)h(momen)o(tum)e(at)k(a)o(vg)f(in)o(terstitial)g(c)o (harge)h(densit)o(y)16 2481 y Ff(p=p\(r\))104 2554 y Fj(lo)q(cal)f(momen)o(tum)d(\(p\(r\)**2=k**2+kf\(r\)**2+sigma-sigm)n(a) p 1123 2554 V 12 w(f)s(\))p eop %%Page: 20 20 20 19 bop 0 -84 1950 3 v 0 -100 a Ff(7.)37 b(App)q(endix)14 b(A.)i(Cop)o(yrigh)o(t)d(Information,)h(Restrictio)o(ns)f(and)i (License)534 b Fj(20)16 81 y Ff(sigma)104 154 y Fj(self)14 b(energy)g(at)g(energy)h(e,)f(sigma)p 645 154 13 2 v 13 w(f)f(at)h(energy)h(e)p 886 154 V 15 w(f)16 244 y Ff(m)o(u)104 318 y Fj(total)e(absorption)h(cross-section)16 408 y Ff(m)o(u)p 85 408 15 2 v 16 w(0)104 481 y Fj(atomic)e(bac)o (kground)i(absorption)0 650 y Fg(7)67 b(App)r(endix)24 b(A.)e(Cop)n(yrigh)n(t)i(Information,)f(Restrictions)g(and)g(License)0 779 y Fd(7.1)56 b(Restrictions)17 b(and)i(License)e(Information)0 884 y Fj(F)m(e\013)e(is)g(cop)o(yrigh)o(ted)g(soft)o(w)o(are)g(and)f(a) h(license)h(from)d(the)i(Univ)o(ersit)o(y)g(of)f(W)m(ashington)g (O\016ce)h(of)g(T)m(ec)o(hnology)f(T)m(ransfer)0 941 y(m)o(ust)19 b(b)q(e)i(obtained)e(for)h(its)g(use.)37 b(This)20 b(is)g(necessary)i(to)e(protect)h(the)g(in)o(terests)g(of)f (users)h(and)f(the)h(Univ)o(ersit)o(y)f(of)0 998 y(W)m(ashington.)26 b(Both)17 b(academic/non-pro\014t)f(and)h(commercial)d(licenses)k(are)g (a)o(v)n(ailable)c(-)j(see)h(the)g(addendum)e(to)h(this)0 1054 y(do)q(cumen)o(t)12 b(for)h(details.)k(New)d(users)g(should)f (request)h(the)g(latest)f(v)o(ersion)g(of)f(this)h(co)q(de)h(from)d (the)j(authors.)k(The)13 b(license)0 1111 y(ma)o(y)8 b(b)q(e)j(obtained)e(b)o(y)h(writing)g(to)f(FEFF)i(Pro)r(ject,)g(c/o)f (T)m(o)q(dd)g(Case,)h(Dept.)17 b(of)9 b(Ph)o(ysics,)i(FM-15,)f(Univ.)16 b(of)10 b(W)m(ashington,)0 1168 y(Seattle,)k(W)-5 b(A)14 b(98195.)j(T)m(el:)g(\(206\))d(685-4091,)d(E-mail:)16 b(case@ph)o(ys.w)o(ashington.edu)0 1314 y Fd(7.2)56 b(ADDENDUM:)18 b(Go)n(v)n(ernmen)n(t)f(Cop)n(yrigh)n(ts)j(\(DO)e(NOT)h(DELETE\))0 1419 y Fj(This)c(w)o(ork)f(w)o(as)g(supp)q(orted)i(in)f(part)f(b)o(y)h (DOE)g(Gran)o(t)f(DE-F)o(G06-90ER45416.)j(In)d(accordance)i(with)f(the) g(DOE)g(F)-5 b(AR)0 1476 y(rules)15 b(part)f(600.33)e("Righ)o(ts)h(in)g (T)m(ec)o(hnical)g(Data)h(-)f(Mo)q(di\014ed)h(Short)g(F)m(orm")e(the)j (follo)o(wing)c(clause)k(applies)e(to)h(FEFF:)0 1554 y(\(c\)\(1\)The)f(gran)o(tee)e(agrees)i(to)e(and)g(do)q(es)h(hereb)o(y) g(gran)o(t)f(to)h(the)f(U.S.)g(Go)o(v)o(ernmen)o(t)f(and)h(to)g(others) h(acting)f(on)g(its)h(b)q(ehalf:)0 1632 y(\(i\))18 b(A)h(ro)o(y)o(alt)o (y-free,)f(nonexclusiv)o(e,)i(irrev)o(o)q(cable,)f(w)o(orld-wide)f (license)h(for)f(Go)o(v)o(ernmen)o(tal)e(purp)q(oses)k(to)f(repro)q (duce,)0 1689 y(distribute,)e(displa)o(y)m(,)e(and)h(p)q(erform)f(all)g (cop)o(yrigh)o(table)h(material)e(\014rst)j(pro)q(duced)g(or)g(comp)q (osed)e(in)h(the)h(p)q(erformance)0 1746 y(of)c(this)h(gran)o(t)g(b)o (y)f(the)i(gran)o(tee,)f(its)g(emplo)o(y)o(ees)f(or)h(an)o(y)f (individual)f(or)i(concern)h(sp)q(eci\014cally)f(emplo)o(y)o(ed)e(or)i (assigned)g(to)0 1802 y(originate)f(and)h(prepare)h(suc)o(h)g(material) c(and)j(to)g(prepare)h(deriv)n(ativ)o(e)e(w)o(orks)h(based)h(thereon,)0 1881 y(\(ii\))g(A)h(license)g(as)g(aforesaid)f(under)i(an)o(y)e(and)g (all)g(cop)o(yrigh)o(ted)h(or)f(cop)o(yrigh)o(table)g(w)o(ork)h(not)f (\014rst)i(pro)q(duced)g(or)e(com-)0 1937 y(p)q(osed)h(b)o(y)g(the)g (gran)o(tee)h(in)e(the)h(p)q(erformance)g(of)f(this)g(gran)o(t)h(but)g (whic)o(h)f(is)h(incorp)q(orated)g(in)g(the)g(material)d(furnished)0 1994 y(under)19 b(the)f(gran)o(t,)h(pro)o(vided)f(that)g(suc)o(h)g (license)h(shall)e(b)q(e)i(only)e(to)h(the)h(exten)o(t)g(the)f(gran)o (tee)h(no)o(w)f(has,)g(or)g(prior)g(to)0 2051 y(completion)12 b(or)h(close-out)h(of)f(the)h(gran)o(t,)f(ma)o(y)f(acquire)i(the)g (righ)o(t)f(to)g(gran)o(t)h(suc)o(h)g(license)g(without)f(b)q(ecoming)g (liable)f(to)0 2108 y(pa)o(y)h(comp)q(ensation)g(to)h(others)h(solely)e (b)q(ecause)j(of)d(suc)o(h)i(gran)o(t.)0 2186 y(\(c\)\(2\))20 b(The)g(gran)o(tee)g(agrees)h(that)e(it)g(will)f(not)i(kno)o(wingly)d (include)j(an)o(y)f(material)e(cop)o(yrigh)o(ted)j(b)o(y)f(others)h(in) f(an)o(y)0 2243 y(written)13 b(or)f(cop)o(yrigh)o(table)g(material)e (furnished)j(or)g(deliv)o(ered)f(under)i(this)e(gran)o(t)g(without)g(a) g(license)i(as)e(pro)o(vided)g(for)g(in)0 2300 y(paragraph)i (\(c\)\(1\)\(ii\))f(of)h(this)g(section,)g(or)f(without)h(the)g(consen) o(t)h(of)e(the)i(cop)o(yrigh)o(t)e(o)o(wner,)h(unless)h(it)e(obtains)g (sp)q(eci\014c)0 2356 y(written)h(appro)o(v)n(al)f(of)g(the)i(Con)o (tracting)e(O\016cer)i(for)f(the)g(inclusion)f(of)h(suc)o(h)g(cop)o (yrigh)o(t)g(material.)p eop %%Page: 21 21 21 20 bop 0 -84 1950 3 v 0 -100 a Ff(8.)37 b(App)q(endix)14 b(B.)i(Installation)c(Instructions)1044 b Fj(21)0 81 y Fg(8)67 b(App)r(endix)24 b(B.)e(Installation)i(Instructions)0 200 y Fj(The)17 b(program)d(FEFF6)j(is)f(pro)o(vided)g(as)g(a)g(single) g(source)i(\014le,)e(whic)o(h)g(con)o(tains)g(a)g(main)e(program)h(and) h(all)f(necessary)0 257 y(subroutines.)j(Simply)9 b(compile)h(and)i (link)e(on)h(y)o(our)h(system)f(using)g(a)g(F)m(ortran)h(77)f(compiler) f(and)h(y)o(our)g(usual)h(link)o(er.)17 b(The)0 314 y(executable)e (\014le)g(pro)q(duced)g(is)f(all)f(y)o(ou)h(will)f(need.)20 b(The)14 b(co)q(de)h(requires)h(ab)q(out)e(3)g(megab)o(ytes)f(to)h(run) h(on)f(a)g(V)-5 b(AX.)14 b(Since)0 371 y(most)e(of)g(this)h(memory)d (is)j(data)g(space,)h(w)o(e)f(exp)q(ect)h(it)f(to)f(require)i(ab)q(out) f(this)g(amoun)o(t)e(of)h(memory)f(on)i(most)e(mac)o(hines.)0 427 y(PC)j(users,)h(please)f(see)i(section)e(b)q(elo)o(w)g(ab)q(out)g (DOS)f(mac)o(hines.)0 506 y(W)m(e)h(ha)o(v)o(e)h(endea)o(v)o(ored)h(to) e(mak)o(e)g(FEFF)h(p)q(ortable)g(to)f(most)g(mac)o(hines)g(without)g (an)o(y)h(mo)q(di\014cation.)j(If)d(y)o(our)f(mac)o(hine)0 562 y(do)q(es)i(not)f(repro)q(duce)i(the)f(test)g(output)g(\014les)f(c) o(hi.dat)g(and)g(fe\013NNNN.dat)g(to)h(high)e(accuracy)m(,)i(some)e(c)o (hanges)i(ma)o(y)d(b)q(e)0 619 y(needed.)29 b(Please)18 b(rep)q(ort)g(an)o(y)e(problems)g(or)h(w)o(arning)f(messages)i(to)e (the)i(authors,)g(as)f(this)g(will)e(help)j(us)f(ac)o(hiev)o(e)g(full)0 676 y(p)q(ortabilit)o(y)m(.)f(If)e(c)o(hanges)g(are)h(needed,)g(k)o (eep)f(in)f(mind)g(the)h(follo)o(wing)d(p)q(oin)o(ts:)0 754 y(Floating)h(p)q(oin)o(t)g(calculations)h(m)o(ust)f(b)q(e)i(done)f (to)g(precision)h(64)f(bits.)k(Th)o(us)d(the)g(co)q(de)g(uses)g(double) f(precision)h(v)n(ariables)0 811 y(throughout,)e(i.e.,)f(real*8)h(for)g (real)h(n)o(um)o(b)q(ers)f(and)g(complex*16)e(for)i(complex)f(n)o(um)o (b)q(ers.)17 b(If)12 b(y)o(our)h(mac)o(hine)e(uses)i(8)f(b)o(ytes)0 868 y(for)i(single)g(precision)g(\015oating)g(p)q(oin)o(t)f(n)o(um)o(b) q(ers)h(\(for)g(example,)f(Cra)o(ys)h(and)g(some)g(CDC)f(mac)o (hines\),)g(use)j(the)e(compiler)0 925 y(option)g(to)h(ignore)g(double) g(precision)g(statemen)o(ts)h(in)e(the)i(co)q(de.)22 b(This)15 b(option)g(is)g(a)o(v)n(ailable)d(\(in)j(v)n(arious)g (forms\))e(on)i(all)0 981 y(Cra)o(y)i(and)g(CDC)g(mac)o(hines)f(that)h (w)o(e)h(ha)o(v)o(e)f(seen.)29 b(On)17 b(the)h(CRA)m(Y)f(YMP)g(at)g (Ohio)g(State,)h(the)g(compiler)e(option)g(to)0 1038 y(ignore)e(double)f(precision)i(in)e(the)i(source)g(co)q(de)g(is)221 1145 y Fc(cf77)k(-c)f(-Wf"-dp")0 1256 y Fj(Co)q(de)c(is)f(written)g(in) g(ANSI)h(F)o(OR)m(TRAN)e(77,)g(except)j(that)e(COMPLEX*16)h(v)n (ariables)e(are)i(required.)19 b(Since)14 b(data)e(t)o(yp)q(e)0 1313 y(COMPLEX*16)h(is)f(not)h(part)g(of)f(the)h(ANSI)g(standard,)g (minor)e(compiler-dep)q(enden)o(t)h(mo)q(di\014cation)f(ma)o(y)g(b)q(e) i(necessary)m(.)0 1370 y(W)m(e)j(ha)o(v)o(e)f(used)i(the)g(V)-5 b(AX)17 b(extensions)g(to)e(ANSI)i(F)o(OR)m(TRAN)e(77)g(since)i(they)f (seem)g(to)g(b)q(e)h(the)f(most)f(p)q(ortable.)25 b(The)0 1427 y(non-standard)11 b(statemen)o(ts)g(and)g(in)o(trinsic)g (functions)g(used)g(are:)17 b(COMPLEX*16)11 b(v)n(ariables)f(and)h (arra)o(ys;)h(DIMA)o(G\(arg\))0 1483 y(returns)22 b(a)f(double)f (precision)i(imaginary)c(part)j(of)f(arg;)j(DCMPLX\(arg\))e(returns)h (a)f(complex*16)e(v)o(ersion)i(of)f(arg;)0 1540 y(DBLE\(arg\))14 b(returns)h(a)e(double)h(precision)g(real)g(part)f(of)g(arg;)g(SQR)m (T,)g(EXP)m(,)g(ABS)h(and)g(other)g(generic)h(math)d(functions)0 1597 y(are)i(assumed)g(to)g(accept)h(complex*16)d(argumen)o(ts)h(and)g (return)i(double)f(precision)h(or)e(complex*16)f(results.)0 1675 y(Files)k(are)g(op)q(ened)h(with)e(the)h(OPEN)h(statemen)o(t.)23 b(As)17 b(the)f(ANSI)g(de\014nition)f(giv)o(es)h(some)f(leew)o(a)o(y)g (in)g(ho)o(w)h(the)g(OPEN)0 1732 y(statemen)o(t)i(in)o(teracts)h(with)f (the)g(op)q(erating)g(system,)g(w)o(e)h(ha)o(v)o(e)e(c)o(hosen)i (\014le)f(names)g(and)f(con)o(v)o(en)o(tions)h(that)g(w)o(ork)g(on)0 1789 y(UNIX,)13 b(V)-5 b(AX/VMS,)13 b(IBM)h(PCs)f(\(and)g(clones\))h (with)f(MS)g(F)o(OR)m(TRAN,)f(CRA)m(Y,)g(MA)o(C's)h(and)f(and)h(CDC)g (mac)o(hines.)k(It)0 1846 y(ma)o(y)12 b(b)q(e)i(necessary)i(to)e(mo)q (dify)e(the)i(op)q(en)g(statemen)o(ts)h(on)e(other)i(systems.)0 1991 y Fd(8.1)56 b(PC)19 b(users:)0 2096 y Fj(Because)i(of)d(the)h(a)o (wkw)o(ardness)g(of)f(DOS,)h(man)o(y)e(users)j(do)e(not)h(ha)o(v)o(e)f (F)o(OR)m(TRAN)g(compilers)g(and)g(man)o(y)f(of)h(those)0 2153 y(compilers)c(are)i(di\016cult)e(to)h(use)h(with)f(large)g(co)q (des.)23 b(An)15 b(executable)h(v)o(ersion)f(of)g(FEFF)h(for)e(PCs)i (is)f(a)o(v)n(ailable.)20 b(It)15 b(has)0 2210 y(b)q(een)e(compiled)d (using)i(W)m(atcom's)d(F)o(OR)m(TRAN77)h(compiler)h(whic)o(h)g(w)o (orks)h(with)g(a)f(DOS)h(extender)h(\(DOS4GW\))e(to)h(use)0 2267 y(extended)k(memory)m(.)f(Y)m(ou)e(will)g(need)i(a)e(PC)i(with)e (either)i(a)f(386)f(and)h(387)f(math)f(copro)q(cessor)k(or)e(a)g(486)f (with)h(the)g(math)0 2324 y(copro)q(cessor)19 b(em)o(b)q(edded)e(in)g (it)g(\(SX)g(do)q(es)h(not)f(ha)o(v)o(e)g(this,)g(D)o(X)g(do)q(es\).)28 b(Y)m(ou)17 b(will)f(also)g(need)i(ab)q(out)f(3)g(Megab)o(ytes)h(of)0 2380 y(RAM)12 b(a)o(v)n(ailable,)d(IN)k(ADDITION)f(TO)g(whatev)o(er)h (memory)c(is)j(used)h(b)o(y)f(DOS)g(and)g(memory-residen)o(t)f (utilities.)16 b(Please)0 2437 y(con)o(tact)i(us)f(if)g(y)o(ou)g(need)h (the)g(PC)f(executable.)30 b(Sp)q(ecial)17 b(installation)e (instructions)j(for)f(the)h(PC)f(v)o(ersion)h(are)g(in)e(the)0 2494 y(READ.ME)d(\014le)h(on)g(the)g(PC)g(distribution)g(disk.)p eop %%Page: 22 22 22 21 bop 0 -84 1950 3 v 0 -100 a Ff(9.)32 b(App)q(endix)14 b(C.)i(References)1330 b Fj(22)0 81 y(If)11 b(y)o(ou)g(prefer)h(y)o (our)f(o)o(wn)g(compiler,)f(or)h(are)g(using)g(an)g(op)q(erating)g (system)g(other)h(than)f(DOS,)g(simply)e(compile)h(the)i(source)0 138 y(co)q(de)j(using)e(y)o(our)h(F)o(OR)m(TRAN)f(compiler)f(and)i (link)o(er)g(as)g(y)o(ou)f(w)o(ould)g(for)h(an)o(y)f(other)h(mac)o (hine.)0 283 y Fd(8.2)56 b(MA)n(C)20 b(users:)0 388 y Fj(Disk)o(ettes)14 b(with)f(an)h(executable)g(v)o(ersion)g(of)f(FEFF)h (for)f(MA)o(C's)g(are)h(not)f(y)o(et)h(a)o(v)n(ailable,)d(but)i(could)h (b)q(e)g(giv)o(en)e(su\016cien)o(t)0 445 y(demand.)17 b(Please)e(con)o(tact)f(us)g(if)f(y)o(ou)h(need)h(a)e(MA)o(C)h(v)o (ersion)g(please)h(con)o(tact)f(us.)0 613 y Fg(9)67 b(App)r(endix)24 b(C.)e(References)0 733 y Fj(Please)15 b(cite)f(at)g(least)g(one)g(of)f (the)i(follo)o(wing)c(articles)j(if)f(FEFF)i(is)f(used)g(in)g (published)g(w)o(ork.)16 850 y Ff(1\))h(Multiple)e(scattering)g(XAFS) 104 923 y Fj(J.J.)c(Rehr,)i(S.I.)e(Zabinsky)g(and)h(R.C.)e(Alb)q(ers,)j Fa(High-or)n(der)g(multiple)f(sc)n(attering)h(c)n(alculations)g(of)g (x-r)n(ay-absorption)104 979 y(\014ne)k(structur)n(e)s Fj(,)e Ff(Ph)o(ys.)20 b(Rev.)i(Let.)e(69)p Fj(,)13 b(3397)g(\(1992\).) 16 1068 y Ff(2\))i(X-ra)o(y)h(Absorption)d(Near)j(Edge)f(Structure)e (\(XANES\))104 1141 y Fj(J.J.)g(Rehr,)h Ff(Jpn.)20 b(J.)c(Appl.)k(Ph)o (ys.)g(32)p Fj(,)13 b(8)h(\(1993\).)16 1230 y Ff(3\))h(FEFF)i (standards)104 1303 y Fj(J.J.)i(Rehr,)i(J.)f(Mustre)h(de)f(Leon,)i (S.I.)c(Zabinsky)m(,)j(and)e(R.C.)g(Alb)q(ers,)j Fa(The)n(or)n(etic)n (al)d(X-r)n(ay)h(A)o(bsorption)g(Fine)104 1360 y(Structur)n(e)14 b(Standar)n(ds)s Fj(,)h Ff(J.)g(Am.)22 b(Chem.)f(So)q(c.)g(113)p Fj(,)13 b(5135)g(\(1991\).)16 1449 y Ff(4\))i(T)l(ec)o(hnical)f (reference)g(#1)104 1521 y Fj(J.)g(Mustre)i(de)f(Leon,)g(J.J.)f(Rehr,)h (S.I.)e(Zabinsky)m(,)h(and)h(R.C.)e(Alb)q(ers,)i Fa(A)o(b)g(initio)g (curve)n(d-wave)h(x-r)n(ay-absorption)104 1578 y(\014ne)f(structur)n(e) s Fj(,)e Ff(Ph)o(ys.)20 b(Rev.)i(B44)p Fj(,)13 b(4146)g(\(1991\).)16 1667 y Ff(5\))i(T)l(ec)o(hnical)f(reference)g(#2)104 1740 y Fj(J.J.)j(Rehr)h(and)f(R.C.)f(Alb)q(ers,)j Fa(Sc)n (attering-matrix)e(formulation)h(of)g(curve)n(d-wave)g(multiple-sc)n (attering)e(the)n(ory:)104 1797 y(Applic)n(ation)f(to)f(x-r)n (ay-absorption)h(\014ne)h(structur)n(e)s Fj(,)d Ff(Ph)o(ys.)20 b(Rev.)h(B41)p Fj(,)13 b(8139)g(\(1990\).)0 1965 y Fg(10)66 b(App)r(endix)25 b(D.)c(Sample)j(input)g(\014les)0 2094 y Fd(10.1)56 b(SF6)19 b(Molecule)104 2189 y Fc(TITLE)e(Molecular)g(SF6) 104 2293 y(POTENTIAL)o(S)104 2345 y(*)78 b(ipot)f(z)58 b(tag)241 2397 y(0)78 b(16)58 b(S)157 b(absorbing)16 b(atom)i(must)g(be)h(unique)e(pot)i(0)241 2449 y(1)98 b(9)58 b(F)104 2554 y(ATOMS)p eop %%Page: 23 23 23 22 bop 0 -84 1950 3 v 0 -100 a Ff(11.)32 b(SF6)15 b(Molecule)1530 b Fj(23)104 81 y Fc(*)39 b(x)117 b(y)g(z)98 b(ipot)163 133 y(0)117 b(0)g(0)137 b(0)196 b(S)19 b(absorber)163 185 y(1.56)57 b(0)117 b(0)137 b(1)196 b(6)19 b(F)g(backscatte)o(rs)163 237 y(0)117 b(1.56)57 b(0)137 b(1)163 289 y(0)117 b(0)g(1.56)77 b(1)143 341 y(-1.56)57 b(0)117 b(0)137 b(1)163 393 y(0)97 b(-1.56)57 b(0)137 b(1)163 445 y(0)117 b(0)98 b(-1.56)76 b(1)0 614 y Fg(11)66 b(SF6)23 b(Molecule)104 724 y Fc(TITLE)17 b(Molecular)g(SF6)104 828 y(POTENTIAL)o(S)104 880 y(*)78 b(ipot)f(z)58 b(tag)241 932 y(0)78 b(16)58 b(S)157 b(absorbing)16 b(atom)i(must)g(be)h(unique)e(pot)i(0)241 984 y(1)98 b(9)58 b(F)104 1037 y(RMULTIPLI)o(ER)16 b(1.56)104 1089 y(ATOMS)104 1141 y(*)39 b(x)117 b(y)g(z)98 b(ipot)163 1193 y(0)117 b(0)g(0)137 b(0)196 b(S)19 b(absorber)163 1245 y(1)117 b(0)g(0)137 b(1)196 b(6)19 b(F)g(backscatte)o(rs)163 1297 y(0)117 b(1)g(0)137 b(1)163 1349 y(0)117 b(0)g(1)137 b(1)143 1401 y(-1)117 b(0)g(0)137 b(1)163 1453 y(0)97 b(-1)117 b(0)137 b(1)163 1505 y(0)117 b(0)98 b(-1)136 b(1)0 1651 y Fd(11.1)56 b(Cu)19 b(fcc)g(metal,)d(4)i(shells)104 1746 y Fc(TITLE)f(Cu)i(crystal,)e(4)i(shells)104 1850 y(DEBYE)37 b(190)h(315)77 b(Cu)19 b(at)g(190K,)f(Debye)f(temp)i(315K)f (\(Ashcroft)e(&)j(Mermin\))104 1954 y(*)g(Cu)g(is)g(fcc,)f(lattice)f (parameter)f(a=3.61)h(\(Kittel\))104 2059 y(POTENTIAL)o(S)143 2111 y(0)39 b(29)f(Cu0)143 2163 y(1)h(29)f(Cu)104 2267 y(ATOMS)202 2319 y(.0000)96 b(.0000)g(.0000)37 b(0)78 b(shell)f(0)98 b(.0000)163 2371 y(-1.8050)56 b(-1.8050)95 b(.0000)37 b(1)78 b(shell)f(1)h(2.5527)163 2423 y(-1.8050)d(1.8050)96 b(.0000)37 b(1)182 2475 y(1.8050)57 b(-1.8050)95 b(.0000)37 b(1)182 2527 y(1.8050)76 b(1.8050)96 b(.0000)37 b(1)p eop %%Page: 24 24 24 23 bop 0 -84 1950 3 v 0 -100 a Ff(11.)32 b(SF6)15 b(Molecule)1530 b Fj(24)163 81 y Fc(-1.8050)95 b(.0000)57 b(-1.8050)36 b(1)163 133 y(-1.8050)95 b(.0000)77 b(1.8050)36 b(1)182 185 y(1.8050)96 b(.0000)57 b(-1.8050)36 b(1)182 237 y(1.8050)96 b(.0000)77 b(1.8050)36 b(1)202 289 y(.0000)57 b(-1.8050)f(-1.8050)36 b(1)202 341 y(.0000)57 b(-1.8050)76 b(1.8050)36 b(1)202 393 y(.0000)76 b(1.8050)57 b(-1.8050)36 b(1)202 445 y(.0000)76 b(1.8050)h(1.8050)36 b(1)163 497 y(-3.6100)95 b(.0000)h(.0000)37 b(1)78 b(shell)f(2)h(3.6100)182 549 y(3.6100)96 b(.0000)g(.0000)37 b(1)202 601 y(.0000)57 b(-3.6100)95 b(.0000)37 b(1)202 653 y(.0000)76 b(3.6100)96 b(.0000)37 b(1)202 706 y(.0000)96 b(.0000)57 b(-3.6100)36 b(1)202 758 y(.0000)96 b(.0000)77 b(3.6100)36 b(1)163 810 y(-3.6100)56 b(-1.8050)g(-1.8050)36 b(1)78 b(shell)f(3)h(4.4213)163 862 y(-3.6100)56 b(-1.8050)76 b(1.8050)36 b(1)163 914 y(-3.6100)75 b(1.8050)57 b(-1.8050)36 b(1)163 966 y(-3.6100)75 b(1.8050)i(1.8050)36 b(1)182 1018 y(3.6100)57 b(-1.8050)f(-1.8050)36 b(1)182 1070 y(3.6100)57 b(-1.8050)76 b(1.8050)36 b(1)182 1122 y(3.6100)76 b(1.8050)57 b(-1.8050)36 b(1)182 1174 y(3.6100)76 b(1.8050)h(1.8050)36 b(1)163 1226 y(-1.8050)56 b(-3.6100)g(-1.8050)36 b(1)163 1278 y(-1.8050)56 b(-3.6100)76 b(1.8050)36 b(1)163 1330 y(-1.8050)75 b(3.6100)57 b(-1.8050)36 b(1)163 1382 y(-1.8050)75 b(3.6100)i(1.8050)36 b(1)182 1434 y(1.8050)57 b(-3.6100)f(-1.8050)36 b(1)182 1486 y(1.8050)57 b(-3.6100)76 b(1.8050)36 b(1)182 1538 y(1.8050)76 b(3.6100)57 b(-1.8050)36 b(1)182 1590 y(1.8050)76 b(3.6100)h(1.8050)36 b(1)163 1642 y(-1.8050)56 b(-1.8050)g(-3.6100)36 b(1)163 1695 y(-1.8050)56 b(-1.8050)76 b(3.6100)36 b(1)163 1747 y(-1.8050)75 b(1.8050)57 b(-3.6100)36 b(1)163 1799 y(-1.8050)75 b(1.8050)i(3.6100)36 b(1)182 1851 y(1.8050)57 b(-1.8050)f(-3.6100)36 b(1)182 1903 y(1.8050)57 b(-1.8050)76 b(3.6100)36 b(1)182 1955 y(1.8050)76 b(1.8050)57 b(-3.6100)36 b(1)182 2007 y(1.8050)76 b(1.8050)h(3.6100)36 b(1)163 2059 y(-3.6100)56 b(-3.6100)95 b(.0000)37 b(1)78 b(shell)f(4)h(5.1053)163 2111 y(-3.6100)d(3.6100)96 b(.0000)37 b(1)182 2163 y(3.6100)57 b(-3.6100)95 b(.0000)37 b(1)182 2215 y(3.6100)76 b(3.6100)96 b(.0000)37 b(1)163 2267 y(-3.6100)95 b(.0000)57 b(-3.6100)36 b(1)163 2319 y(-3.6100)95 b(.0000)77 b(3.6100)36 b(1)182 2371 y(3.6100)96 b(.0000)57 b(-3.6100)36 b(1)182 2423 y(3.6100)96 b(.0000)77 b(3.6100)36 b(1)202 2475 y(.0000)57 b(-3.6100)f(-3.6100)36 b(1)202 2527 y(.0000)57 b(-3.6100)76 b(3.6100)36 b(1)p eop %%Page: 25 25 25 24 bop 0 -84 1950 3 v 0 -100 a Ff(11.)32 b(SF6)15 b(Molecule)1530 b Fj(25)202 81 y Fc(.0000)76 b(3.6100)57 b(-3.6100)36 b(1)202 133 y(.0000)76 b(3.6100)h(3.6100)36 b(1)0 276 y Fd(11.2)56 b(YBCO)19 b(High-Tc)f(sup)r(erconductor)104 367 y Fc(TITLE)37 b(YBCO:)18 b(Y)h(BA2)f(CU3)h(O7)117 b(Cu2,)18 b(core)g(hole)104 471 y(RMAX)57 b(4.5)104 576 y(POTENTIAL)o(S)104 628 y(*)78 b(ipot)38 b(z)g(tag)221 680 y(0)59 b(29)38 b(Cu2)221 732 y(1)79 b(8)38 b(O)221 784 y(2)59 b(39)38 b(Y)221 836 y(3)59 b(29)38 b(Cu1)221 888 y(4)59 b(56)38 b(Ba)104 992 y(ATOMS)123 1044 y(0.0000)77 b(0.0000)f(0.0000)g(0)156 b(CU2)38 b(0.0000)123 1148 y(1.9115)77 b(0.0000)f(0.2453)g(1)156 b(O)78 b(1.9272)104 1200 y(-1.9115)e(0.0000)g(0.2453)g(1)156 b(O)78 b(1.9272)123 1252 y(0.0000)f(1.9430)f(0.2687)g(1)156 b(O)78 b(1.9615)123 1304 y(0.0000)57 b(-1.9430)76 b(0.2687)g(1)156 b(O)78 b(1.9615)123 1356 y(0.0000)f(0.0000)56 b(-2.3128)76 b(1)156 b(O)78 b(2.3128)123 1460 y(1.9115)57 b(-1.9430)76 b(1.6821)g(2)156 b(Y)78 b(3.2029)104 1512 y(-1.9115)e(1.9430)g(1.6821)g(2)156 b(Y)78 b(3.2029)104 1565 y(-1.9115)56 b(-1.9430)76 b(1.6821)g(2)156 b(Y)78 b(3.2029)123 1617 y(1.9115)f(1.9430)f(1.6821)g(2)156 b(Y)78 b(3.2029)123 1669 y(0.0000)f(0.0000)f(3.3641)g(3)156 b(CU1)38 b(3.3641)123 1721 y(1.9115)57 b(-1.9430)f(-2.0091)76 b(4)156 b(BA)58 b(3.3861)104 1773 y(-1.9115)76 b(1.9430)56 b(-2.0091)76 b(4)156 b(BA)58 b(3.3861)104 1825 y(-1.9115)e(-1.9430)g (-2.0091)76 b(4)156 b(BA)58 b(3.3861)123 1877 y(1.9115)77 b(1.9430)56 b(-2.0091)76 b(4)156 b(BA)58 b(3.3861)123 1929 y(0.0000)77 b(1.9430)f(3.0955)g(1)156 b(O)78 b(3.6547)123 1981 y(0.0000)57 b(-1.9430)76 b(3.0955)g(1)156 b(O)78 b(3.6547)104 2033 y(-1.9115)e(0.0000)g(3.1188)g(1)156 b(O)78 b(3.6580)123 2085 y(1.9115)f(0.0000)f(3.1188)g(1)156 b(O)78 b(3.6580)123 2137 y(3.8230)f(0.0000)f(0.0000)g(3)156 b(CU1)38 b(3.8230)104 2189 y(-3.8230)76 b(0.0000)g(0.0000)g(3)156 b(CU1)38 b(3.8230)123 2241 y(0.0000)77 b(3.8860)f(0.0000)g(3)156 b(CU1)38 b(3.8860)123 2293 y(0.0000)57 b(-3.8860)76 b(0.0000)g(3)156 b(CU1)38 b(3.8860)123 2345 y(0.0000)77 b(0.0000)56 b(-4.1584)76 b(3)156 b(CU1)38 b(4.1584)104 2397 y(-3.8230)56 b(-1.9430)76 b(0.2687)g(1)156 b(O)78 b(4.2968)123 2449 y(3.8230)f(1.9430)f(0.2687)g (1)156 b(O)78 b(4.2968)123 2502 y(3.8230)57 b(-1.9430)76 b(0.2687)g(1)156 b(O)78 b(4.2968)104 2554 y(-3.8230)e(1.9430)g(0.2687)g (1)156 b(O)78 b(4.2968)p eop %%Page: 26 26 26 25 bop 0 -84 1950 3 v 0 -100 a Ff(12.)32 b(App)q(endix)14 b(E.)i(Co)q(de)g(V)l(ariables,)e(Dimensions)e(and)k(Descripti)o(ons)580 b Fj(26)123 81 y Fc(1.9115)77 b(3.8860)f(0.2453)g(1)156 b(O)78 b(4.3376)123 133 y(1.9115)57 b(-3.8860)76 b(0.2453)g(1)156 b(O)78 b(4.3376)104 185 y(-1.9115)e(3.8860)g(0.2453)g(1)156 b(O)78 b(4.3376)104 237 y(-1.9115)56 b(-3.8860)76 b(0.2453)g(1)156 b(O)78 b(4.3376)0 406 y Fg(12)66 b(App)r(endix)25 b(E.)d(Co)r(de)g(V)-6 b(ariables,)23 b(Dimensions)f(and)h(Descriptions)0 526 y Fj(The)16 b(end)g(of)f(line)g(commen)o(ts)e(w)o(ere)j(remo)o(v)o(ed)f (from)f(the)i(co)q(de)g(b)q(ecause)h(they)f(are)g(not)f(standard)h(F)m (ortran.)22 b(The)16 b(arra)o(y)0 582 y(names)c(are)h(a)g(bit)g (cryptic)g(due)h(to)f(the)g(six)g(c)o(haracter)h(limit)c(in)j(standard) g(F)o(OR)m(TRAN)f({)h(the)h(commen)o(ts)d(included)i(here)0 639 y(explain)j(what)h(the)g(names)g(mean.)25 b(If)17 b(y)o(ou)f(need)i(to)f(run)g(larger)g(problems)f(than)h(the)g (dimension)f(statemen)o(ts)h(in)f(the)0 696 y(co)q(de)e(allo)o(w,)d (simply)g(c)o(hange)j(the)f(dimensions)f(in)h(all)f(the)i(relev)n(an)o (t)f(parameter)g(statemen)o(ts)g(and)g(recompile.)k(Ho)o(w)o(ev)o(er,)0 753 y(dimensions)c(asso)q(ciated)j(with)e(the)h(atom)e(and)h(phase)h (shift)g(co)q(des,)g(e.g.)20 b(the)15 b(n)o(um)o(b)q(er)f(of)g(r-mesh)g (p)q(oin)o(ts)g(and)h(the)g(max)0 809 y(n)o(um)o(b)q(er)e(of)g(angular) g(momen)o(tum)d(lev)o(els)k(should)g(NOT)g(b)q(e)h(c)o(hanged.)0 955 y Fd(12.1)56 b(dim.h:)104 1051 y Fc(c)97 b(These)18 b(names)g(have)g(been)g(checked)f(with)h(all)g(current)f(feff)h(code.) 104 1103 y(c)97 b(Changing)17 b(the)h(common)g(names)f(in)i(the)g (future)e(may)h(be)h(a)h(good)e(idea.)104 1155 y(c)97 b(June)19 b(12,)f(1992)221 1259 y(parameter)f(\(nphx)g(=)j(7\))116 b(!max)18 b(number)g(of)h(unique)e(potential)o(s)g(\(potph\))221 1311 y(parameter)g(\(npotx)g(=)i(nphx\))37 b(!max)18 b(number)g(of)h(unique)e(pots)h(\(genfmt,)f(paths\))221 1363 y(parameter)g(\(nfrx)g(=)j(nphx\))56 b(!max)18 b(number)g(of)h (free)f(atom)g(types)221 1415 y(parameter)f(\(novrx)g(=)i(8\))97 b(!max)18 b(number)g(of)h(overlap)e(shells)221 1467 y(parameter)g (\(natx)g(=)j(250\))76 b(!max)18 b(number)g(of)h(atoms)e(in)i(problem) 221 1519 y(parameter)e(\(ltot)g(=)j(24\))96 b(!max)18 b(number)g(of)h(ang)f(mom)h(\(arrays)d(1:ltot+1\))221 1571 y(parameter)h(\(nrptx)g(=)i(250\))57 b(!Loucks)17 b(r)j(grid)e(used)g(through)f(overlap)221 1623 y(parameter)g(\(nex)h(=) h(100\))96 b(!Number)17 b(of)i(energy)e(points)h(genfmt,)f(etc.)221 1675 y(parameter)g(\(lamtot=1)o(5\))94 b(!Max)18 b(number)g(of)h (distinct)d(lambda's)h(for)h(genfmt)731 1727 y(!15)h(handles)e(iord)h (2)h(and)g(exact)e(ss)221 1779 y(parameter)g(\(mtot=2,n)o(to)o(t=2)o (\))f(!vary)i(mmax)g(and)h(nmax)f(independe)o(nt)o(ly)221 1832 y(parameter)f(\(legtot=7)o(\))114 b(!max)18 b(number)g(of)h(legs,) e(used)h(in)h(genfmt,)731 1884 y(!NOT)f(in)h(path)f(finder)221 1936 y(parameter)f(\(npatx)g(=)i(8\))97 b(!max)18 b(number)g(of)h(path) f(atoms,)f(used)h(in)h(path)731 1988 y(!finder,)e(NOT)h(in)h(genfmt)0 2133 y Fd(12.2)56 b(arra)n(ys.h:)104 2229 y Fc(c)97 b(Notes:)104 2281 y(c)156 b(nat)78 b(number)17 b(of)i(atoms)e(in)i(problem)104 2333 y(c)156 b(nph)78 b(number)17 b(of)i(unique)e(potentials)104 2385 y(c)156 b(nfr)78 b(number)17 b(of)i(unique)e(free)h(atoms)104 2437 y(c)156 b(ihole)38 b(hole)18 b(code)g(of)h(absorbin)o(g)e(atom)104 2489 y(c)156 b(iph=0)18 b(for)g(central)f(atom)104 2541 y(c)156 b(ifr=0)18 b(for)g(central)f(atom)p eop %%Page: 27 27 27 26 bop 0 -84 1950 3 v 0 -100 a Ff(12.)32 b(App)q(endix)14 b(E.)i(Co)q(de)g(V)l(ariables,)e(Dimensions)e(and)k(Descripti)o(ons)580 b Fj(27)104 133 y Fc(c)97 b(Specific)17 b(atom)h(input)g(data)221 185 y(dimension)f(iphat\(nat)o(x\))94 b(!given)18 b(specific)e(atom,)i (which)g(unique)f(pot?)221 237 y(dimension)g(rat\(3,nat)o(x\))94 b(!cartesian)16 b(coords)h(of)i(specific)e(atom)104 341 y(c)97 b(Unique)18 b(potential)e(input)i(data)221 393 y(dimension)f(iatph\(0:n)o(ph)o(x\))55 b(!given)18 b(unique)f(pot,)h (which)g(atom)g(is)h(model?)731 445 y(!\(0)g(if)g(none)f(specified)e (for)i(this)g(unique)g(pot\))221 497 y(dimension)f(ifrph\(0:n)o(ph)o (x\))55 b(!given)18 b(unique)f(pot,)h(which)g(free)g(atom?)221 549 y(dimension)f(xnatph\(0:)o(np)o(hx\))35 b(!given)18 b(unique)f(pot,)h(how)h(many)f(atoms)f(are)i(there)731 601 y(!of)g(this)f(type?)g(\(used)f(for)i(interstit)o(ial)d(calc\))221 653 y(character*6)g(potlbl\(0:)o(nph)o(x\))153 b(!label)18 b(for)g(user)g(convenienc)o(e)221 758 y(dimension)f(folp\(0:np)o(hx)o (\))75 b(!overlap)17 b(factor)g(for)i(rmt)f(calculatio)o(n)221 810 y(dimension)f(novr\(0:np)o(hx)o(\))75 b(!number)17 b(of)i(overlap)e(shells)g(for)i(unique)e(pot)221 862 y(dimension)g(iphovr\(no)o(vr)o(x,0)o(:n)o(phx)o(\))75 b(!unique)17 b(pot)i(for)f(this)g(overlap)f(shell)221 914 y(dimension)g(nnovr\(nov)o(rx)o(,0:)o(np)o(hx\))94 b(!number)17 b(of)i(atoms)f(in)h(overlap)e(shell)221 966 y(dimension)g(rovr\(novr)o(x,)o(0:n)o(ph)o(x\))114 b(!r)19 b(for)g(overlap)e(shell)104 1070 y(c)97 b(Free)19 b(atom)f(data)221 1122 y(dimension)f(ion\(0:nfr)o(x\))94 b(!ionicity,)16 b(input)221 1174 y(dimension)h(iz\(0:nfrx)o(\))114 b(!atomic)17 b(number,)g(input)104 1278 y(c)97 b(ATOM)19 b(output)104 1330 y(c)97 b(Note)19 b(that)f(ATOM)g(output)f(is)i (dimension)o(ed)d(251,)i(all)h(other)e(r)j(grid)104 1382 y(c)97 b(data)19 b(is)f(set)h(to)g(nrptx,)e(currently)f(250)221 1434 y(dimension)h(rho\(251,0)o(:n)o(frx)o(\))173 b(!density*4)o(*pi) 221 1486 y(dimension)17 b(vcoul\(251)o(,0)o(:nf)o(rx)o(\))134 b(!coulomb)17 b(potential)104 1590 y(c)97 b(Overlap)17 b(calculation)f(results)221 1642 y(dimension)h(edens\(nrp)o(tx)o(,0:)o (np)o(hx\))94 b(!overlappe)o(d)17 b(density*4)o(*p)o(i)221 1695 y(dimension)g(vclap\(nrp)o(tx)o(,0:)o(np)o(hx\))94 b(!overlappe)o(d)17 b(coul)h(pot)221 1747 y(dimension)f(vtot)h (\(nrptx,0:)o(np)o(hx\))94 b(!overlappe)o(d)17 b(total)g(potential)104 1851 y(c)97 b(Muffin)18 b(tin)g(calculatio)o(n)f(results)221 1903 y(dimension)g(imt\(0:nph)o(x\))94 b(!r)19 b(mesh)f(index)g(just)g (inside)f(rmt)221 1955 y(dimension)g(inrm\(0:np)o(hx)o(\))75 b(!r)19 b(mesh)f(index)g(just)g(inside)f(rnorman)221 2007 y(dimension)g(rmt\(0:nph)o(x\))94 b(!muffin)17 b(tin)i(radius)221 2059 y(dimension)e(rnrm\(0:np)o(hx)o(\))75 b(!norman)17 b(radius)104 2163 y(c)97 b(PHASE)18 b(output)221 2215 y(complex*16)e(eref\(nex\))271 b(!interstit)o(ial)16 b(energy)h(ref)221 2267 y(complex*16)f(ph\(nex,lto)o(t+1)o(,0)o(:np)o (hx)o(\))36 b(!phase)18 b(shifts)221 2319 y(dimension)f(lmax\(0:np)o (hx)o(\))232 b(!number)17 b(of)i(ang)g(mom)f(levels)0 2462 y Fd(12.3)56 b(lam)n(b)r(da.h:)221 2554 y Fc(common)18 b(/lambda/)p eop %%Page: 28 28 28 27 bop 0 -84 1950 3 v 0 -100 a Ff(12.)37 b(App)q(endix)14 b(E.)i(Co)q(de)g(V)l(ariables,)f(Dimension)o(s)e(and)i(Description)o(s) 575 b Fj(28)202 81 y Fc(4)58 b(mlam\(lamto)o(t\),)36 b(!mu)18 b(for)g(each)g(lambda)202 133 y(5)58 b(nlam\(lamto)o(t\),)36 b(!nu)18 b(for)g(each)g(lambda)202 185 y(1)58 b(lamx,)195 b(!max)18 b(lambda)f(in)i(problem)202 237 y(2)58 b(laml0x,)155 b(!max)18 b(lambda)f(for)h(vectors)f(involving)f(absorbing)h(atom)202 289 y(3)58 b(mmaxp1,)17 b(nmax)58 b(!max)18 b(mu)g(in)h(problem)e(+)i (1,)g(max)g(nu)g(in)f(problem)0 435 y Fd(12.4)56 b(p)r(data.h:)104 530 y Fc(c)97 b(Note)19 b(that)f(leg)g(nleg)g(is)h(the)f(leg)h(ending)e (at)i(the)f(central)f(atom,)h(so)h(that)104 582 y(c)97 b(ipot\(nleg\))16 b(is)j(central)e(atom)h(potential,)e(rat\(nleg\))g (position)g(of)104 634 y(c)97 b(central)17 b(atom.)104 686 y(c)97 b(Central)17 b(atom)h(has)h(ipot=0)104 739 y(c)97 b(For)19 b(later)f(convenien)o(ce)o(,)f(rat\(,0\))f(and)j (ipot\(0\))e(refer)h(to)g(the)h(central)104 791 y(c)97 b(atom,)18 b(and)h(are)f(the)h(same)f(as)g(rat\(,nleg\),)e(ipot\(nleg)o (\).)104 895 y(c)97 b(text)19 b(and)f(title)g(arrays)f(include)g (carriage)f(control)221 947 y(character*8)o(0)g(text,)i(title)221 999 y(character*6)35 b(potlbl)221 1051 y(common)18 b(/str/)f (text\(40\),)75 b(!text)18 b(header)f(from)h(potph)202 1103 y(1)254 b(title\(5\),)75 b(!title)18 b(from)g(paths.dat)202 1155 y(1)254 b(potlbl\(0:np)o(ot)o(x\))114 b(!)20 b(potentia)o(l)d (labels)g(for)h(output)221 1259 y(complex*16)e(ph,)j(eref)221 1311 y(common)f(/pdata/)202 1363 y(1)h(ph\(nex,lto)o(t+)o(1,0)o(:np)o (ot)o(x\),)35 b(!complex)17 b(phase)h(shifts,)202 1415 y(1)666 b(!central)17 b(atom)h(ipot=0)202 1467 y(1)h(rat\(3,0:le)o(gt)o (ot\))o(,)173 b(!position)17 b(of)h(each)g(atom,)g(code)g(units)g (\(bohr\))202 1519 y(1)h(eref\(nex\),)290 b(!complex)17 b(energy)g(reference)202 1571 y(1)i(em\(nex\),)174 b(!energy)16 b(mesh)202 1623 y(1)j(ri\(legtot\))o(,)d(beta\(legtot)o(\),)g (eta\(legtot)o(\),)55 b(!r,)19 b(beta,)e(eta)i(for)f(each)g(leg)202 1676 y(1)h(deg,)f(rnrmav,)f(xmu,)h(edge,)37 b(!\(output)17 b(only\))202 1728 y(1)i(lmax\(nex,0)o(:n)o(pot)o(x\),)133 b(!max)18 b(l)i(with)e(non-zero)e(phase)i(for)g(each)h(energy)202 1780 y(1)g(ipot\(0:leg)o(to)o(t\),)36 b(!potenti)o(al)16 b(for)j(each)f(atom)g(in)h(path)202 1832 y(1)g(iz\(0:npotx)o(\),)95 b(!atomic)16 b(number)i(\(output)f(only\))202 1884 y(1)i(ltext\(40\),)d (ltitle\(5\))o(,)75 b(!length)17 b(of)i(each)f(string)202 1936 y(1)h(nsc,)f(nleg,)136 b(!nscatte)o(rs,)16 b(nlegs)i(\(nleg)f(=)i (nsc+1\))202 1988 y(1)g(npot,)f(ne,)156 b(!number)16 b(of)j(potentials)o(,)e(energy)g(points)202 2040 y(1)i(ik0,)254 b(!index)17 b(of)i(energy)e(grid)h(correspond)o(in)o(g)f(to)h(k=0)h (\(edge\))202 2092 y(1)g(ipath,)57 b(!index)17 b(of)i(current)e(path)h (\(output)f(only\))202 2144 y(1)i(ihole,)57 b(!\(output)16 b(only\))202 2196 y(1)j(l0,)g(il0,)f(!lfinal)f(and)h(lfinal+1)e(\(used) i(for)h(indices\))202 2248 y(1)g(lmaxp1,)37 b(!largest)16 b(lmax)i(in)h(problem)e(+)i(1)202 2300 y(1)g(ntext,)e(ntitle)77 b(!number)16 b(of)j(text)f(and)h(title)e(lines)p eop %%Page: 29 29 29 28 bop 0 -84 1950 3 v 0 -100 a Ff(13.)37 b(App)q(endix)14 b(F.)i(Changes)f(from)g(FEFF)h(5.04)1004 b Fj(29)0 81 y Fg(13)66 b(App)r(endix)25 b(F.)d(Changes)f(from)i(FEFF)g(5.04)0 200 y Fj(W)m(e)10 b(ha)o(v)o(e)f(made)g(some)g(minor)f(c)o(hanges)j(to) f(the)g(input)g(\014les)g(and)g(co)q(de.)17 b(F)m(or)10 b(complete)f(descriptions)i(of)e(the)i(new)f(cards)h(and)0 257 y(mo)q(di\014cations)g(of)i(old)g(ones,)g(see)i(section)f(I)q(I)q (I.)f(With)g(the)h(exception)g(of)e(POLARIZA)m(TION)i(and)f(XANES)h (capabilities,)0 314 y(and)g(impro)o(v)o(ed)e(path)i(\014nder)g(and)g (degeneracy)i(c)o(hec)o(ks,)e(FEFF)h(6)e(is)h(nearly)g(iden)o(tical)f (to)h(FEFF5.)0 392 y(Tw)o(o)f(cards)i(are)f(no)g(longer)g(recognized.) 19 b(These)c(are:)62 503 y Fb(\017)21 b Fj(KLIMIT)14 b(\(replaced)h(b)o(y)f(NEMAX\))62 593 y Fb(\017)21 b Fj(REQUIRE)0 704 y(There)15 b(are)f(sev)o(eral)h(c)o(hanges)f(and)g (new)g(options.)k(These)d(are:)16 814 y Ff(CORRECTIONS)104 888 y Fj(Adds)f(real)g(and)g(imaginary)d(part)j(to)g(energy)16 977 y Ff(CRITERIA)104 1051 y Fj(The)g(imp)q(ortance)f(criteria)h(are)h (no)o(w)e(form)o(ulated)f(di\013eren)o(tly)16 1140 y Ff(CSIG)104 1214 y Fj(Co)q(de)i(no)o(w)f(uses)j(complex)c(momen)o(tum)e (in)k(Deb)o(y)o(e-W)m(aller)e(factors)i(b)o(y)g(default)16 1303 y Ff(NEMAX)104 1377 y Fj(Max)f(n)o(um)o(b)q(er)h(of)f(energy)h (grid)g(p)q(oin)o(ts)g(\(replaces)h(KLIMIT\))16 1466 y Ff(PCRITERIA)104 1540 y Fj(The)f(path)g(\014nder)h(criteria)f(are)g (no)o(w)g(form)o(ulated)e(di\013eren)o(tly)16 1629 y Ff(PRINT)104 1703 y Fj(Sev)o(eral)i(new)g(options)16 1792 y Ff(POTENTIALS)104 1866 y Fj(No)o(w)f(has)h(optional)f(lab)q(els) g(for)h(unique)g(p)q(oten)o(tials)0 1977 y(XANES)d(sp)q(ectra,)i (absolute)e(energies)h(and)f(A)o(tomic)e(Bac)o(kground)i(absorption)f (can)h(b)q(e)h(calculated)f(with)f(the)h(new)h(option)62 2087 y Fb(\017)21 b Fj(XANES)0 2198 y(P)o(olarization)12 b(dep)q(enden)o(t)k(fe\013)e(can)g(b)q(e)h(calculated)f(with)f(the)i (help)f(of)f(the)i(follo)o(wing)c(new)j(cards:)16 2309 y Ff(POLARIZA)l(TION)104 2383 y Fj(Sp)q(eci\014es)h(p)q(olarization)e (v)o(ector)16 2472 y Ff(ELLIPTICITY)104 2546 y Fj(Ellipticit)o(y)f(and) i(direction)g(of)f(the)i(inciden)o(t)f(b)q(eam)e(for)i(the)g (elliptical)f(p)q(olarization.)p eop %%Page: 30 30 30 29 bop 0 -84 1950 3 v 0 -100 a Ff(14.)37 b(App)q(endix)14 b(G.)i(T)l(rouble-sho)q(ot)o(in)o(g)d(FEFF)j(problems)824 b Fj(30)0 81 y Fg(14)66 b(App)r(endix)25 b(G.)d(T)-6 b(rouble-sho)r(oting)24 b(FEFF)f(problems)0 200 y Fj(FEFF)12 b(6)g(has)f(b)q(een)i(extensiv)o(ely)f(tested)i(but)d(o)q(ccasionally)g (new)h(bugs)g(sho)o(w)g(up.)17 b(In)12 b(an)f(e\013ort)i(to)e(main)o (tain)e(trouble-free)0 257 y(co)q(des)15 b(w)o(e)f(tak)o(e)f(all)g(bug) g(rep)q(orts)i(seriously)m(.)j(Often)c(w)o(e)g(receiv)o(e)h(rep)q(orts) g(b)o(y)f(users)h(of)e(older)g(v)o(ersions)i(of)e(FEFF)h(of)f(bugs)0 314 y(that)i(are)g(\014xed)h(in)e(the)i(latest)f(releases.)23 b(Other)16 b(co)q(de)f(failures)g(can)g(often)g(b)q(e)g(traced)h(to)f (input)g(\014le)g(errors,)h(sometimes)0 371 y(quite)h(subtle.)26 b(An)17 b(example)e(w)o(ould)g(b)q(e)i(non-ph)o(ysical)f(widely)g (spaced)i(distributions)e(of)g(atoms.)24 b(Symptoms)14 b(of)i(this)0 427 y(common)10 b(problem)i(are)h(v)o(ery)g(large)f(m)o (u\016n-tin)f(radii)h(\(see)i(the)g(header)f(of)g(an)o(y)f(.dat)g (\014le\))h(and)g(p)q(ossibly)f(a)h(failure)f(of)g(the)0 484 y(phase-shift)i(program)f(to)g(con)o(v)o(erge.)19 b(Another)c(example)e(is)h(an)f(error)i(in)f(assigining)e(p)q(oten)o (tial)i(indices;)f(the)i(\014rst)g(atom)0 541 y(with)d(a)f(giv)o(en)h (p)q(oten)o(tial)f(index)h(m)o(ust)f(ha)o(v)o(e)h(the)g(geometry)g (represen)o(tativ)o(e)h(of)f(this)g(p)q(oten)o(tial)f(t)o(yp)q(e.)18 b(This)12 b(is)g(sometimes)0 598 y(\014xed)j(b)o(y)e(using)h(a)g (somewhat)f(larger)h(cluster;)h(in)f(fact)g(it)g(is)g(usually)f (desirable)i(to)f(ha)o(v)o(e)g(a)f(larger)h(cluster)i(for)e(p)q(oten)o (tial)0 654 y(construction)h(than)f(that)g(used)h(in)f(the)h(XAFS)f (calculation)f(due)i(to)f(errors)h(in)f(the)h(p)q(oten)o(tials)e(at)h (surfaces.)20 b(Unless)15 b(the)0 711 y(atom)10 b(distribution)h(is)h (ph)o(ysically)e(p)q(ossible,)i(y)o(ou)f(can)h(exp)q(ect)h(the)g(co)q (de)f(to)g(ha)o(v)o(e)f(problems.)17 b(If,)11 b(after)h(y)o(ou)f(ha)o (v)o(e)g(v)o(eri\014ed)0 768 y(that)i(y)o(our)g(input)g(\014le)g(is)g (not)f(the)i(problem,)d(the)j(problem)e(p)q(ersists,)i(please)g(con)o (tact)f(us)h(at)f(the)g(e-mail)e(addresses)k(listed)0 825 y(in)e(Sec.)19 b(1.)f(T)m(o)13 b(address)i(y)o(our)f(problem,)e(w)o (e)i(need)h(the)g(follo)o(wing)c(information:)0 971 y Fd(14.1)56 b(FEFF)19 b(Bug)f(and)i(Error)e(Rep)r(ort)51 1071 y Fj(1.)i(Brief)14 b(description)g(of)g(problem.)51 1161 y(2.)20 b(Co)q(de)14 b(and)g(V)m(ersion)g(n)o(um)o(b)q(er)f (\(e.g.,)g(FEFF5)h(v)o(ersion)g(5.03\))51 1251 y(3.)20 b(Input)14 b(\014le)g(causing)g(problem)e Fi(feff.inp)51 1341 y Fj(4.)20 b(If)13 b(a)o(v)n(ailable,)e(attac)o(h)j(sample)f (output)h(\(e.g.)k Fi(chi.dat)p Fj(\))13 b(or)g(log)g(\014le.)p eop %%Trailer end userdict /end-hook known{end-hook}if %%EOF debian/autobk.ps0000644000000000000000000173656711353423664011057 0ustar %!PS-Adobe-2.0 %%Creator: dvipsk 5.58f Copyright 1986, 1994 Radical Eye Software %%Title: autobk.dvi %%Pages: 22 %%PageOrder: Ascend %%BoundingBox: 0 0 612 792 %%DocumentPaperSizes: Letter %%EndComments %DVIPSCommandLine: dvips autobk.dvi -o autobk.ps %DVIPSParameters: dpi=600, comments removed %DVIPSSource: TeX output 1997.09.25:1833 %%BeginProcSet: tex.pro /TeXDict 250 dict def TeXDict begin /N{def}def /B{bind def}N /S{exch}N /X{S N}B /TR{translate}N /isls false N /vsize 11 72 mul N /hsize 8.5 72 mul N /landplus90{false}def /@rigin{isls{[0 landplus90{1 -1}{-1 1} ifelse 0 0 0]concat}if 72 Resolution div 72 VResolution div neg scale isls{landplus90{VResolution 72 div vsize mul 0 exch}{Resolution -72 div hsize mul 0}ifelse TR}if Resolution VResolution vsize -72 div 1 add mul TR[matrix currentmatrix{dup dup round sub abs 0.00001 lt{round}if} forall round exch round exch]setmatrix}N /@landscape{/isls true N}B /@manualfeed{statusdict /manualfeed true put}B /@copies{/#copies X}B /FMat[1 0 0 -1 0 0]N /FBB[0 0 0 0]N /nn 0 N /IE 0 N /ctr 0 N /df-tail{ /nn 8 dict N nn begin /FontType 3 N /FontMatrix fntrx N /FontBBox FBB N string /base X array /BitMaps X /BuildChar{CharBuilder}N /Encoding IE N end dup{/foo setfont}2 array copy cvx N load 0 nn put /ctr 0 N[}B /df{ /sf 1 N /fntrx FMat N df-tail}B /dfs{div /sf X /fntrx[sf 0 0 sf neg 0 0] N df-tail}B /E{pop nn dup definefont setfont}B /ch-width{ch-data dup length 5 sub get}B /ch-height{ch-data dup length 4 sub get}B /ch-xoff{ 128 ch-data dup length 3 sub get sub}B /ch-yoff{ch-data dup length 2 sub get 127 sub}B /ch-dx{ch-data dup length 1 sub get}B /ch-image{ch-data dup type /stringtype ne{ctr get /ctr ctr 1 add N}if}B /id 0 N /rw 0 N /rc 0 N /gp 0 N /cp 0 N /G 0 N /sf 0 N /CharBuilder{save 3 1 roll S dup /base get 2 index get S /BitMaps get S get /ch-data X pop /ctr 0 N ch-dx 0 ch-xoff ch-yoff ch-height sub ch-xoff ch-width add ch-yoff setcachedevice ch-width ch-height true[1 0 0 -1 -.1 ch-xoff sub ch-yoff .1 sub]{ch-image}imagemask restore}B /D{/cc X dup type /stringtype ne{]} if nn /base get cc ctr put nn /BitMaps get S ctr S sf 1 ne{dup dup length 1 sub dup 2 index S get sf div put}if put /ctr ctr 1 add N}B /I{ cc 1 add D}B /bop{userdict /bop-hook known{bop-hook}if /SI save N @rigin 0 0 moveto /V matrix currentmatrix dup 1 get dup mul exch 0 get dup mul add .99 lt{/QV}{/RV}ifelse load def pop pop}N /eop{SI restore userdict /eop-hook known{eop-hook}if showpage}N /@start{userdict /start-hook known{start-hook}if pop /VResolution X /Resolution X 1000 div /DVImag X /IE 256 array N 0 1 255{IE S 1 string dup 0 3 index put cvn put}for 65781.76 div /vsize X 65781.76 div /hsize X}N /p{show}N /RMat[1 0 0 -1 0 0]N /BDot 260 string N /rulex 0 N /ruley 0 N /v{/ruley X /rulex X V}B /V {}B /RV statusdict begin /product where{pop product dup length 7 ge{0 7 getinterval dup(Display)eq exch 0 4 getinterval(NeXT)eq or}{pop false} ifelse}{false}ifelse end{{gsave TR -.1 .1 TR 1 1 scale rulex ruley false RMat{BDot}imagemask grestore}}{{gsave TR -.1 .1 TR rulex ruley scale 1 1 false RMat{BDot}imagemask grestore}}ifelse B /QV{gsave newpath transform round exch round exch itransform moveto rulex 0 rlineto 0 ruley neg rlineto rulex neg 0 rlineto fill grestore}B /a{moveto}B /delta 0 N /tail {dup /delta X 0 rmoveto}B /M{S p delta add tail}B /b{S p tail}B /c{-4 M} B /d{-3 M}B /e{-2 M}B /f{-1 M}B /g{0 M}B /h{1 M}B /i{2 M}B /j{3 M}B /k{ 4 M}B /w{0 rmoveto}B /l{p -4 w}B /m{p -3 w}B /n{p -2 w}B /o{p -1 w}B /q{ p 1 w}B /r{p 2 w}B /s{p 3 w}B /t{p 4 w}B /x{0 S rmoveto}B /y{3 2 roll p a}B /bos{/SS save N}B /eos{SS restore}B end %%EndProcSet %%BeginProcSet: special.pro TeXDict begin /SDict 200 dict N SDict begin /@SpecialDefaults{/hs 612 N /vs 792 N /ho 0 N /vo 0 N /hsc 1 N /vsc 1 N /ang 0 N /CLIP 0 N /rwiSeen false N /rhiSeen false N /letter{}N /note{}N /a4{}N /legal{}N}B /@scaleunit 100 N /@hscale{@scaleunit div /hsc X}B /@vscale{@scaleunit div /vsc X}B /@hsize{/hs X /CLIP 1 N}B /@vsize{/vs X /CLIP 1 N}B /@clip{ /CLIP 2 N}B /@hoffset{/ho X}B /@voffset{/vo X}B /@angle{/ang X}B /@rwi{ 10 div /rwi X /rwiSeen true N}B /@rhi{10 div /rhi X /rhiSeen true N}B /@llx{/llx X}B /@lly{/lly X}B /@urx{/urx X}B /@ury{/ury X}B /magscale true def end /@MacSetUp{userdict /md known{userdict /md get type /dicttype eq{userdict begin md length 10 add md maxlength ge{/md md dup length 20 add dict copy def}if end md begin /letter{}N /note{}N /legal{} N /od{txpose 1 0 mtx defaultmatrix dtransform S atan/pa X newpath clippath mark{transform{itransform moveto}}{transform{itransform lineto} }{6 -2 roll transform 6 -2 roll transform 6 -2 roll transform{ itransform 6 2 roll itransform 6 2 roll itransform 6 2 roll curveto}}{{ closepath}}pathforall newpath counttomark array astore /gc xdf pop ct 39 0 put 10 fz 0 fs 2 F/|______Courier fnt invertflag{PaintBlack}if}N /txpose{pxs pys scale ppr aload pop por{noflips{pop S neg S TR pop 1 -1 scale}if xflip yflip and{pop S neg S TR 180 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{pop S neg S TR pop 180 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{ppr 1 get neg ppr 0 get neg TR}if}{noflips{TR pop pop 270 rotate 1 -1 scale}if xflip yflip and{TR pop pop 90 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{TR pop pop 90 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{TR pop pop 270 rotate ppr 2 get ppr 0 get neg sub neg 0 S TR}if}ifelse scaleby96{ppr aload pop 4 -1 roll add 2 div 3 1 roll add 2 div 2 copy TR .96 dup scale neg S neg S TR}if}N /cp {pop pop showpage pm restore}N end}if}if}N /normalscale{Resolution 72 div VResolution 72 div neg scale magscale{DVImag dup scale}if 0 setgray} N /psfts{S 65781.76 div N}N /startTexFig{/psf$SavedState save N userdict maxlength dict begin /magscale true def normalscale currentpoint TR /psf$ury psfts /psf$urx psfts /psf$lly psfts /psf$llx psfts /psf$y psfts /psf$x psfts currentpoint /psf$cy X /psf$cx X /psf$sx psf$x psf$urx psf$llx sub div N /psf$sy psf$y psf$ury psf$lly sub div N psf$sx psf$sy scale psf$cx psf$sx div psf$llx sub psf$cy psf$sy div psf$ury sub TR /showpage{}N /erasepage{}N /copypage{}N /p 3 def @MacSetUp}N /doclip{ psf$llx psf$lly psf$urx psf$ury currentpoint 6 2 roll newpath 4 copy 4 2 roll moveto 6 -1 roll S lineto S lineto S lineto closepath clip newpath moveto}N /endTexFig{end psf$SavedState restore}N /@beginspecial{SDict begin /SpecialSave save N gsave normalscale currentpoint TR @SpecialDefaults count /ocount X /dcount countdictstack N}N /@setspecial {CLIP 1 eq{newpath 0 0 moveto hs 0 rlineto 0 vs rlineto hs neg 0 rlineto closepath clip}if ho vo TR hsc vsc scale ang rotate rwiSeen{rwi urx llx sub div rhiSeen{rhi ury lly sub div}{dup}ifelse scale llx neg lly neg TR }{rhiSeen{rhi ury lly sub div dup scale llx neg lly neg TR}if}ifelse CLIP 2 eq{newpath llx lly moveto urx lly lineto urx ury lineto llx ury lineto closepath clip}if /showpage{}N /erasepage{}N /copypage{}N newpath }N /@endspecial{count ocount sub{pop}repeat countdictstack dcount sub{ end}repeat grestore SpecialSave restore end}N /@defspecial{SDict begin} N /@fedspecial{end}B /li{lineto}B /rl{rlineto}B /rc{rcurveto}B /np{ /SaveX currentpoint /SaveY X N 1 setlinecap newpath}N /st{stroke SaveX SaveY moveto}N /fil{fill SaveX SaveY moveto}N /ellipse{/endangle X /startangle X /yrad X /xrad X /savematrix matrix currentmatrix N TR xrad yrad scale 0 0 1 startangle endangle arc savematrix setmatrix}N end %%EndProcSet TeXDict begin 40258431 52099146 1000 600 600 (autobk.dvi) @start /Fa 1 111 df<07C007E0001FE03FF80018F8783E003879E01E00307B801F0070 7F001F00607F001F0060FE001F00E0FC001F00C0FC001F00C0F8001F0081F8003F0001F8 003E0001F0003E0001F0003E0003F0007E0003F0007C0003E0007C0003E000FC0007E000 F80807E000F81807C001F81807C001F0180FC001F0380FC003E0300F8003E0700F8003E0 E01F8001E0C01F8001E3C01F0000FF000E00003E00251F7E9D2B>110 D E /Fb 2 22 df20 DI E /Fc 2 42 df<00000C00001C0000380000700000E00001C00003C0000780000F00000F00 001E00003C00003C0000780000F80000F00001F00001E00003E00003E00007C00007C000 07C0000F80000F80000F80001F00001F00001F00003F00003F00003E00003E00007E0000 7E00007E00007E00007C00007C00007C0000FC0000FC0000FC0000FC0000FC0000FC0000 FC0000FC0000FC0000FC0000FC0000FC0000FC0000FC0000FC0000FC0000FC0000FC0000 FC0000FC00007C00007C00007C00007E00007E00007E00007E00003E00003E00003F0000 3F00001F00001F00001F00000F80000F80000F800007C00007C00007C00003E00003E000 01E00001F00000F00000F800007800003C00003C00001E00000F00000F000007800003C0 0001C00000E000007000003800001C00000C166476CA26>40 DI E /Fd 2 70 df<000070000000000000F800000E000001F800003F 000001F800003F000001F800003F000003F800007F000003F800007F000003F000007E00 0003F000007E000007F00000FE000007F00000FE000007E00000FC000007E00000FC0000 0FE00001FC00000FE00001FC00000FC00001F800000FC00001F800001FC00003F800001F C00003F800001F800003F000001F800003F000003F800007F000003F800007F000003F00 0007E000003F000007E000007F00000FE000007F00000FE000007E00000FC000007E0000 0FC00000FE00001FC01800FE00001FC03800FC00001F803000FC00001F803001FC00003F 807001FC00003F806001FC00007F006001FC0000FF006003FE0000FF00E003FE0001DF00 C003FE00039F01C003FF00071F018007FF801E0F838007F7C07807870007E1FFE003FE00 07E07F8000F8000FE000000000000FE000000000000FC000000000000FC000000000001F C000000000001FC000000000001F8000000000001F8000000000003F8000000000003F80 00000000003F0000000000003F0000000000007F0000000000007F0000000000007E0000 000000007E000000000000FE000000000000FE000000000000FC00000000000038000000 00000035417DAB3B>22 D<0000FFFFFFFFFFFFFC0000FFFFFFFFFFFFFC0000FFFFFFFFFF FFFC000000FFC000003FFC0000007F80000003F8000000FF80000001F8000000FF800000 00F8000000FF0000000078000000FF0000000078000000FF0000000038000001FF000000 0038000001FE0000000038000001FE0000000038000001FE0000000038000003FE000000 0030000003FC0000000030000003FC0000000030000003FC0000000030000007FC000000 0030000007F80000600030000007F80000600030000007F80000E0003000000FF80000C0 000000000FF00000C0000000000FF00000C0000000000FF00001C0000000001FF0000180 000000001FE0000380000000001FE0000780000000001FE0000F80000000003FE0007F00 000000003FFFFFFF00000000003FFFFFFF00000000003FFFFFFF00000000007FC0007E00 000000007F80001E00000000007F80001E00000000007F80000E0000000000FF80000C00 00000000FF00000C0000000000FF00000C0000000000FF00001C0000000001FF00001800 03000001FE0000180003000001FE0000180007000001FE0000180006000003FE00000000 06000003FC000000000E000003FC000000000C000003FC000000001C000007FC00000000 18000007F80000000038000007F80000000030000007F8000000007000000FF800000000 7000000FF000000000E000000FF000000001E000000FF000000001C000001FF000000003 C000001FE000000007C000001FE00000000F8000003FE00000003F8000003FE00000007F 0000003FC0000003FF000000FFC000003FFE0000FFFFFFFFFFFFFE0000FFFFFFFFFFFFFE 0000FFFFFFFFFFFFFC000046447CC348>69 D E /Fe 1 1 df0 D E /Ff 61 122 df<1C007F00FF80FF80FF80FF80 FF80FF80FF80FF80FF80FF80FF80FF80FF80FF80FF80FF80FF80FF80FF807F007F007F00 7F007F007F007F007F007F007F007F007F007F007F007F007F007F007F003E0000000000 0000000000000000000000001C007F007F00FF80FF80FF807F007F001C0009396DB830> 33 D<0007C007C0000007C007C000000FE00FE000000FE00FE000000FE00FE000000FE0 0FE000000FE00FE000000FE00FE000000FE00FE000000FE00FE000001FE01FE000001FE0 1FE000001FC01FC000001FC01FC000001FC01FC0007FFFFFFFFF007FFFFFFFFF00FFFFFF FFFF80FFFFFFFFFF80FFFFFFFFFF807FFFFFFFFF003FFFFFFFFE00007F807F8000007F80 7F8000007F007F0000007F007F0000007F007F0000007F007F0000007F007F0000007F00 7F0000007F007F0000007F007F0000007F007F000000FF00FF000000FF00FF00003FFFFF FFFE007FFFFFFFFF00FFFFFFFFFF80FFFFFFFFFF80FFFFFFFFFF807FFFFFFFFF007FFFFF FFFF0001FC01FC000001FC01FC000001FC01FC000003FC03FC000003FC03FC000003F803 F8000003F803F8000003F803F8000003F803F8000003F803F8000003F803F8000003F803 F8000001F001F0000001F001F0000029387DB730>35 D<03C00001E0000FF00003E0001F F80007F0003FFC0007F0003FFC000FF0007FFE000FF0007E7E001FE000FE7F001FE000FE 7F001FC000FC3F003FC000FC3F003FC000FC3F003F8000FC3F007F8000FC3F007F8000FC 3F00FF0000FE7F00FF0000FE7F00FE00007E7E01FE00007FFE01FE00003FFC01FC00003F FC03FC00001FF803FC00000FF007F8000003C007F80000000007F0000000000FF0000000 000FF0000000000FE0000000001FE0000000001FE0000000003FC0000000003FC0000000 003F80000000007F80000000007F80000000007F0000000000FF0000000000FF00000000 01FE0000000001FE0000000001FC0000000003FC0000000003FC0000000003F800000000 07F80000000007F8000000000FF001E000000FF007F800000FE00FFC00001FE01FFE0000 1FE01FFE00001FC03FFF00003FC03FFF00003FC03F3F00007F807F3F80007F807E1F8000 7F007E1F8000FF007E1F8000FF007E1F8000FE007E1F8001FE007E1F8001FE007E1F8003 FC007F3F8003FC003F3F0003F8003FFF0007F8003FFF0007F8001FFE0007F0001FFE0007 F0000FFC0003E00007F80001E00001E00029477DBE30>37 D<07C00FF01FF81FF81FFC1F FC1FFE0FFE07FE007E007E007E007E007E00FE00FC00FC01FC01F803F807F00FF01FE07F E0FFC0FF80FF007C0038000F1D70B730>39 D<0000E000000001F000000003F800000003 F800000003F800000003F800000003F800000003F800003803F803807E03F80FC0FF83F8 3FE0FFC3F87FE0FFF3F9FFE07FFBFBFFC03FFFFFFF800FFFFFFE0003FFFFF80001FFFFF0 00007FFFC000001FFF0000007FFFC00001FFFFF00003FFFFF8000FFFFFFE003FFFFFFF80 7FFBFBFFC0FFF3F9FFE0FFC3F87FE0FF83F83FE07E03F80FC03803F803800003F8000000 03F800000003F800000003F800000003F800000003F800000001F000000000E000002327 7AAE30>42 D<00003E00000000003E00000000007F00000000007F00000000007F000000 00007F00000000007F00000000007F00000000007F00000000007F00000000007F000000 00007F00000000007F00000000007F00000000007F00000000007F00000000007F000000 7FFFFFFFFF007FFFFFFFFF00FFFFFFFFFF80FFFFFFFFFF80FFFFFFFFFF807FFFFFFFFF00 7FFFFFFFFF0000007F00000000007F00000000007F00000000007F00000000007F000000 00007F00000000007F00000000007F00000000007F00000000007F00000000007F000000 00007F00000000007F00000000007F00000000007F00000000003E00000000003E000000 29297DAF30>I<03E00FF01FF81FFC3FFE3FFE3FFF3FFF1FFF1FFF0FFF03FF007F007F00 7E00FE01FC03FC07F83FF07FF0FFE07F807F003C001019708B30>I<7FFFFFFFF07FFFFF FFF0FFFFFFFFF8FFFFFFFFF8FFFFFFFFF87FFFFFFFF07FFFFFFFF025077B9E30>I<0F00 3FC07FE07FE0FFF0FFF0FFF0FFF07FE07FE03FC00F000C0C6E8B30>I<00000000F00000 0001F000000003F800000003F800000007F800000007F80000000FF00000000FF0000000 1FE00000001FE00000003FC00000003FC00000007F800000007F80000000FF00000000FF 00000001FE00000001FE00000001FC00000003FC00000003FC00000007F800000007F800 00000FF00000000FF00000001FE00000001FE00000003FC00000003FC00000007F800000 007F80000000FF00000000FF00000001FE00000001FE00000001FC00000003FC00000003 FC00000007F800000007F80000000FF00000000FF00000001FE00000001FE00000003FC0 0000003FC00000007F800000007F80000000FF00000000FF00000001FE00000001FE0000 0001FC00000003FC00000003FC00000007F800000007F80000000FF00000000FF0000000 1FE00000001FE00000003FC00000003FC00000007F800000007F80000000FF00000000FF 00000000FE00000000FE000000007C000000007C0000000025477BBE30>I<0000FE0000 0007FFC000000FFFE000003FFFF800007FFFFC0000FFFFFE0001FF83FF0003FE00FF8003 FC007F8007F8003FC00FF0001FE00FE0000FE01FE0000FF01FC00007F01FC00007F03F80 0003F83F800003F83F000001F87F000001FC7F000001FC7F000001FC7F000001FCFE0000 00FEFE000000FEFE000000FEFE000000FEFE000000FEFE000000FEFE000000FEFE000000 FEFE000000FEFE000000FEFE000000FEFE000000FEFE000000FEFF000001FE7F000001FC 7F000001FC7F000001FC7F800003FC3F800003F83F800003F83FC00007F81FC00007F01F C00007F01FE0000FF00FF0001FE00FF0001FE007F8003FC003FC007F8003FE00FF8001FF 83FF0000FFFFFE00007FFFFC00003FFFF800000FFFE0000007FFC0000000FE0000273A7C B830>I<0003C0000007E0000007E000000FE000000FE000001FE000001FE000003FE000 007FE00000FFE00003FFE0003FFFE000FFFFE000FFFFE000FFEFE000FF8FE0007E0FE000 000FE000000FE000000FE000000FE000000FE000000FE000000FE000000FE000000FE000 000FE000000FE000000FE000000FE000000FE000000FE000000FE000000FE000000FE000 000FE000000FE000000FE000000FE000000FE000000FE000000FE000000FE000000FE000 000FE000000FE000000FE000000FE000000FE000000FE000000FE0003FFFFFF87FFFFFFC FFFFFFFEFFFFFFFE7FFFFFFC3FFFFFF81F3977B830>I<0007FC0000003FFFC00000FFFF F00003FFFFF80007FFFFFE000FFFFFFF001FF80FFF803FE001FFC03FC0007FC07F80003F E07F00001FE07F00000FF0FF000007F0FE000007F0FF000007F8FF000003F8FF000003F8 FF000003F87E000003F818000003F800000003F800000003F800000007F800000007F000 00000FF00000000FE00000001FE00000001FC00000003FC00000007F80000000FF800000 01FF00000001FE00000007FC0000000FF80000001FF00000003FE00000007FC0000000FF 80000001FF00000003FE00000007FC0000000FF00000003FE00000007FC0000000FF8000 0001FF00000003FE0001F007FC0003F80FF80003F81FE00003F83FFFFFFFF8FFFFFFFFF8 FFFFFFFFF8FFFFFFFFF87FFFFFFFF83FFFFFFFF025397BB830>I<0003FF0000003FFFE0 0000FFFFF80001FFFFFE0003FFFFFF0007FFFFFF800FFE01FFC00FF0007FC01FE0001FE0 1FE0000FE01FE0000FF01FE00007F01FE00007F00FC00007F007800007F000000007F000 00000FF00000000FE00000000FE00000001FE00000003FC00000007FC0000000FF800000 07FF000007FFFE00000FFFFC00000FFFF800000FFFFC00000FFFFF000007FFFF80000001 FFC00000003FE00000001FF000000007F800000003F800000003FC00000001FC00000001 FE00000000FE00000000FE18000000FE7E000000FEFF000000FEFF000000FEFF000001FE FF000001FCFE000003FCFF000003F87F800007F87FC0001FF03FF0003FF01FFE01FFE00F FFFFFFC007FFFFFF8003FFFFFE0000FFFFFC00003FFFF0000003FF8000273A7CB830>I< 000003FC0000000007FE000000000FFE000000001FFE000000001FFE000000003FFE0000 00007FFE000000007F7E00000000FE7E00000000FE7E00000001FC7E00000003F87E0000 0003F87E00000007F07E00000007F07E0000000FE07E0000001FC07E0000001FC07E0000 003F807E0000003F807E0000007F007E000000FE007E000000FE007E000001FC007E0000 03F8007E000003F8007E000007F0007E000007F0007E00000FE0007E00001FC0007E0000 1FC0007E00003F80007E00003F80007E00007F00007E0000FE00007E0000FFFFFFFFFF00 FFFFFFFFFF80FFFFFFFFFF80FFFFFFFFFF80FFFFFFFFFF807FFFFFFFFF000000007E0000 0000007E00000000007E00000000007E00000000007E00000000007E00000000007E0000 0000007E00000000007E00000000007E000000007FFFFE000000FFFFFF000000FFFFFF00 0000FFFFFF000000FFFFFF0000007FFFFE0029397DB830>I<0FFFFFFF801FFFFFFFC03F FFFFFFC03FFFFFFFC03FFFFFFFC03FFFFFFF803F800000003F800000003F800000003F80 0000003F800000003F800000003F800000003F800000003F800000003F800000003F8000 00003F800000003F800000003F800000003F83FF00003F9FFFC0003FFFFFF0003FFFFFFC 003FFFFFFE003FFFFFFF003FFE03FF803FF0007FC03FE0003FC03F80001FE01F00000FE0 0E00000FF000000007F000000007F000000007F800000003F800000003F800000003F818 000003F87E000003F87E000003F8FF000003F8FF000007F8FF000007F0FE00000FF0FF00 000FE07F00001FE07F80003FC07FC0007FC03FE001FF801FFC0FFF000FFFFFFE0007FFFF FC0003FFFFF80001FFFFE000007FFF8000000FFC000025397BB730>I<00000FF8000000 7FFF000001FFFF800007FFFFE0001FFFFFE0003FFFFFF0007FF80FF000FFC007F801FF80 07F803FE0007F803FC0007F807F80007F80FF00003F00FF00001E01FE00000001FC00000 003FC00000003F800000003F800000007F800000007F000C00007F03FFE0007F0FFFF800 FF3FFFFE00FEFFFFFF00FFFFFFFF80FFFFFFFFC0FFFE007FE0FFF8001FF0FFE0000FF0FF C00007F8FFC00003FCFF800003FCFF000001FCFF000001FEFF000000FEFF000000FEFF00 0000FE7F000000FE7F000000FE7F000000FE7F000000FE3F800000FE3F800001FE3FC000 01FC1FC00001FC1FE00003FC0FE00007F80FF0000FF807F8001FF007FC003FE003FF81FF C001FFFFFF8000FFFFFF00007FFFFE00001FFFF8000007FFE0000001FF8000273A7CB830 >I<7C00000000FFFFFFFFFCFFFFFFFFFEFFFFFFFFFEFFFFFFFFFEFFFFFFFFFEFFFFFFFF FCFE00000FF8FE00000FF0FE00001FE07C00003FC00000007F80000000FF00000000FF00 000001FE00000003FC00000003F800000007F800000007F00000000FF00000000FE00000 001FC00000001FC00000003F800000003F800000007F000000007F00000000FF00000000 FE00000001FE00000001FC00000001FC00000003FC00000003F800000003F800000007F8 00000007F000000007F000000007F000000007F00000000FE00000000FE00000000FE000 00000FE00000000FE00000000FE00000001FE00000001FC00000001FC00000001FC00000 001FC00000001FC00000001FC00000001FC00000001FC00000001FC00000000F80000000 07000000273A7CB830>I<0001FF0000001FFFF000007FFFFC0000FFFFFE0003FFFFFF80 07FFFFFFC00FFF01FFE01FF8003FF01FF0001FF03FC00007F83FC00007F87F800003FC7F 000001FC7F000001FC7F000001FC7F000001FC7F000001FC7F800003FC3F800003F83FC0 0007F81FE0000FF00FF0001FE007FC007FC003FF83FF8001FFFFFF00007FFFFC00001FFF F000003FFFF80000FFFFFE0001FFFFFF0007FE00FFC00FF8003FE01FE0000FF03FC00007 F83F800003F87F800003FC7F000001FCFF000001FEFE000000FEFE000000FEFE000000FE FE000000FEFE000000FEFE000000FEFF000001FE7F000001FC7F800003FC3F800003F83F C00007F81FF0001FF01FF8003FF00FFF01FFE007FFFFFFC003FFFFFF8000FFFFFE00007F FFFC00001FFFF0000001FF0000273A7CB830>I<0001FF0000000FFFE000003FFFF80000 FFFFFC0001FFFFFE0003FFFFFF0007FF01FF800FFC007FC01FF0003FE03FE0001FE03FC0 000FF07F800007F07F800007F07F000003F8FF000003F8FE000003FCFE000001FCFE0000 01FCFE000001FCFE000001FCFE000001FEFE000001FEFE000001FEFF000001FE7F000001 FE7F800003FE7F800007FE3FC00007FE1FE0000FFE1FF0003FFE0FFC00FFFE07FFFFFFFE 03FFFFFFFE01FFFFFEFE00FFFFF9FE003FFFE1FC000FFF81FC00006001FC00000001FC00 000003F800000003F800000007F800000007F00000000FF00F00000FE01F80001FE03FC0 003FC03FC0007FC03FC000FF803FC001FF003FC007FE001FF01FFC001FFFFFF8000FFFFF F00007FFFFE00003FFFF800000FFFE0000003FF00000273A7CB830>I<0F003FC07FE07F E0FFF0FFF0FFF0FFF07FE07FE03FC00F0000000000000000000000000000000000000000 00000000000000000000000F003FC07FE07FE0FFF0FFF0FFF0FFF07FE07FE03FC00F000C 276EA630>I<7FFFFFFFFF007FFFFFFFFF00FFFFFFFFFF80FFFFFFFFFF80FFFFFFFFFF80 7FFFFFFFFF003FFFFFFFFE00000000000000000000000000000000000000000000000000 0000000000000000000000000000000000003FFFFFFFFE007FFFFFFFFF00FFFFFFFFFF80 FFFFFFFFFF80FFFFFFFFFF807FFFFFFFFF007FFFFFFFFF0029157DA530>61 D<00007F0000000000FF8000000000FF8000000001FFC000000001FFC000000001FFC000 000001FFC000000003FFE000000003F7E000000003F7E000000003F7E000000003F7E000 000007F7F000000007E3F000000007E3F000000007E3F00000000FE3F80000000FE3F800 00000FE3F80000000FC1F80000000FC1F80000001FC1FC0000001FC1FC0000001FC1FC00 00001FC1FC0000003F80FE0000003F80FE0000003F80FE0000003F80FE0000003F80FE00 00007F007F0000007F007F0000007F007F0000007F007F000000FF007F800000FE003F80 0000FFFFFF800000FFFFFF800000FFFFFF800001FFFFFFC00001FFFFFFC00001FFFFFFC0 0001FC001FC00003FC001FE00003F8000FE00003F8000FE00003F8000FE00003F8000FE0 0007F8000FF00007F00007F00007F00007F0007FFF007FFF00FFFF80FFFF80FFFF80FFFF 80FFFF80FFFF80FFFF80FFFF807FFF007FFF0029397DB830>65 D<7FFFFFF00000FFFFFF FE0000FFFFFFFF8000FFFFFFFFC000FFFFFFFFE0007FFFFFFFF00003F8001FF80003F800 07F80003F80003FC0003F80001FC0003F80001FC0003F80000FE0003F80000FE0003F800 00FE0003F80000FE0003F80000FE0003F80000FE0003F80001FE0003F80001FC0003F800 01FC0003F80003F80003F80007F80003F8001FF00003F8007FE00003FFFFFFC00003FFFF FF800003FFFFFE000003FFFFFF800003FFFFFFE00003FFFFFFF00003F8000FF80003F800 03FC0003F80001FE0003F80000FE0003F800007F0003F800007F0003F800007F0003F800 003F8003F800003F8003F800003F8003F800003F8003F800003F8003F800003F8003F800 007F8003F800007F0003F800007F0003F80000FF0003F80001FE0003F80003FE0003F800 1FFC007FFFFFFFFC00FFFFFFFFF800FFFFFFFFF000FFFFFFFFC000FFFFFFFF80007FFFFF FC000029387EB730>I<00007F803C0003FFF03E0007FFFC7E001FFFFE7E003FFFFFFE00 7FFFFFFE00FFE07FFE01FF801FFE03FE000FFE07FC0007FE07F80007FE0FF00003FE0FF0 0003FE1FE00001FE1FC00001FE3FC00001FE3F800000FE3F800000FE7F800000FE7F0000 00FE7F0000007C7F00000000FF00000000FE00000000FE00000000FE00000000FE000000 00FE00000000FE00000000FE00000000FE00000000FE00000000FE00000000FE00000000 FE00000000FF000000007F000000007F000000007F0000007C7F800000FE3F800000FE3F 800000FE3FC00000FE1FC00000FE1FE00001FE0FF00001FC0FF00001FC07F80003F807FC 0007F803FE000FF001FF801FF000FFE07FE0007FFFFFC0003FFFFF80001FFFFF000007FF FC000003FFF00000007FC000273A7CB830>I<3FFFFFE000007FFFFFFC0000FFFFFFFE00 00FFFFFFFF80007FFFFFFFC0003FFFFFFFE00003F8007FF00003F8001FF80003F8000FF8 0003F80007FC0003F80003FE0003F80001FE0003F80000FF0003F80000FF0003F800007F 8003F800007F8003F800003F8003F800003FC003F800001FC003F800001FC003F800001F C003F800001FC003F800000FE003F800000FE003F800000FE003F800000FE003F800000F E003F800000FE003F800000FE003F800000FE003F800000FE003F800000FE003F800000F E003F800000FE003F800001FE003F800001FC003F800001FC003F800001FC003F800003F C003F800003F8003F800003F8003F800007F8003F800007F0003F80000FF0003F80001FE 0003F80003FE0003F80007FC0003F8000FFC0003F8001FF80003F8007FF0003FFFFFFFE0 007FFFFFFFC000FFFFFFFF8000FFFFFFFF00007FFFFFFC00003FFFFFE000002B387FB730 >I<7FFFFFFFFF00FFFFFFFFFF80FFFFFFFFFF80FFFFFFFFFF80FFFFFFFFFF807FFFFFFF FF8003F800003F8003F800003F8003F800003F8003F800003F8003F800003F8003F80000 3F8003F800003F8003F800003F8003F800001F0003F80000000003F80000000003F80000 000003F80000000003F8007C000003F800FE000003F800FE000003F800FE000003F800FE 000003FFFFFE000003FFFFFE000003FFFFFE000003FFFFFE000003FFFFFE000003FFFFFE 000003F800FE000003F800FE000003F800FE000003F800FE000003F8007C000003F80000 000003F80000000003F80000000003F80000000003F80000000003F8000007C003F80000 0FE003F800000FE003F800000FE003F800000FE003F800000FE003F800000FE003F80000 0FE003F800000FE003F800000FE07FFFFFFFFFE0FFFFFFFFFFE0FFFFFFFFFFE0FFFFFFFF FFE0FFFFFFFFFFE07FFFFFFFFFC02B387EB730>I<3FFFFFFFFF807FFFFFFFFFC0FFFFFF FFFFC0FFFFFFFFFFC07FFFFFFFFFC03FFFFFFFFFC001FC00001FC001FC00001FC001FC00 001FC001FC00001FC001FC00001FC001FC00001FC001FC00001FC001FC00001FC001FC00 000F8001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC00 3E000001FC007F000001FC007F000001FC007F000001FC007F000001FFFFFF000001FFFF FF000001FFFFFF000001FFFFFF000001FFFFFF000001FFFFFF000001FC007F000001FC00 7F000001FC007F000001FC007F000001FC003E000001FC0000000001FC0000000001FC00 00000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC00 00000001FC0000000001FC0000000001FC0000000001FC0000000001FC000000003FFFF8 0000007FFFFC000000FFFFFC000000FFFFFC0000007FFFFC0000003FFFF80000002A387E B730>I<7FFFFFFF00FFFFFFFF80FFFFFFFF80FFFFFFFF80FFFFFFFF807FFFFFFF000007 F000000007F000000007F000000007F000000007F000000007F000000007F000000007F0 00000007F000000007F000000007F000000007F000000007F000000007F000000007F000 000007F000000007F000000007F000000007F000000007F000000007F000000007F00000 0007F000000007F000000007F000000007F000000007F000000007F000000007F0000000 07F000000007F000000007F000000007F000000007F000000007F000000007F000000007 F000000007F000000007F000000007F000000007F000000007F000000007F000000007F0 00007FFFFFFF00FFFFFFFF80FFFFFFFF80FFFFFFFF80FFFFFFFF807FFFFFFF00213879B7 30>73 D<3FFF000FFF807FFF801FFFC0FFFFC03FFFC0FFFFC03FFFC07FFF801FFFC03FFF 000FFF8003F00003F80003F00007F00003F0000FE00003F0001FE00003F0003FC00003F0 003F800003F0007F000003F000FE000003F001FE000003F003FC000003F003F8000003F0 07F0000003F00FE0000003F01FE0000003F01FC0000003F03F80000003F07F00000003F0 FF00000003F1FF00000003F1FF80000003F3FFC0000003F7FFC0000003FFFFE0000003FF EFE0000003FFC7F0000003FF83F0000003FF03F8000003FF01F8000003FE01FC000003FC 00FE000003F800FE000003F8007F000003F0003F000003F0003F800003F0001F800003F0 001FC00003F0000FC00003F0000FE00003F00007F00003F00007F00003F00003F80003F0 0001F80003F00001FC0003F00000FC003FFF0003FFC07FFF8007FFE0FFFFC00FFFE0FFFF C00FFFE07FFF8007FFE03FFF0003FFC02B387FB730>75 D<3FFC001FFF807FFE003FFFC0 FFFF007FFFE0FFFF007FFFE07FFF803FFFC03FFF801FFF8003FF8001F80003F7C001F800 03F7C001F80003F7C001F80003F3E001F80003F3E001F80003F3E001F80003F3F001F800 03F1F001F80003F1F001F80003F1F801F80003F1F801F80003F0F801F80003F0FC01F800 03F0FC01F80003F07C01F80003F07E01F80003F07E01F80003F03E01F80003F03F01F800 03F03F01F80003F01F01F80003F01F01F80003F01F81F80003F01F81F80003F00F81F800 03F00FC1F80003F00FC1F80003F007C1F80003F007E1F80003F007E1F80003F003E1F800 03F003F1F80003F003F1F80003F001F1F80003F001F1F80003F001F9F80003F000F9F800 03F000F9F80003F000F9F80003F0007DF80003F0007DF80003F0007DF80003F0003FF800 3FFF003FF8007FFF803FF800FFFFC01FF800FFFFC01FF8007FFF800FF8003FFF0007F000 2B387EB730>78 D<003FFFE00001FFFFFC0007FFFFFF000FFFFFFF801FFFFFFFC03FFFFF FFE03FF800FFE03FE0003FE07F80000FF07F80000FF07F000007F07F000007F07F000007 F07F000007F0FF000007F8FE000003F8FE000003F8FE000003F8FE000003F8FE000003F8 FE000003F8FE000003F8FE000003F8FE000003F8FE000003F8FE000003F8FE000003F8FE 000003F8FE000003F8FE000003F8FE000003F8FE000003F8FE000003F8FE000003F8FE00 0003F8FE000003F8FE000003F8FE000003F8FE000003F8FE000003F8FE000003F8FE0000 03F8FF000007F8FF000007F87F000007F07F000007F07F000007F07F80000FF07F80000F F07FC0001FF03FE0003FE03FF800FFE03FFFFFFFE01FFFFFFFC00FFFFFFF8007FFFFFF00 01FFFFFC00003FFFE000253A7BB830>I<7FFFFFF00000FFFFFFFE0000FFFFFFFF8000FF FFFFFFE000FFFFFFFFF0007FFFFFFFF80003F8003FF80003F8000FFC0003F80003FE0003 F80001FE0003F80000FF0003F80000FF0003F800007F0003F800007F8003F800003F8003 F800003F8003F800003F8003F800003F8003F800003F8003F800003F8003F800007F8003 F800007F0003F80000FF0003F80000FF0003F80001FE0003F80003FE0003F8000FFC0003 F8003FF80003FFFFFFF80003FFFFFFF00003FFFFFFE00003FFFFFF800003FFFFFE000003 FFFFF0000003F80000000003F80000000003F80000000003F80000000003F80000000003 F80000000003F80000000003F80000000003F80000000003F80000000003F80000000003 F80000000003F80000000003F80000000003F80000000003F8000000007FFFC0000000FF FFE0000000FFFFE0000000FFFFE0000000FFFFE00000007FFFC000000029387EB730>I< 3FFFFF8000007FFFFFF00000FFFFFFFC0000FFFFFFFF00007FFFFFFF80003FFFFFFFC000 03F801FFE00003F8003FF00003F8001FF00003F8000FF80003F80007F80003F80003F800 03F80003FC0003F80001FC0003F80001FC0003F80001FC0003F80001FC0003F80001FC00 03F80003FC0003F80003F80003F80007F80003F8000FF80003F8001FF00003F8003FF000 03F801FFE00003FFFFFFC00003FFFFFF800003FFFFFF000003FFFFFE000003FFFFFF0000 03FFFFFF800003F800FFC00003F8003FE00003F8001FE00003F8000FE00003F8000FF000 03F80007F00003F80007F00003F80007F00003F80007F00003F80007F00003F80007F000 03F80007F00003F80007F00003F80007F0F803F80007F1FC03F80007F1FC03F80007F1FC 03F80007F1FC03F80007F1FC3FFF8003FBFC7FFFC003FFF8FFFFE001FFF8FFFFE001FFF0 7FFFC000FFE03FFF80007FC0000000001F002E397FB730>82 D<000FF803C0007FFF03E0 01FFFFC7E003FFFFF7E007FFFFFFE00FFFFFFFE01FF80FFFE03FE001FFE03FC000FFE07F 80007FE07F00003FE0FF00003FE0FE00001FE0FE00001FE0FE00000FE0FE00000FE0FE00 000FE0FF00000FE0FF000007C07F000000007F800000007FC00000003FF00000001FFE00 00001FFFF000000FFFFF000007FFFFE00001FFFFF80000FFFFFC00001FFFFF000003FFFF 8000003FFFC0000001FFC00000007FE00000001FE00000000FF00000000FF000000007F8 00000007F87C000003F8FE000003F8FE000003F8FE000003F8FE000003F8FE000003F8FF 000007F8FF000007F0FF800007F0FFC0000FE0FFE0001FE0FFF8003FC0FFFF00FFC0FFFF FFFF80FFFFFFFF00FDFFFFFE00FC7FFFF800F81FFFF0007801FF8000253A7BB830>I<3F FFFFFFFFC07FFFFFFFFFE0FFFFFFFFFFE0FFFFFFFFFFE0FFFFFFFFFFE0FFFFFFFFFFE0FE 003F800FE0FE003F800FE0FE003F800FE0FE003F800FE0FE003F800FE0FE003F800FE0FE 003F800FE0FE003F800FE07C003F8007C000003F80000000003F80000000003F80000000 003F80000000003F80000000003F80000000003F80000000003F80000000003F80000000 003F80000000003F80000000003F80000000003F80000000003F80000000003F80000000 003F80000000003F80000000003F80000000003F80000000003F80000000003F80000000 003F80000000003F80000000003F80000000003F80000000003F80000000003F80000000 003F80000000003F80000000003F80000000003F80000000003F80000000003F80000000 003F80000000003F800000001FFFFF0000003FFFFF8000003FFFFF8000003FFFFF800000 3FFFFF8000001FFFFF00002B387EB730>I<7FFFC007FFFCFFFFE00FFFFEFFFFE00FFFFE FFFFE00FFFFEFFFFE00FFFFE7FFFC007FFFC03F800003F8003F800003F8003F800003F80 03F800003F8003F800003F8003F800003F8003F800003F8003F800003F8003F800003F80 03F800003F8003F800003F8003F800003F8003F800003F8003F800003F8003F800003F80 03F800003F8003F800003F8003F800003F8003F800003F8003F800003F8003F800003F80 03F800003F8003F800003F8003F800003F8003F800003F8003F800003F8003F800003F80 03F800003F8003F800003F8003F800003F8003F800003F8003F800003F8003F800003F80 03F800003F8003F800003F8003FC00007F8001FC00007F0001FC00007F0001FC00007F00 00FE0000FE0000FF0001FE00007F0001FC00007F8003FC00003FE00FF800001FF83FF000 000FFFFFE0000007FFFFC0000003FFFF80000001FFFF000000007FFC000000001FF00000 2F3980B730>I<003FFC00000001FFFF80000003FFFFE0000007FFFFF000000FFFFFF800 001FFFFFFC00001FF00FFE00001FE001FF00001FE000FF00001FE0007F80000FC0003F80 000780003FC0000000001FC0000000001FC0000000001FC0000000001FC0000000FFFFC0 00000FFFFFC000007FFFFFC00001FFFFFFC00007FFFFFFC0000FFFFFFFC0001FFFC01FC0 003FFC001FC0007FE0001FC0007F80001FC000FF00001FC000FE00001FC000FE00001FC0 00FE00001FC000FE00001FC000FF00003FC000FF00003FC0007F80007FC0007FC001FFC0 003FF80FFFFFC01FFFFFFFFFE01FFFFFFFFFE007FFFFF7FFE003FFFFC3FFE000FFFF00FF C0003FF00000002B2A7CA830>97 D<3FFC000000007FFE00000000FFFE00000000FFFE00 0000007FFE000000003FFE0000000000FE0000000000FE0000000000FE0000000000FE00 00000000FE0000000000FE0000000000FE0000000000FE0000000000FE0000000000FE00 00000000FE03FE000000FE1FFF800000FE7FFFE00000FEFFFFF00000FFFFFFFC0000FFFF FFFE0000FFFE07FE0000FFF001FF0000FFE000FF8000FFC0007F8000FF80003FC000FF00 001FC000FE00001FE000FE00000FE000FE00000FE000FE00000FF000FE000007F000FE00 0007F000FE000007F000FE000007F000FE000007F000FE000007F000FE000007F000FE00 0007F000FE00000FF000FE00000FF000FE00000FE000FF00000FE000FF00001FE000FF80 003FC000FF80003FC000FFC0007F8000FFE000FF8000FFF003FF0000FFFC0FFE0000FFFF FFFC0000FFFFFFF80000FEFFFFF000007E7FFFC000003C1FFF0000000003FC00002C3980 B730>I<0000FFE0000007FFFC00001FFFFE00007FFFFF0000FFFFFF8001FFFFFFC003FF 807FC007FC003FC00FF8003FC01FF0003FC01FE0001F803FC0000F003F800000007F8000 00007F000000007F00000000FF00000000FE00000000FE00000000FE00000000FE000000 00FE00000000FE00000000FE00000000FE00000000FF000000007F000000007F00000000 7F800000003F800007C03FC0000FE01FE0000FE01FF0001FE00FF8001FC007FE003FC007 FFC0FF8003FFFFFF8000FFFFFF00007FFFFE00001FFFF8000007FFF0000001FF8000232A 7AA830>I<000001FFE000000003FFF000000007FFF000000007FFF000000003FFF00000 0001FFF00000000007F00000000007F00000000007F00000000007F00000000007F00000 000007F00000000007F00000000007F00000000007F00000000007F0000003FE07F00000 1FFF87F000003FFFE7F00000FFFFFFF00001FFFFFFF00003FFFFFFF00007FF03FFF0000F FC00FFF0001FF0003FF0001FE0001FF0003FC0001FF0003FC0000FF0007F800007F0007F 000007F0007F000007F000FF000007F000FF000007F000FE000007F000FE000007F000FE 000007F000FE000007F000FE000007F000FE000007F000FE000007F000FE000007F000FF 000007F0007F00000FF0007F00000FF0007F80000FF0003F80001FF0003FC0003FF0001F E0003FF0001FF0007FF0000FF801FFF00007FE07FFFFC003FFFFFFFFE001FFFFFFFFF000 FFFFF7FFF0007FFFC7FFE0001FFF03FFC00007FC0000002C397DB730>I<0001FF000000 07FFE000001FFFF800007FFFFC0000FFFFFE0001FFFFFF0003FF81FF8007FC007FC00FF8 003FC01FE0001FE01FE0000FE03FC0000FF03F800007F07F800007F07F000007F07F0000 03F8FF000003F8FE000003F8FFFFFFFFF8FFFFFFFFF8FFFFFFFFF8FFFFFFFFF8FFFFFFFF F8FFFFFFFFF0FE00000000FF000000007F000000007F000000007F800000003F800001F0 3FC00003F81FE00003F80FF00003F80FF80007F807FE001FF003FFC07FE001FFFFFFE000 FFFFFFC0003FFFFF80001FFFFE000007FFF8000000FFC000252A7CA830>I<000000FF80 000007FFE000001FFFF000003FFFF000007FFFF80000FFFFF80001FF87F80003FE07F800 03FC03F00007F800C00007F000000007F000000007F000000007F000000007F000000007 F000000007F000000007F000003FFFFFFFC07FFFFFFFE0FFFFFFFFE0FFFFFFFFE0FFFFFF FFE07FFFFFFFC00007F000000007F000000007F000000007F000000007F000000007F000 000007F000000007F000000007F000000007F000000007F000000007F000000007F00000 0007F000000007F000000007F000000007F000000007F000000007F000000007F0000000 07F000000007F000000007F000000007F000000007F000000007F000000007F000003FFF FFFE007FFFFFFF00FFFFFFFF80FFFFFFFF807FFFFFFF003FFFFFFE0025397DB830>I<00 03FC00FF00001FFF87FFC0003FFFDFFFC000FFFFFFFFE001FFFFFFFFE003FFFFFFFFE007 FE07FF8FE007F801FE07C00FF000FF00000FF000FF00000FE0007F00001FE0007F80001F C0003F80001FC0003F80001FC0003F80001FC0003F80001FC0003F80001FE0007F80000F E0007F00000FF000FF00000FF000FF000007F801FE000007FE07FE000007FFFFFC000007 FFFFF800000FFFFFF000000FFFFFC000000FDFFF8000000FC3FC0000000FC0000000000F C0000000000FC0000000000FE0000000000FF00000000007FFFFF0000007FFFFFF000003 FFFFFFC00007FFFFFFF0000FFFFFFFF8001FFFFFFFFC003FE0001FFE003F800001FE007F 0000007F007E0000003F00FE0000003F80FC0000001F80FC0000001F80FC0000001F80FC 0000001F80FC0000001F80FE0000003F807F0000007F007F800000FF003FC00001FE003F F00007FE001FFF007FFC000FFFFFFFF80007FFFFFFF00001FFFFFFC000007FFFFF000000 1FFFFC00000001FFC000002B3E7DA730>I<3FFC000000007FFE00000000FFFE00000000 FFFE000000007FFE000000003FFE0000000000FE0000000000FE0000000000FE00000000 00FE0000000000FE0000000000FE0000000000FE0000000000FE0000000000FE00000000 00FE0000000000FE01FE000000FE0FFF800000FE3FFFE00000FEFFFFF00000FFFFFFF800 00FFFFFFF80000FFFE07FC0000FFF803FC0000FFE001FE0000FFC001FE0000FF8000FE00 00FF8000FE0000FF0000FE0000FF0000FE0000FE0000FE0000FE0000FE0000FE0000FE00 00FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE00 00FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE00 00FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE003FFFF81FFFF8 7FFFFC3FFFFCFFFFFE3FFFFEFFFFFE3FFFFE7FFFFC3FFFFC3FFFF81FFFF82F3880B730> I<0000E000000003F800000003F800000007FC00000007FC00000007FC00000003F80000 0003F800000000E000000000000000000000000000000000000000000000000000000000 000000000000000000000000000000000000001FFFF800003FFFFC00007FFFFC00007FFF FC00003FFFFC00001FFFFC00000001FC00000001FC00000001FC00000001FC00000001FC 00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC00 000001FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC0000 0001FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC000000 01FC00003FFFFFFFC07FFFFFFFE0FFFFFFFFE0FFFFFFFFE07FFFFFFFE03FFFFFFFC02339 7AB830>I<000001C0000007F0000007F000000FF800000FF800000FF8000007F0000007 F0000001C000000000000000000000000000000000000000000000000000000000000000 000000000000FFFFF001FFFFF801FFFFF801FFFFF801FFFFF800FFFFF8000003F8000003 F8000003F8000003F8000003F8000003F8000003F8000003F8000003F8000003F8000003 F8000003F8000003F8000003F8000003F8000003F8000003F8000003F8000003F8000003 F8000003F8000003F8000003F8000003F8000003F8000003F8000003F8000003F8000003 F8000003F8000003F8000003F8000003F8000003F8000003F8000003F8000003F8000003 F8000003F8000003F8000003F8000007F0000007F03C0007F07E000FE0FF001FE0FF003F C0FF007FC0FFFFFF807FFFFF007FFFFE003FFFFC000FFFF00003FFC0001D4E7CB830>I< 7FF800000000FFFC00000000FFFC00000000FFFC00000000FFFC000000007FFC00000000 00FC0000000000FC0000000000FC0000000000FC0000000000FC0000000000FC00000000 00FC0000000000FC0000000000FC0000000000FC0000000000FC0000000000FC03FFFF80 00FC07FFFFC000FC07FFFFE000FC07FFFFE000FC07FFFFC000FC03FFFF8000FC001FE000 00FC003FC00000FC007F800000FC00FF000000FC01FE000000FC03FC000000FC0FF80000 00FC1FF0000000FC3FE0000000FC7FC0000000FCFF80000000FDFFC0000000FFFFE00000 00FFFFF0000000FFF7F0000000FFE3F8000000FFC1FC000000FF81FE000000FF00FF0000 00FE007F000000FC003F800000FC001FC00000FC001FE00000FC000FF00000FC0007F000 00FC0003F80000FC0001FC007FFFF81FFFE0FFFFFC3FFFF0FFFFFC3FFFF8FFFFFC3FFFF8 FFFFFC3FFFF07FFFF81FFFE02D387FB730>I<7FFFF80000FFFFFC0000FFFFFC0000FFFF FC0000FFFFFC00007FFFFC00000001FC00000001FC00000001FC00000001FC00000001FC 00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC00 000001FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC0000 0001FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC000000 01FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001 FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC 00000001FC00000001FC00000001FC00007FFFFFFFF0FFFFFFFFF8FFFFFFFFF8FFFFFFFF F8FFFFFFFFF87FFFFFFFF025387BB730>I<0000FC007E00007FC3FF01FF8000FFEFFF87 FFC000FFFFFFCFFFE000FFFFFFDFFFE000FFFFFFFFFFF0007FFF0FFF87F00007FE07FF03 F80007FC07FE03F80007F803FC01F80007F803FC01F80007F003F801F80007F003F801F8 0007F003F801F80007E003F001F80007E003F001F80007E003F001F80007E003F001F800 07E003F001F80007E003F001F80007E003F001F80007E003F001F80007E003F001F80007 E003F001F80007E003F001F80007E003F001F80007E003F001F80007E003F001F80007E0 03F001F80007E003F001F80007E003F001F80007E003F001F80007E003F001F80007E003 F001F8007FFE0FFF07FF80FFFF1FFF8FFFC0FFFF1FFF8FFFC0FFFF1FFF8FFFC0FFFF1FFF 8FFFC07FFE0FFF07FF80322881A730>I<000001FE00003FFC0FFF80007FFE3FFFE000FF FEFFFFF000FFFFFFFFF8007FFFFFFFF8003FFFFE07FC0000FFF803FC0000FFE001FE0000 FFC001FE0000FF8000FE0000FF8000FE0000FF0000FE0000FF0000FE0000FE0000FE0000 FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000 FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000 FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000 FE0000FE003FFFF81FFFF87FFFFC3FFFFCFFFFFE3FFFFEFFFFFE3FFFFE7FFFFC3FFFFC3F FFF81FFFF82F2880A730>I<0001FF0000000FFFE000003FFFF800007FFFFC0000FFFFFE 0003FFFFFF8003FF01FF8007FC007FC00FF8003FE01FE0000FF01FE0000FF03FC00007F8 3F800003F87F800003FC7F000001FC7F000001FC7F000001FCFE000000FEFE000000FEFE 000000FEFE000000FEFE000000FEFE000000FEFE000000FEFE000000FEFF000001FE7F00 0001FC7F000001FC7F800003FC3F800003F83FC00007F83FE0000FF81FF0001FF00FF800 3FE00FFC007FE007FF01FFC003FFFFFF8001FFFFFF00007FFFFC00003FFFF800000FFFE0 000001FF0000272A7CA830>I<000003FE00003FFC1FFF80007FFE7FFFE000FFFEFFFFF0 00FFFFFFFFFC007FFFFFFFFE003FFFFE07FE0000FFF001FF0000FFE000FF8000FFC0007F 8000FF80003FC000FF00001FC000FE00001FE000FE00000FE000FE00000FE000FE00000F F000FE000007F000FE000007F000FE000007F000FE000007F000FE000007F000FE000007 F000FE000007F000FE000007F000FE00000FF000FE00000FF000FE00000FE000FF00000F E000FF00001FE000FF80003FC000FF80003FC000FFC0007F8000FFE000FF8000FFF003FF 0000FFFC0FFE0000FFFFFFFC0000FFFFFFF80000FEFFFFF00000FE7FFFC00000FE1FFF00 0000FE03FC000000FE0000000000FE0000000000FE0000000000FE0000000000FE000000 0000FE0000000000FE0000000000FE0000000000FE0000000000FE0000000000FE000000 0000FE0000000000FE000000003FFFF80000007FFFFC000000FFFFFE000000FFFFFE0000 007FFFFC0000003FFFF80000002C3C80A730>I<00000007F8003FFF803FFF007FFFC0FF FF80FFFFC3FFFF80FFFFCFFFFFC07FFFDFFFFFC03FFFFFFC3FC0001FFFE03FC0001FFF80 1F80001FFF000F00001FFE000000001FFC000000001FF8000000001FF0000000001FF000 0000001FE0000000001FE0000000001FE0000000001FE0000000001FC0000000001FC000 0000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC000 0000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC000 0000001FC00000003FFFFFFC00007FFFFFFE0000FFFFFFFF0000FFFFFFFF00007FFFFFFE 00003FFFFFFC00002A287EA730>114 D<001FFC1E0001FFFF9F0007FFFFFF000FFFFFFF 001FFFFFFF003FFFFFFF007FF007FF007F8001FF00FE0000FF00FC00007F00FC00007F00 FC00007F00FC00007F00FE00003E007F000000007FE00000003FFF0000001FFFFC00000F FFFF800007FFFFE00001FFFFF800007FFFFC000003FFFE0000000FFF00000000FF807C00 007F80FE00001FC0FE00001FC0FE00000FC0FF00000FC0FF00000FC0FF80000FC0FF8000 1FC0FFC0003F80FFE0007F80FFFC03FF00FFFFFFFF00FFFFFFFE00FFFFFFFC00FCFFFFF0 00F83FFFC000780FFE0000222A79A830>I<0007800000000FC00000001FC00000001FC0 0000001FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC000 003FFFFFFFE07FFFFFFFF0FFFFFFFFF0FFFFFFFFF0FFFFFFFFF07FFFFFFFE0001FC00000 001FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC0000000 1FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001FC00000001F C00000001FC00000001FC00000001FC000F8001FC001FC001FC001FC001FC001FC001FC0 01FC001FC001FC001FE003FC000FE007F8000FF007F8000FFC1FF00007FFFFE00003FFFF C00003FFFF800001FFFF0000007FFC0000001FF00026337EB130>I<3FFC003FFC007FFE 007FFE00FFFE00FFFE00FFFE00FFFE007FFE007FFE003FFE003FFE0000FE0000FE0000FE 0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE 0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE 0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE0000FE 0000FE0000FE0000FE0000FE0000FE0000FE0001FE0000FE0001FE0000FE0003FE0000FE 0007FE0000FF000FFE00007FC07FFFF8007FFFFFFFFC003FFFFFFFFE001FFFFFFFFE000F FFFEFFFC0007FFF87FF80000FFC000002F2880A630>I<3FFFC07FFF807FFFE0FFFFC0FF FFE0FFFFE0FFFFE0FFFFE07FFFE0FFFFC03FFFC07FFF8001F80003F00001F80003F00001 FC0007F00000FC0007E00000FC0007E00000FE000FE000007E000FC000007E000FC00000 7F001FC000003F001F8000003F001F8000003F803F8000001F803F0000001F803F000000 1FC07F0000000FC07E0000000FC07E0000000FE0FE00000007E0FC00000007E0FC000000 07F1FC00000003F1F800000003F1F800000003F1F800000001FBF000000001FBF0000000 01FBF000000001FFF000000000FFE000000000FFE000000000FFE0000000007FC0000000 003F8000002B277EA630>I<3FFFC01FFFE07FFFE03FFFF0FFFFE03FFFF8FFFFE03FFFF8 7FFFE03FFFF03FFFC01FFFE007E000003F0007E000003F0007F000007F0003F000007E00 03F000007E0003F000007E0003F000007E0003F000007E0003F80000FE0001F80000FC00 01F80F80FC0001F81FC0FC0001F83FE0FC0001F83FE0FC0001F83FE0FC0000FC7FF1F800 00FC7FF1F80000FC7DF1F80000FC7DF1F80000FCFDF9F800007CFDF9F000007CF8F9F000 007CF8F9F000007CF8F9F000007EF8FBF000007EF8FBF000003FF07FE000003FF07FE000 003FF07FE000003FE03FE000003FE03FE000001FE03FC000000F800F80002D277FA630> I<3FFF81FFFC007FFFC3FFFE00FFFFC3FFFF00FFFFC3FFFF007FFFC3FFFE003FFF81FFFC 0000FE007F0000007F007F0000007F80FE0000003F81FC0000001FC3F80000000FE3F800 00000FE7F000000007FFE000000003FFC000000001FFC000000000FF8000000000FF0000 0000007E00000000007F0000000000FF0000000001FF8000000001FFC000000003F7E000 000007E7E00000000FE3F00000000FC1F80000001F81FC0000003F80FE0000007F007E00 00007E007F000000FE003F800001FC001FC0007FFF80FFFF00FFFFC1FFFF80FFFFE3FFFF 80FFFFE3FFFF80FFFFC1FFFF807FFF80FFFF0029277DA630>I<3FFFC07FFF807FFFE0FF FFC0FFFFE0FFFFE0FFFFE0FFFFE07FFFE0FFFFC03FFFC07FFF8001FC0003F00001FC0003 F00000FC0007F00000FE0007E000007E0007E000007E000FE000007F000FC000003F000F C000003F001FC000001F801F8000001F801F8000001FC01F8000000FC03F0000000FC03F 0000000FE03F00000007E07E00000007E07E00000003F07E00000003F07C00000003F0FC 00000001F8FC00000001F8F800000001F8F800000000F9F800000000FDF0000000007DF0 000000007FF0000000007FF0000000003FE0000000003FE0000000003FE0000000001FC0 000000001FC0000000001FC0000000001F80000000001F80000000003F80000000003F00 000000003F00000000007F00000000007E00000000007E0000000F00FE0000001F80FC00 00003FC1FC0000003FC3F80000003F87F80000003F8FF00000003FFFE00000001FFFC000 00001FFF800000000FFF0000000007FE0000000001F0000000002B3C7EA630>I E /Fg 24 118 df<7FFFFFFFE0FFFFFFFFF0FFFFFFFFF8FFFFFFFFF8FFFFFFFFF8FFFFFF FFF07FFFFFFFE02507769E30>45 D<0F803FC07FE07FF0FFF0FFF0FFF0FFF0FFE07FE03F C01F000C0C6D8B30>I<000007F80000001FFE0000007FFF000001FFFFC00003FFFFE000 07FFFFF0000FF81FF0001FE00FF8003FC007F8007F8003FC00FF0001FC00FE0001FE01FC 0000FE03F80000FE03F80000FF07F000007F07F000007F0FE000007F0FE000007F1FC000 007F1FC000007F1F8000007F3F8000007F3F8000007F3F8000007F7F0000007F7F000000 7F7F0000007F7F0000007F7F0000007FFE000000FEFE000000FEFE000000FEFE000000FE FE000001FCFE000001FCFE000001FCFE000003F8FE000003F8FE000007F8FF000007F0FF 00000FF07F00000FE07F00001FE07F80001FC07F80003F803F80007F803FC000FF003FC0 01FE001FE003FE001FF007FC000FFC1FF80007FFFFF00003FFFFE00001FFFF800000FFFF 0000007FFC0000000FE00000283A78B830>48 D<000003C0000007E0000007E000000FE0 00001FE000001FE000003FE000007FC00000FFC00003FFC0000FFFC000FFFFC001FFFFC0 03FFFF8003FFBF8003FE3F8001F83F8000003F8000007F8000007F0000007F0000007F00 00007F0000007F000000FF000000FE000000FE000000FE000000FE000000FE000001FE00 0001FC000001FC000001FC000001FC000001FC000003FC000003F8000003F8000003F800 0003F8000003F8000007F8000007F0000007F0000007F0000007F0000007F000000FF000 000FE000000FE0007FFFFFF8FFFFFFFCFFFFFFFCFFFFFFFCFFFFFFFC7FFFFFF81E3976B8 30>I<000007FC000000003FFF80000000FFFFE0000003FFFFF8000007FFFFFC00001FFF FFFE00003FF80FFF00007FE001FF80007F8000FF8000FF00003FC000FE00003FC001FE00 001FC001FC00001FE003FC00001FE003FC00000FE003FC00000FE003FC00000FE003F800 001FE001F800001FE000E000001FC0000000001FC0000000003FC0000000003F80000000 007F80000000007F0000000000FF0000000001FE0000000003FE0000000007FC00000000 07F8000000001FF0000000003FE0000000007FC000000000FF8000000001FF0000000003 FE000000000FFC000000001FF8000000003FE000000000FFC000000001FF8000000003FF 0000000007FC000000001FF8000000003FF0000000007FC000000000FF8000000003FF00 00F00007FC0001F8000FF80003F8003FF00003F8007FFFFFFFF800FFFFFFFFF800FFFFFF FFF800FFFFFFFFF800FFFFFFFFF0007FFFFFFFE0002B397AB830>I<0001FFC00000000F FFF80000003FFFFE0000007FFFFF000000FFFFFF800001FFFFFFC00001FF007FE00001FE 001FE00003FC000FF00001FC0007F00001F80007F00000700007F00000000007F8000000 0007F80000000007F00000000007F00000003FFFF0000003FFFFF000001FFFFFF00000FF FFFFF00003FFFFFFF00007FFFFFFE0000FFFE00FE0001FFE000FE0003FF0000FE0007FC0 001FE0007F80001FE000FF00001FC000FE00001FC000FE00001FC000FE00003FC000FE00 003FC000FE00007FC000FF0000FF80007F8003FF80007FE03FFFFF003FFFFFFFFF803FFF FFFFFFC01FFFFFDFFFC00FFFFF87FF8003FFFC01FF00007FE00000002A2A7AA830>97 D<3FF80000007FFC000000FFFE000000FFFE0000007FFE0000003FFE00000001FC000000 01FC00000001FC00000001FC00000001FC00000003FC00000003F800000003F800000003 F800000003F800000003F81FF00007F8FFFC0007F3FFFF0007F7FFFF8007FFFFFFC007FF FFFFE007FFF03FF00FFF800FF00FFE0007F80FFC0007F80FF80003FC0FF00001FC0FE000 01FC1FE00001FC1FC00001FC1FC00001FE1FC00000FE1FC00000FE1FC00001FE3FC00001 FC3F800001FC3F800001FC3F800001FC3F800003FC3F800003F87F800003F87F800007F8 7F80000FF07F80000FF07F80001FE07FC0003FC0FFC0007FC0FFE000FF80FFF003FF00FF FC1FFE00FFFFFFFC00FFFFFFF800FEFFFFF000FC7FFFC000781FFF00000007F800002739 77B730>I<00001FFC000000FFFF800003FFFFC0000FFFFFE0001FFFFFF0007FFFFFF000 FFF00FF801FF8007F803FF000FF007FC0007F007F80007E00FF00001C01FE00000001FE0 0000003FC00000003F800000007F800000007F000000007F000000007F00000000FF0000 0000FE00000000FE00000000FE00000000FE00000000FE00000000FE00000000FE000000 00FF000000007F00000F807F80001F807F80003FC03FC0003F803FE0007F801FF800FF00 0FFE03FF000FFFFFFE0007FFFFFC0001FFFFF80000FFFFE000003FFF80000007FC000025 2A77A830>I<00000007FF000000000FFF800000001FFFC00000001FFFC00000000FFFC0 00000007FFC0000000003F80000000003F80000000003F80000000003F80000000007F80 000000007F80000000007F00000000007F00000000007F00000000007F0000007FC0FF00 0003FFF0FF00000FFFFCFE00001FFFFEFE00007FFFFFFE0000FFFFFFFE0001FFE07FFE00 03FF001FFE0007FE000FFC0007FC0007FC000FF80003FC001FF00003FC001FE00003FC00 3FC00003FC003F800003F8007F800003F8007F800003F8007F000003F8007F000007F800 FF000007F800FE000007F000FE000007F000FE000007F000FE000007F000FE00000FF000 FE00000FF000FE00000FE000FE00001FE000FF00003FE0007F00003FE0007F00007FE000 7F8000FFE0003FC001FFC0003FE007FFC0001FF81FFFFF000FFFFFFFFF800FFFFFFFFF80 07FFFFBFFF8001FFFF1FFF8000FFFC0FFF00001FE00000002A397AB730>I<00001FE000 0000FFFC000003FFFF00000FFFFF80003FFFFFC0007FFFFFE000FFF03FF001FF800FF003 FE0007F807FC0003F807F80003F80FF00003F81FE00001FC1FC00001FC3FC00001FC3F80 0001FC7F800001FC7F000001FC7FFFFFFFFC7FFFFFFFFCFFFFFFFFF8FFFFFFFFF8FFFFFF FFF8FFFFFFFFF0FE00000000FE00000000FE00000000FF000000007F000000007F000003 C07F800007E03F80000FF03FC0000FF01FE0001FE01FF0007FC00FFE03FFC007FFFFFF80 03FFFFFF0001FFFFFC00007FFFF800001FFFE0000003FF0000262A79A830>I<00000000 FF8000000007FFE00000001FFFF00000007FFFF0000000FFFFF8000001FFFFF8000003FF 07F0000007FC07F0000007F807E000000FF001C000000FE0000000000FE0000000001FE0 000000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000001FFFFFF FE0003FFFFFFFF0007FFFFFFFF0007FFFFFFFF0007FFFFFFFF0003FFFFFFFE0000007F80 000000007F00000000007F00000000007F00000000007F00000000007F0000000000FF00 00000000FE0000000000FE0000000000FE0000000000FE0000000000FE0000000001FE00 00000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000003FC00 00000003F80000000003F80000000003F80000000003F80000000003F80000000007F800 00000007F00000000007F00000007FFFFFFE0000FFFFFFFF0000FFFFFFFF0000FFFFFFFF 0000FFFFFFFF00007FFFFFFE00002D397CB830>I<000007F801FE0000003FFF0FFF8000 007FFFBFFF800001FFFFFFFFC00003FFFFFFFFC00007FFFFFFFFC0000FFC0FFF1F80001F F007F81F00003FE003FC0000003FC001FC0000007F8001FC0000007F0001FC0000007F00 01FC000000FF0001FC000000FE0001FC000000FE0001FC000000FE0001FC000000FE0003 FC000000FE0007F8000000FF0007F80000007F000FF00000007F803FE00000003FE0FFE0 0000007FFFFFC0000000FFFFFF80000000FFFFFF00000001FFFFFC00000001F9FFF00000 0001F87F8000000003F8000000000003F0000000000003F0000000000003F80000000000 01F8000000000001FFFFFC00000001FFFFFF80000001FFFFFFE0000003FFFFFFF8000007 FFFFFFFC00000FFFFFFFFE00001FF00007FF00003FC00000FF00003F8000007F00007F00 00003F80007E0000001F8000FE0000001F8000FC0000001F8000FC0000001F8000FC0000 003F8000FC0000003F0000FC0000007F0000FC000000FF0000FE000001FE00007F800007 FC00007FC0001FFC00003FFC01FFF800001FFFFFFFE000000FFFFFFFC0000007FFFFFF00 000001FFFFFC000000007FFFF0000000000FFF00000000323E7EA730>I<003FF8000000 007FFC00000000FFFE00000000FFFE000000007FFE000000003FFE0000000001FC000000 0001FC0000000001FC0000000001FC0000000001FC0000000003FC0000000003F8000000 0003F80000000003F80000000003F80000000003F80FF0000007F87FFE000007F1FFFF00 0007F7FFFF800007FFFFFF800007FFFFFFC00007FFF03FC0000FFF801FE0000FFF001FE0 000FFE000FE0000FF8000FE0000FF8000FE0000FF0001FE0001FE0001FC0001FE0001FC0 001FC0001FC0001FC0001FC0001FC0001FC0001FC0003FC0003FC0003FC0003F80003F80 003F80003F80003F80003F80003F80003F80003F80007F80007F80007F80007F00007F00 007F00007F00007F00007F00007F00007F00007F0000FF0000FF0000FF0000FE0000FE00 00FE0000FE007FFFF81FFFF8FFFFFC3FFFFCFFFFFC7FFFFCFFFFFC7FFFFCFFFFFC3FFFFC 7FFFF81FFFF82E387FB730>I<000000E000000003F800000007F800000007FC00000007 FC00000007FC00000007F800000003F000000001E0000000000000000000000000000000 0000000000000000000000000000000000000000000000000000000000000000FFFFC000 01FFFFE00003FFFFE00003FFFFE00001FFFFE00000FFFFE00000001FE00000001FC00000 001FC00000001FC00000001FC00000001FC00000003FC00000003F800000003F80000000 3F800000003F800000003F800000007F800000007F000000007F000000007F000000007F 000000007F00000000FF00000000FE00000000FE00000000FE00000000FE00000000FE00 000001FE00000001FC00000001FC00007FFFFFFF80FFFFFFFFC0FFFFFFFFE0FFFFFFFFE0 FFFFFFFFC07FFFFFFF80233979B830>I<003FF800000000007FFC00000000007FFE0000 0000007FFE00000000007FFE00000000003FFE000000000000FC000000000000FC000000 000000FC000000000000FC000000000000FC000000000001FC000000000001F800000000 0001F8000000000001F8000000000001F8000000000001F8000000000003F80FFFFE0000 03F01FFFFF000003F01FFFFF800003F01FFFFF800003F01FFFFF000003F00FFFFE000007 F000FF80000007E001FF00000007E003FC00000007E007F800000007E01FF000000007E0 3FE00000000FE07F800000000FC0FF000000000FC3FE000000000FC7FC000000000FCFF8 000000000FDFFC000000001FFFFC000000001FFFFE000000001FFEFF000000001FFC7F00 0000001FF87F800000001FE03F800000003FC01FC00000003F801FE00000003F000FE000 00003F0007F00000003F0007F80000003F0003F80000007F0003FC0000007E0001FC0000 007E0000FE00003FFFF80FFFF0007FFFFC1FFFF800FFFFFE3FFFF800FFFFFE3FFFF8007F FFFC1FFFF8003FFFF80FFFF00031387FB730>107 D<003FFFF800007FFFFC00007FFFFE 00007FFFFE00007FFFFE00003FFFFE00000001FC00000001FC00000001FC00000001FC00 000001FC00000003FC00000003F800000003F800000003F800000003F800000003F80000 0007F800000007F000000007F000000007F000000007F000000007F00000000FF0000000 0FE00000000FE00000000FE00000000FE00000000FE00000001FE00000001FC00000001F C00000001FC00000001FC00000001FC00000003FC00000003F800000003F800000003F80 0000003F800000003F800000007F800000007F000000007F000000007F000000007F0000 00007F00000000FF00000000FE00000000FE00003FFFFFFFF07FFFFFFFF8FFFFFFFFFCFF FFFFFFFC7FFFFFFFF83FFFFFFFF026387BB730>I<000003F001F80001FF0FFC07FE0003 FFBFFE1FFF0003FFFFFF7FFF8003FFFFFFFFFF8003FFFFFFFFFFC001FFFC3FFE1FC0003F F81FFC0FC0003FE01FF00FC0003FC01FE00FC0003FC01FE00FC0003F801FC00FC0003F00 3F801FC0007F003F801F80007F003F801F80007E003F001F80007E003F001F80007E003F 001F80007E003F001F8000FE007F003F8000FC007E003F0000FC007E003F0000FC007E00 3F0000FC007E003F0000FC007E003F0001FC00FE007F0001F800FC007E0001F800FC007E 0001F800FC007E0001F800FC007E0001F800FC007E0003F801FC00FE0003F001F800FC00 03F001F800FC003FFE07FF03FF807FFF0FFF87FFC0FFFF9FFFCFFFE0FFFF9FFFCFFFE07F FF0FFF87FFC03FFE07FF03FF80332881A730>I<0000000FF00001FFE07FFE0003FFF1FF FF0007FFF7FFFF8007FFFFFFFF8003FFFFFFFFC001FFFFF03FC0000FFF801FE0000FFF00 1FE0000FFE000FE0000FF8000FE0000FF8000FE0000FF0001FE0001FE0001FC0001FE000 1FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0003FC0003FC0003FC0003F8000 3F80003F80003F80003F80003F80003F80003F80003F80007F80007F80007F80007F0000 7F00007F00007F00007F00007F00007F00007F00007F0000FF0000FF0000FF0000FE0000 FE0000FE0000FE007FFFF81FFFF8FFFFFC3FFFFCFFFFFC7FFFFCFFFFFC7FFFFCFFFFFC3F FFFC7FFFF81FFFF82E287FA730>I<00001FE0000000FFFC000003FFFF00000FFFFF8000 1FFFFFE0007FFFFFE000FFE07FF001FF800FF803FE0007F803FC0003FC07F80001FC0FF0 0001FE0FE00000FE1FC00000FE3FC00000FE3F800000FE3F8000007F7F0000007F7F0000 007F7F0000007FFE000000FEFE000000FEFE000000FEFE000000FEFE000001FEFE000001 FCFE000001FCFF000003F8FF000007F8FF000007F07F80000FF07F80001FE07FC0003FC0 3FE0007FC01FF001FF801FFC07FF000FFFFFFE0007FFFFF80003FFFFF00001FFFFC00000 7FFF0000000FF80000282A79A830>I<00000003FE0000003FFC1FFF8000007FFE7FFFE0 0000FFFEFFFFF00000FFFFFFFFF800007FFFFFFFFC00003FFFFE07FE000001FFF001FE00 0001FFC000FF000001FF8000FF000001FF00007F800001FE00003F800001FC00003F8000 03FC00003F800003F800003F800003F800003FC00003F800001FC00003F800001FC00003 F800003FC00007F800003F800007F000003F800007F000003F800007F000003F800007F0 00007F800007F000007F00000FF000007F00000FF00000FF00000FF00001FE00000FF000 01FE00000FF00003FC00000FF80007F800001FF8000FF800001FFC001FF000001FFE007F E000001FFF83FFC000001FFFFFFF8000001FFFFFFF0000003FDFFFFE0000003F8FFFF800 00003F83FFE00000003F80FF000000003F8000000000007F8000000000007F8000000000 007F0000000000007F0000000000007F0000000000007F000000000000FF000000000000 FF000000000000FE000000000000FE000000000000FE000000000000FE00000000007FFF F000000000FFFFF800000000FFFFFC00000000FFFFFC00000000FFFFF8000000007FFFF0 00000000323C82A730>I<000000003FE001FFFC01FFF803FFFE0FFFFC07FFFE1FFFFC07 FFFE7FFFFE03FFFEFFFFFE01FFFFFFE1FE0001FFFF01FC0001FFFC01FC0001FFF0007000 01FFE000000001FFC000000001FF8000000003FF0000000003FE0000000003FE00000000 03FC0000000003FC0000000003F80000000007F80000000007F00000000007F000000000 07F00000000007F00000000007F0000000000FF0000000000FE0000000000FE000000000 0FE0000000000FE0000000000FE0000000001FE0000000001FC0000000001FC00000007F FFFFFC0000FFFFFFFE0000FFFFFFFE0000FFFFFFFE0000FFFFFFFE00007FFFFFFC00002F 287DA730>114 D<00007FF8380003FFFE7C001FFFFFFC003FFFFFFC007FFFFFFC00FFFF FFFC01FFC01FFC03FC0007FC03F80003FC07F00003F807E00003F807E00003F807E00003 F807E00001F007F000000003FE00000003FFF0000001FFFF800000FFFFF000007FFFFC00 001FFFFF000007FFFF8000007FFFC0000001FFE00000001FE01F00000FF01F800007F03F 800003F03F800003F03FC00003F03FC00003F03FC00007F07FE0000FE07FE0001FE07FF0 003FC07FFC03FF807FFFFFFF807FFFFFFF00FFFFFFFC00FCFFFFF800FC3FFFE0007807FE 0000262A79A830>I<0003C000000007E000000007F000000007F000000007F00000000F F00000000FE00000000FE00000000FE00000000FE00000000FE000003FFFFFFFE07FFFFF FFF0FFFFFFFFF0FFFFFFFFF0FFFFFFFFF07FFFFFFFE0003FC00000003F800000003F8000 00003F800000003F800000003F800000007F800000007F000000007F000000007F000000 007F000000007F00000000FF00000000FE00000000FE00000000FE00000000FE00000000 FE00000001FE000F8001FC001FC001FC001FC001FC001FC001FC003FC001FC003F8001FC 007F8001FC00FF8001FE01FF0001FF07FE0000FFFFFC0000FFFFF800007FFFF000003FFF E000000FFF80000003FC0000243378B130>I<3FFC003FFC007FFE007FFE00FFFE00FFFE 00FFFE00FFFE007FFE007FFE003FFE003FFE0001FE0001FE0001FC0001FC0001FC0001FC 0001FC0001FC0001FC0001FC0001FC0003FC0003FC0003FC0003F80003F80003F80003F8 0003F80003F80003F80003F80003F80007F80007F80007F80007F00007F00007F00007F0 0007F00007F00007F00007F00007F0000FF0000FF0000FF0000FE0000FE0000FE0000FE0 000FE0000FE0000FE0001FE0000FE0003FE0001FE0007FE0001FE000FFC0000FE001FFC0 000FF80FFFFF000FFFFFFFFF8007FFFFFFFF8007FFFFFFFF8003FFFF9FFF8000FFFE0FFF 00003FF000000029287AA630>I E /Fh 44 123 df<07C01FF03FF87FFCFFFEFFFEFFFE FFFEFFFEFFFEFFFE7FFC3FF81FF007C00F0F788E1F>46 D<000003C000000007C0000000 1FC00000007FC0000003FFC000003FFFC000FFFFFFC000FFFFFFC000FFFFFFC000FFFFFF C000FFC3FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0 000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC000 0003FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC00000 03FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003 FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FF C0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0 000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC0000003FFC000 FFFFFFFFFCFFFFFFFFFCFFFFFFFFFCFFFFFFFFFCFFFFFFFFFC264177C038>49 D<0000FFE00000000FFFFE0000003FFFFF800000FFFFFFE00003FFFFFFF80007FC03FFFE 000FE0007FFF001F80003FFF803F00000FFFC07F000007FFC07FC00007FFE07FF00003FF E0FFF00001FFF0FFF80001FFF0FFF80001FFF8FFF80000FFF8FFF80000FFF8FFF80000FF F8FFF80000FFF87FF00000FFF83FE00000FFF81FC00000FFF800000000FFF800000000FF F000000001FFF000000001FFF000000001FFE000000003FFE000000003FFC000000007FF 800000000FFF000000000FFF000000001FFC000000003FF8000000003FF0000000007FE0 00000000FFC000000001FF0000000003FE0000000007FC000000000FF0000000001FE000 0000003F80000000007F0000780000FE0000780001FC0000780003F80000F80007E00000 F0000FC00000F0001F800000F0003F000000F0007C000001F000F8000003F001FFFFFFFF F003FFFFFFFFE007FFFFFFFFE00FFFFFFFFFE01FFFFFFFFFE03FFFFFFFFFE07FFFFFFFFF E0FFFFFFFFFFE0FFFFFFFFFFC0FFFFFFFFFFC0FFFFFFFFFFC0FFFFFFFFFFC02D417BC038 >I<0000FFF000000007FFFF0000001FFFFFC000007FFFFFF00000FF007FF80003F8003F FE0007E0001FFF0007E0000FFF000FF80007FF800FFE0007FF801FFE0007FFC01FFF0007 FFC01FFF0007FFC01FFF0007FFC01FFF0007FFC01FFF0007FFC01FFF0007FFC00FFE0007 FFC007FC0007FF8003F8000FFF800000000FFF000000001FFF000000001FFE000000003F FC000000007FF800000000FFF000000001FFE00000000FFF80000007FFFE00000007FFF8 00000007FFFF00000007FFFFC000000000FFF0000000003FFC000000000FFE000000000F FF8000000007FF8000000003FFC000000003FFE000000003FFE000000001FFF000000001 FFF000000001FFF800000001FFF800000001FFF80FC00001FFF83FF00001FFF87FF80001 FFF87FF80001FFF8FFFC0001FFF8FFFC0001FFF8FFFC0001FFF0FFFC0001FFF0FFFC0003 FFF0FFFC0003FFE07FF80003FFE07FF00007FFC07FE00007FFC03F80000FFF801FF0001F FF000FFE00FFFE0007FFFFFFF80001FFFFFFF000007FFFFFC000001FFFFE00000001FFE0 00002D427BC038>I<000000003F0000000000003F0000000000007F000000000000FF00 0000000001FF000000000003FF000000000003FF000000000007FF00000000000FFF0000 0000001FFF00000000003FFF00000000003FFF00000000007FFF0000000000FFFF000000 0001F7FF0000000003E7FF0000000007E7FF0000000007C7FF000000000F87FF00000000 1F07FF000000003E07FF000000007E07FF000000007C07FF00000000F807FF00000001F0 07FF00000003E007FF00000007E007FF00000007C007FF0000000F8007FF0000001F0007 FF0000003E0007FF0000007C0007FF0000007C0007FF000000F80007FF000001F00007FF 000003E00007FF000007C00007FF00000FC00007FF00000F800007FF00001F000007FF00 003E000007FF00007C000007FF0000FC000007FF0000FFFFFFFFFFFF80FFFFFFFFFFFF80 FFFFFFFFFFFF80FFFFFFFFFFFF80FFFFFFFFFFFF800000000FFF00000000000FFF000000 00000FFF00000000000FFF00000000000FFF00000000000FFF00000000000FFF00000000 000FFF00000000000FFF00000000000FFF00000000000FFF00000000000FFF000000007F FFFFFF8000007FFFFFFF8000007FFFFFFF8000007FFFFFFF8000007FFFFFFF8031417DC0 38>I<07000000030007E000003F0007FF0007FF0007FFFFFFFF0007FFFFFFFE0007FFFF FFFC0007FFFFFFF80007FFFFFFF00007FFFFFFE00007FFFFFF800007FFFFFE000007FFFF FC000007FFFFE0000007FFFF00000007C00000000007C00000000007C00000000007C000 00000007C00000000007C00000000007C00000000007C00000000007C00000000007C000 00000007C03FF0000007C1FFFF000007C7FFFFC00007DFFFFFF00007FFE03FFC0007FF00 0FFE0007FC0007FF0007F00003FF8007E00003FFC007C00001FFC003800001FFE0000000 01FFE000000000FFF000000000FFF000000000FFF000000000FFF800000000FFF8000000 00FFF800000000FFF80F800000FFF83FE00000FFF87FF00000FFF8FFF00000FFF8FFF800 00FFF8FFF80000FFF8FFF80000FFF8FFF80000FFF0FFF00000FFF0FFF00001FFF07FE000 01FFE07FC00001FFE07E000003FFC03E000003FFC03F000007FF801FC0000FFF000FF000 1FFE0007FE00FFFC0003FFFFFFF00000FFFFFFE000003FFFFF8000000FFFFC00000001FF C000002D427BC038>I<000001FF800000001FFFF00000007FFFFC000001FFFFFF000007 FF807F80000FFC001F80003FF0001FC0007FE0007FC000FFC000FFE001FF8001FFE003FF 8001FFE003FF0001FFE007FE0001FFE00FFE0001FFE00FFE0001FFE01FFC0000FFC01FFC 00007F801FFC00001E003FFC000000003FFC000000003FF8000000007FF8000000007FF8 000000007FF807FC00007FF81FFF8000FFF87FFFE000FFF8FFFFF800FFF9F01FFC00FFFB C007FE00FFFF8003FF00FFFF8003FF80FFFF0001FFC0FFFE0001FFC0FFFE0000FFE0FFFE 0000FFE0FFFC0000FFF0FFFC0000FFF0FFFC0000FFF0FFFC0000FFF8FFF80000FFF8FFF8 0000FFF8FFF80000FFF8FFF80000FFF87FF80000FFF87FF80000FFF87FF80000FFF87FF8 0000FFF87FF80000FFF83FF80000FFF83FF80000FFF83FF80000FFF03FFC0000FFF01FFC 0000FFF01FFC0000FFF00FFC0001FFE00FFC0001FFE007FE0001FFC007FF0003FF8003FF 8003FF0001FFC007FE0000FFE01FFC00007FFFFFF800001FFFFFF0000007FFFFC0000001 FFFF000000003FF000002D427BC038>I<000000001F8000000000000000001F80000000 00000000003FC000000000000000003FC000000000000000007FE000000000000000007F E000000000000000007FE00000000000000000FFF00000000000000000FFF00000000000 000001FFF80000000000000001FFF80000000000000001FFF80000000000000003FFFC00 00000000000003FFFC0000000000000007FFFE0000000000000007FFFE00000000000000 07FFFE000000000000000FFFFF000000000000000F9FFF000000000000001F9FFF800000 000000001F1FFF800000000000001F0FFF800000000000003F0FFFC00000000000003E07 FFC00000000000007E07FFE00000000000007C07FFE00000000000007C03FFE000000000 0000FC03FFF0000000000000F801FFF0000000000001F801FFF8000000000001F001FFF8 000000000001F000FFF8000000000003F000FFFC000000000003E0007FFC000000000007 E0007FFE000000000007C0007FFE000000000007C0003FFE00000000000FC0003FFF0000 0000000F80001FFF00000000001F80001FFF80000000001F00000FFF80000000001F0000 0FFF80000000003F00000FFFC0000000003E000007FFC0000000007E000007FFE0000000 007FFFFFFFFFE0000000007FFFFFFFFFE000000000FFFFFFFFFFF000000000FFFFFFFFFF F000000001FFFFFFFFFFF800000001F0000000FFF800000001F0000000FFF800000003F0 000000FFFC00000003E00000007FFC00000007E00000007FFE00000007C00000003FFE00 000007C00000003FFE0000000F800000003FFF0000000F800000001FFF0000001F800000 001FFF8000001F000000000FFF8000003F000000000FFFC000003E000000000FFFC00000 7E0000000007FFC000FFFFFF00000FFFFFFFF0FFFFFF00000FFFFFFFF0FFFFFF00000FFF FFFFF0FFFFFF00000FFFFFFFF0FFFFFF00000FFFFFFFF04C457CC455>65 DI<00000000FFF00000700000001FFFFF0000F0000001FFFFFFE001F000 0007FFFFFFF803F000003FFFFFFFFE07F00000FFFFE001FF0FF00001FFFE00003F9FF000 07FFF000000FFFF0000FFFC0000007FFF0001FFF00000003FFF0003FFE00000001FFF000 7FFC00000000FFF000FFF8000000007FF001FFF0000000003FF003FFE0000000001FF007 FFE0000000001FF007FFC0000000000FF00FFF80000000000FF00FFF800000000007F01F FF000000000007F01FFF000000000003F03FFF000000000003F03FFE000000000003F03F FE000000000003F07FFE000000000001F07FFE000000000001F07FFE000000000001F07F FC00000000000000FFFC00000000000000FFFC00000000000000FFFC00000000000000FF FC00000000000000FFFC00000000000000FFFC00000000000000FFFC00000000000000FF FC00000000000000FFFC00000000000000FFFC00000000000000FFFC00000000000000FF FC00000000000000FFFC00000000000000FFFC000000000000007FFC000000000000007F FE000000000000007FFE000000000000F07FFE000000000000F03FFE000000000000F03F FE000000000000F03FFF000000000000F01FFF000000000001F01FFF000000000001E00F FF800000000001E00FFF800000000003E007FFC00000000003C007FFE00000000007C003 FFE00000000007C001FFF0000000000F8000FFF8000000001F00007FFC000000003F0000 3FFE000000007E00001FFF80000000FC00000FFFC0000001F8000007FFF0000007F00000 01FFFE00001FE0000000FFFFF001FF800000003FFFFFFFFF0000000007FFFFFFFC000000 0001FFFFFFF000000000001FFFFF80000000000000FFF800000044467AC451>II< FFFFFFFFFFFFFFF800FFFFFFFFFFFFFFF800FFFFFFFFFFFFFFF800FFFFFFFFFFFFFFF800 FFFFFFFFFFFFFFFC00001FFF000001FFFC00001FFF0000003FFC00001FFF0000000FFC00 001FFF00000003FC00001FFF00000001FC00001FFF00000000FC00001FFF00000000FC00 001FFF000000007E00001FFF000000003E00001FFF000000003E00001FFF000000003E00 001FFF000000001E00001FFF000000001E00001FFF000078001E00001FFF000078001E00 001FFF000078000F00001FFF000078000F00001FFF000078000F00001FFF000078000F00 001FFF0000F8000000001FFF0000F8000000001FFF0000F8000000001FFF0001F8000000 001FFF0003F8000000001FFF001FF8000000001FFFFFFFF8000000001FFFFFFFF8000000 001FFFFFFFF8000000001FFFFFFFF8000000001FFFFFFFF8000000001FFF001FF8000000 001FFF0003F8000000001FFF0001F8000000001FFF0000F8000000001FFF0000F8000000 001FFF0000F80001E0001FFF0000780001E0001FFF0000780001E0001FFF0000780003C0 001FFF0000780003C0001FFF0000780003C0001FFF0000780003C0001FFF0000000003C0 001FFF0000000007C0001FFF0000000007C0001FFF000000000780001FFF000000000780 001FFF000000000F80001FFF000000000F80001FFF000000001F80001FFF000000001F80 001FFF000000003F80001FFF000000007F00001FFF00000000FF00001FFF00000001FF00 001FFF00000007FF00001FFF0000001FFF00001FFF000001FFFF00FFFFFFFFFFFFFFFF00 FFFFFFFFFFFFFFFE00FFFFFFFFFFFFFFFE00FFFFFFFFFFFFFFFE00FFFFFFFFFFFFFFFE00 43447DC34A>II<00000000FFF0000070000000001FFFFF0000 F000000001FFFFFFE001F000000007FFFFFFF803F00000003FFFFFFFFE07F0000000FFFF E001FF0FF0000001FFFE00003F9FF0000007FFF000000FFFF000000FFFC0000007FFF000 001FFF00000003FFF000003FFE00000001FFF000007FFC00000000FFF00000FFF8000000 007FF00001FFF0000000003FF00003FFE0000000001FF00007FFE0000000001FF00007FF C0000000000FF0000FFF80000000000FF0000FFF800000000007F0001FFF000000000007 F0001FFF000000000003F0003FFF000000000003F0003FFE000000000003F0003FFE0000 00000003F0007FFE000000000001F0007FFE000000000001F0007FFE000000000001F000 7FFC0000000000000000FFFC0000000000000000FFFC0000000000000000FFFC00000000 00000000FFFC0000000000000000FFFC0000000000000000FFFC0000000000000000FFFC 0000000000000000FFFC0000000000000000FFFC0000000000000000FFFC000000000000 0000FFFC0000000000000000FFFC0000000000000000FFFC0000000000000000FFFC0000 007FFFFFFFF07FFC0000007FFFFFFFF07FFE0000007FFFFFFFF07FFE0000007FFFFFFFF0 7FFE0000007FFFFFFFF03FFE0000000001FFF0003FFE0000000001FFF0003FFF00000000 01FFF0001FFF0000000001FFF0001FFF0000000001FFF0000FFF8000000001FFF0000FFF 8000000001FFF00007FFC000000001FFF00007FFE000000001FFF00003FFE000000001FF F00001FFF000000001FFF00000FFF800000001FFF000007FFC00000001FFF000003FFE00 000003FFF000001FFF80000003FFF000000FFFC0000007FFF0000007FFF000000FFFF000 0001FFFE00003FFFF0000000FFFFF001FF9FF00000003FFFFFFFFF0FF000000007FFFFFF FC03F000000001FFFFFFF000F0000000001FFFFFC000300000000000FFFC000000004C46 7AC458>I73 D75 D78 D<00000007FFC0000000000000FFFFFE000000000007FFFFFFC00000 00001FFFFFFFF0000000007FFE00FFFC00000001FFF0001FFF00000007FF800003FFC000 000FFF000001FFE000001FFC0000007FF000003FF80000003FF800007FF00000001FFC00 00FFF00000001FFE0001FFE00000000FFF0003FFC000000007FF8003FFC000000007FF80 07FF8000000003FFC007FF8000000003FFC00FFF0000000001FFE00FFF0000000001FFE0 1FFF0000000001FFF01FFE0000000000FFF03FFE0000000000FFF83FFE0000000000FFF8 3FFE0000000000FFF87FFE0000000000FFFC7FFC00000000007FFC7FFC00000000007FFC 7FFC00000000007FFC7FFC00000000007FFCFFFC00000000007FFEFFFC00000000007FFE FFFC00000000007FFEFFFC00000000007FFEFFFC00000000007FFEFFFC00000000007FFE FFFC00000000007FFEFFFC00000000007FFEFFFC00000000007FFEFFFC00000000007FFE FFFC00000000007FFEFFFC00000000007FFEFFFC00000000007FFE7FFC00000000007FFC 7FFE0000000000FFFC7FFE0000000000FFFC7FFE0000000000FFFC3FFE0000000000FFF8 3FFE0000000000FFF83FFF0000000001FFF81FFF0000000001FFF01FFF0000000001FFF0 1FFF8000000003FFF00FFF8000000003FFE00FFF8000000003FFE007FFC000000007FFC0 03FFC000000007FF8003FFE00000000FFF8001FFF00000001FFF0000FFF80000003FFE00 007FFC0000007FFC00003FFE000000FFF800001FFF000001FFF000000FFFC00007FFE000 0007FFF0001FFFC0000001FFFE00FFFF00000000FFFFFFFFFE000000003FFFFFFFF80000 000007FFFFFFC00000000000FFFFFE00000000000007FFC000000047467AC454>II<0000FFE0001C000007FFFE003C00003FFFFF807C0000FFFFFFE0FC0001FFFF FFF9FC0003FF801FFFFC0007FC0001FFFC000FF800007FFC001FF000003FFC003FE00000 0FFC003FC0000007FC007FC0000003FC007F80000003FC007F80000001FC007F80000000 FC00FF80000000FC00FF800000007C00FF800000007C00FFC00000007C00FFC00000007C 00FFE00000003C00FFF00000003C00FFF80000003C00FFFC00000000007FFE0000000000 7FFFE0000000007FFFFE000000003FFFFFF00000003FFFFFFF0000001FFFFFFFE000001F FFFFFFFC00000FFFFFFFFE000007FFFFFFFF800003FFFFFFFFC00001FFFFFFFFE000007F FFFFFFF000001FFFFFFFF8000007FFFFFFFC000000FFFFFFFC0000000FFFFFFE00000000 FFFFFE0000000007FFFF00000000007FFF00000000003FFF00000000000FFF8000000000 07FF800000000003FF80F000000003FF80F000000001FF80F000000001FF80F000000000 FF80F000000000FF80F800000000FF80F800000000FF80F800000000FF00FC00000000FF 00FC00000000FF00FE00000001FF00FF00000001FE00FF80000003FE00FFC0000003FC00 FFE0000007FC00FFF800000FF800FFFF00003FF000FFFFF800FFE000FE7FFFFFFFC000FC 1FFFFFFF0000F807FFFFFC0000F000FFFFF00000E00007FF80000031467AC43E>83 D<3FFFFFFFFFFFFFFFE03FFFFFFFFFFFFFFFE03FFFFFFFFFFFFFFFE03FFFFFFFFFFFFFFF E03FFFFFFFFFFFFFFFE03FFE000FFF8003FFE07FE0000FFF80003FF07FC0000FFF80001F F07F00000FFF800007F07F00000FFF800007F07E00000FFF800003F07C00000FFF800001 F07C00000FFF800001F07C00000FFF800001F07800000FFF800000F07800000FFF800000 F07800000FFF800000F07800000FFF800000F0F800000FFF800000F8F000000FFF800000 78F000000FFF80000078F000000FFF80000078F000000FFF80000078F000000FFF800000 780000000FFF800000000000000FFF800000000000000FFF800000000000000FFF800000 000000000FFF800000000000000FFF800000000000000FFF800000000000000FFF800000 000000000FFF800000000000000FFF800000000000000FFF800000000000000FFF800000 000000000FFF800000000000000FFF800000000000000FFF800000000000000FFF800000 000000000FFF800000000000000FFF800000000000000FFF800000000000000FFF800000 000000000FFF800000000000000FFF800000000000000FFF800000000000000FFF800000 000000000FFF800000000000000FFF800000000000000FFF800000000000000FFF800000 000000000FFF800000000000000FFF800000000000000FFF800000000000000FFF800000 000000000FFF800000000000000FFF800000000000000FFF800000000000000FFF800000 000000000FFF800000000000000FFF800000000007FFFFFFFFFF00000007FFFFFFFFFF00 000007FFFFFFFFFF00000007FFFFFFFFFF00000007FFFFFFFFFF000045437CC24E>II<7FFFFFFFC003FFFFFF807FFFFFFFC003FFFFFF807FFFFFFF C003FFFFFF807FFFFFFFC003FFFFFF807FFFFFFFC003FFFFFF80000FFFE0000001F80000 0007FFE0000003F000000007FFF0000007F000000003FFF8000007E000000001FFFC0000 0FC000000001FFFC00001F8000000000FFFE00003F80000000007FFF00003F0000000000 3FFF00007E00000000003FFF8000FC00000000001FFFC001FC00000000000FFFE001F800 000000000FFFE003F0000000000007FFF007E0000000000003FFF80FE0000000000001FF FC0FC0000000000001FFFC1F80000000000000FFFE3F000000000000007FFF7F00000000 0000003FFF7E000000000000003FFFFC000000000000001FFFF8000000000000000FFFF8 000000000000000FFFF00000000000000007FFF00000000000000003FFF8000000000000 0001FFF80000000000000001FFFC0000000000000000FFFE00000000000000007FFF0000 000000000000FFFF0000000000000000FFFF8000000000000001FFFFC000000000000003 FFFFC000000000000007FFFFE000000000000007E7FFF00000000000000FC3FFF8000000 0000001F83FFF80000000000003F81FFFC0000000000003F00FFFE0000000000007E007F FE000000000000FC007FFF000000000001FC003FFF800000000001F8001FFFC000000000 03F0001FFFC00000000007E0000FFFE0000000000FE00007FFF0000000000FC00003FFF0 000000001F800003FFF8000000003F000001FFFC000000003F000000FFFE000000007E00 0000FFFE00000000FC0000007FFF00000001FC0000003FFF80000001F80000001FFF8000 0003F00000001FFFC0000007E00000000FFFE000000FE000000007FFF000FFFFFFE00003 FFFFFFFCFFFFFFE00003FFFFFFFCFFFFFFE00003FFFFFFFCFFFFFFE00003FFFFFFFCFFFF FFE00003FFFFFFFC4E447DC355>88 D<0001FFE0000000001FFFFE000000007FFFFF8000 0001FFFFFFE0000003FE007FF8000007FC001FFC000007FE000FFE00000FFF0007FF0000 0FFF0007FF00000FFF0003FF80000FFF0003FF80000FFF0003FF80000FFF0001FFC00007 FE0001FFC00003FC0001FFC00000F00001FFC00000000001FFC00000000001FFC0000000 0001FFC00000000001FFC000000003FFFFC0000000FFFFFFC0000007FFFFFFC000003FFF F1FFC00000FFFC01FFC00003FFE001FFC0000FFF8001FFC0001FFE0001FFC0003FFC0001 FFC0003FF80001FFC0007FF80001FFC0007FF00001FFC000FFF00001FFC000FFE00001FF C000FFE00001FFC000FFE00001FFC000FFE00003FFC000FFE00003FFC000FFF00007FFC0 007FF8000FFFC0007FF8001FFFF0003FFE003EFFFFC01FFF80FC7FFFC007FFFFF87FFFC0 03FFFFE01FFFC0007FFF8007FFC0000FFC00000000322F7DAD36>97 D<0000000003FE0000000007FFFE0000000007FFFE0000000007FFFE0000000007FFFE00 00000007FFFE00000000001FFE00000000000FFE00000000000FFE00000000000FFE0000 0000000FFE00000000000FFE00000000000FFE00000000000FFE00000000000FFE000000 00000FFE00000000000FFE00000000000FFE00000000000FFE00000000000FFE00000000 000FFE00000000000FFE00000000000FFE00000000000FFE0000003FE00FFE000003FFFC 0FFE00000FFFFF8FFE00003FFFFFCFFE0000FFF807FFFE0001FFC001FFFE0003FF80007F FE0007FF00003FFE000FFE00001FFE000FFC00000FFE001FFC00000FFE003FF800000FFE 003FF800000FFE003FF800000FFE007FF800000FFE007FF000000FFE007FF000000FFE00 FFF000000FFE00FFF000000FFE00FFF000000FFE00FFF000000FFE00FFF000000FFE00FF F000000FFE00FFF000000FFE00FFF000000FFE00FFF000000FFE00FFF000000FFE00FFF0 00000FFE00FFF000000FFE007FF000000FFE007FF000000FFE007FF000000FFE007FF800 000FFE003FF800000FFE003FF800000FFE001FFC00001FFE001FFC00001FFE000FFE0000 3FFE0007FE00007FFE0003FF0000FFFF0001FFC003FFFFFC00FFF01FEFFFFC007FFFFF8F FFFC001FFFFE0FFFFC0007FFF80FFFFC00007FC00FF80036467CC43E>100 D<00003FF800000003FFFF8000000FFFFFE000003FFFFFF000007FF83FF80000FFC007FC 0001FF8003FE0003FF0001FF0007FE0000FF800FFC0000FF801FFC00007FC01FF800007F C03FF800003FE03FF800003FE07FF800003FE07FF000003FE07FF000003FF07FF000001F F0FFF000001FF0FFF000001FF0FFFFFFFFFFF0FFFFFFFFFFF0FFFFFFFFFFF0FFFFFFFFFF F0FFF000000000FFF000000000FFF000000000FFF000000000FFF0000000007FF0000000 007FF0000000007FF8000000007FF8000000003FF8000000003FF8000000F01FFC000000 F01FFC000001F00FFE000001E007FF000003E003FF800007C001FFC0000F8000FFF0003F 00007FFE01FE00001FFFFFFC000007FFFFF0000001FFFFC00000001FFE00002C2F7DAD33 >I<000000FF8000000FFFE000007FFFF00001FFFFF80003FF8FFC000FFE0FFE001FFC1F FE001FF81FFE003FF81FFE007FF01FFE007FF01FFE007FF00FFC00FFE00FFC00FFE003F0 00FFE000C000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000 FFE0000000FFE0000000FFE0000000FFE0000000FFE00000FFFFFFF800FFFFFFF800FFFF FFF800FFFFFFF800FFFFFFF80000FFE0000000FFE0000000FFE0000000FFE0000000FFE0 000000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE000 0000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE00000 00FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000 FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FF E000007FFFFFE0007FFFFFE0007FFFFFE0007FFFFFE0007FFFFFE00027467DC522>I<00 00FFE0007E00000FFFFE03FF80003FFFFF8FFF8000FFFFFFFFFFC001FFC07FFF3FC003FF 001FF83FC007FE000FFC3FC00FFC0007FE1F801FFC0007FF0F001FF80003FF00001FF800 03FF00003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003 FF80003FF80003FF80003FF80003FF80003FF80003FF80001FF80003FF00001FF80003FF 00001FFC0007FF00000FFC0007FE000007FE000FFC000003FF001FF8000001FFC07FF000 0003FFFFFFE0000003FFFFFF800000078FFFFE0000000780FFE00000000F800000000000 0F8000000000000F8000000000000F8000000000000FC000000000000FE000000000000F F000000000000FFFFFFFC000000FFFFFFFFC000007FFFFFFFF800007FFFFFFFFE00003FF FFFFFFF00001FFFFFFFFFC0000FFFFFFFFFC0003FFFFFFFFFE000FFFFFFFFFFF001FF000 007FFF003FC0000007FF007F80000001FF807F80000000FF80FF00000000FF80FF000000 007F80FF000000007F80FF000000007F80FF000000007F80FF80000000FF807F80000000 FF007FC0000001FF003FE0000003FE001FF0000007FC000FFE00003FF80007FFC001FFF0 0001FFFFFFFFC000007FFFFFFF0000000FFFFFF8000000007FFF00000032427DAC38>I< 007FC000000000FFFFC000000000FFFFC000000000FFFFC000000000FFFFC000000000FF FFC00000000003FFC00000000001FFC00000000001FFC00000000001FFC00000000001FF C00000000001FFC00000000001FFC00000000001FFC00000000001FFC00000000001FFC0 0000000001FFC00000000001FFC00000000001FFC00000000001FFC00000000001FFC000 00000001FFC00000000001FFC00000000001FFC00000000001FFC007FE000001FFC03FFF 800001FFC0FFFFE00001FFC1FFFFF80001FFC7F03FFC0001FFCF801FFC0001FFDF000FFE 0001FFDE000FFE0001FFFC000FFE0001FFF80007FF0001FFF00007FF0001FFF00007FF00 01FFE00007FF0001FFE00007FF0001FFE00007FF0001FFC00007FF0001FFC00007FF0001 FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FF C00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC0 0007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC000 07FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007 FF0001FFC00007FF0001FFC00007FF00FFFFFF83FFFFFEFFFFFF83FFFFFEFFFFFF83FFFF FEFFFFFF83FFFFFEFFFFFF83FFFFFE37457CC43E>I<007C0001FF0003FF8007FFC007FF C00FFFE00FFFE00FFFE00FFFE00FFFE007FFC007FFC003FF8001FF00007C000000000000 00000000000000000000000000000000000000000000000000007FC07FFFC07FFFC07FFF C07FFFC07FFFC003FFC001FFC001FFC001FFC001FFC001FFC001FFC001FFC001FFC001FF C001FFC001FFC001FFC001FFC001FFC001FFC001FFC001FFC001FFC001FFC001FFC001FF C001FFC001FFC001FFC001FFC001FFC001FFC001FFC001FFC001FFC001FFC001FFC001FF C0FFFFFFFFFFFFFFFFFFFFFFFFFFFFFF18467CC520>I<007FC000FFFFC000FFFFC000FF FFC000FFFFC000FFFFC00003FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001 FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001 FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001 FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001 FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001 FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001 FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC000FFFFFF80FFFFFF80FF FFFF80FFFFFF80FFFFFF8019457CC420>108 D<007F8007FE00000FFC0000FFFF803FFF C0007FFF8000FFFF80FFFFF001FFFFE000FFFF81FFFFF803FFFFF000FFFF87F01FFC0FE0 3FF800FFFF8FC00FFE1F801FFC0003FF9F000FFF3E001FFE0001FF9E0007FF3C000FFE00 01FFBC0007FF78000FFE0001FFF80003FFF00007FF0001FFF80003FFF00007FF0001FFF0 0003FFE00007FF0001FFE00003FFC00007FF0001FFE00003FFC00007FF0001FFE00003FF C00007FF0001FFC00003FF800007FF0001FFC00003FF800007FF0001FFC00003FF800007 FF0001FFC00003FF800007FF0001FFC00003FF800007FF0001FFC00003FF800007FF0001 FFC00003FF800007FF0001FFC00003FF800007FF0001FFC00003FF800007FF0001FFC000 03FF800007FF0001FFC00003FF800007FF0001FFC00003FF800007FF0001FFC00003FF80 0007FF0001FFC00003FF800007FF0001FFC00003FF800007FF0001FFC00003FF800007FF 0001FFC00003FF800007FF0001FFC00003FF800007FF0001FFC00003FF800007FF0001FF C00003FF800007FF0001FFC00003FF800007FF0001FFC00003FF800007FF0001FFC00003 FF800007FF0001FFC00003FF800007FF0001FFC00003FF800007FF00FFFFFF81FFFFFF03 FFFFFEFFFFFF81FFFFFF03FFFFFEFFFFFF81FFFFFF03FFFFFEFFFFFF81FFFFFF03FFFFFE FFFFFF81FFFFFF03FFFFFE572D7CAC5E>I<007F8007FE0000FFFF803FFF8000FFFF80FF FFE000FFFF81FFFFF800FFFF87F03FFC00FFFF8F801FFC0003FF9F000FFE0001FF9E000F FE0001FFBC000FFE0001FFF80007FF0001FFF00007FF0001FFF00007FF0001FFE00007FF 0001FFE00007FF0001FFE00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF00 01FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001 FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FF C00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC0 0007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC000 07FF0001FFC00007FF00FFFFFF83FFFFFEFFFFFF83FFFFFEFFFFFF83FFFFFEFFFFFF83FF FFFEFFFFFF83FFFFFE372D7CAC3E>I<00001FFC0000000001FFFFC000000007FFFFF000 00001FFFFFFC0000007FF80FFF000000FFC001FF800001FF8000FFC00003FE00003FE000 07FE00003FF0000FFC00001FF8000FF800000FF8001FF800000FFC001FF800000FFC003F F800000FFE003FF0000007FE007FF0000007FF007FF0000007FF007FF0000007FF007FF0 000007FF00FFF0000007FF80FFF0000007FF80FFF0000007FF80FFF0000007FF80FFF000 0007FF80FFF0000007FF80FFF0000007FF80FFF0000007FF80FFF0000007FF80FFF00000 07FF807FF0000007FF007FF0000007FF007FF0000007FF007FF0000007FF003FF800000F FE003FF800000FFE001FF800000FFC001FFC00001FFC000FFC00001FF80007FE00003FF0 0007FE00003FF00003FF8000FFE00001FFC001FFC000007FF80FFF0000003FFFFFFE0000 000FFFFFF800000001FFFFC0000000001FFC000000312F7DAD38>I<007FC00FF80000FF FFC0FFFF8000FFFFC3FFFFE000FFFFCFFFFFF800FFFFDFC03FFC00FFFFFF001FFE0003FF FC0007FF0001FFF80003FF8001FFF00003FFC001FFE00001FFE001FFC00001FFE001FFC0 0000FFF001FFC00000FFF001FFC000007FF801FFC000007FF801FFC000007FF801FFC000 007FF801FFC000003FFC01FFC000003FFC01FFC000003FFC01FFC000003FFC01FFC00000 3FFC01FFC000003FFC01FFC000003FFC01FFC000003FFC01FFC000003FFC01FFC000003F FC01FFC000003FFC01FFC000003FFC01FFC000007FF801FFC000007FF801FFC000007FF8 01FFC000007FF001FFC00000FFF001FFC00000FFF001FFC00001FFE001FFE00001FFC001 FFF00003FFC001FFF80007FF8001FFFC000FFF0001FFFE001FFE0001FFDFC07FFC0001FF CFFFFFF00001FFC3FFFFC00001FFC0FFFF000001FFC01FF0000001FFC00000000001FFC0 0000000001FFC00000000001FFC00000000001FFC00000000001FFC00000000001FFC000 00000001FFC00000000001FFC00000000001FFC00000000001FFC00000000001FFC00000 000001FFC000000000FFFFFF80000000FFFFFF80000000FFFFFF80000000FFFFFF800000 00FFFFFF8000000036407DAC3E>I<007F807F00FFFF81FFE0FFFF83FFF0FFFF8FFFF8FF FF8F8FFCFFFF9F1FFE03FFBE1FFE01FFBC1FFE01FFF81FFE01FFF81FFE01FFF01FFE01FF F00FFC01FFE007F801FFE001E001FFE0000001FFE0000001FFE0000001FFC0000001FFC0 000001FFC0000001FFC0000001FFC0000001FFC0000001FFC0000001FFC0000001FFC000 0001FFC0000001FFC0000001FFC0000001FFC0000001FFC0000001FFC0000001FFC00000 01FFC0000001FFC0000001FFC0000001FFC0000001FFC0000001FFC0000001FFC00000FF FFFFE000FFFFFFE000FFFFFFE000FFFFFFE000FFFFFFE000272D7DAC2E>114 D<001FFC038000FFFF878003FFFFFF800FFFFFFF801FF003FF803FC000FF803F80003F80 7F00001F807E00001F80FE00000F80FE00000F80FE00000780FF00000780FF00000780FF 80000780FFE0000000FFFE0000007FFFF000007FFFFF00003FFFFFC0003FFFFFF0001FFF FFFC000FFFFFFE0003FFFFFF0001FFFFFF80007FFFFF80000FFFFFC000003FFFC0000003 FFE0000000FFE0F000003FE0F000003FE0F800001FE0F800000FE0F800000FE0FC00000F E0FC00000FE0FE00000FC0FF00001FC0FF00001FC0FF80003F80FFE0007F00FFF803FE00 FFFFFFFC00FCFFFFF800F03FFFE000E007FE0000232F7CAD2C>I<0001E000000001E000 000001E000000001E000000001E000000003E000000003E000000003E000000003E00000 0007E000000007E00000000FE00000000FE00000001FE00000001FE00000003FE0000000 7FE0000000FFE0000003FFE000000FFFFFFF80FFFFFFFF80FFFFFFFF80FFFFFFFF80FFFF FFFF8000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE0 000000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE000 0000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE0000000FFE00000 00FFE001E000FFE001E000FFE001E000FFE001E000FFE001E000FFE001E000FFE001E000 FFE001E000FFE001E000FFE003E000FFF003C0007FF003C0007FF007C0003FF80F80001F FC1F00000FFFFF000007FFFC000001FFF80000003FE00023407EBE2C>I<007FC00001FF 00FFFFC003FFFF00FFFFC003FFFF00FFFFC003FFFF00FFFFC003FFFF00FFFFC003FFFF00 03FFC0000FFF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001 FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FF C00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC0 0007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC000 07FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007FF0001FFC00007 FF0001FFC00007FF0001FFC0000FFF0001FFC0000FFF0001FFC0001FFF0001FFC0001FFF 0001FFC0003FFF0000FFC0003FFF0000FFE0007FFF80007FE001F7FFFE007FF807E7FFFE 003FFFFFC7FFFE000FFFFF07FFFE0003FFFE07FFFE00007FF007FC00372E7CAC3E>IIIII<1FFFFFFFFF801FFFFFFFFF801FFFFFFFFF 801FFFFFFFFF801FFC001FFF001FE0003FFE001FC0003FFE001F80007FFC001F0000FFF8 003F0001FFF0003E0001FFF0003E0003FFE0003E0007FFC0003C000FFF80003C000FFF80 003C001FFF00003C003FFE00003C007FFC000000007FFC00000000FFF800000001FFF000 000003FFE000000003FFE000000007FFC00000000FFF800780001FFF000780001FFF0007 80003FFE000780007FFC000F8000FFF8000F0000FFF8000F0001FFF0000F0003FFE0001F 0007FFC0001F0007FFC0001F000FFF80003F001FFF00007F003FFE0000FF003FFE0003FF 007FFC001FFE00FFFFFFFFFE00FFFFFFFFFE00FFFFFFFFFE00FFFFFFFFFE00292C7DAB32 >I E /Fi 41 122 df<0000000007FF80000000003FFFE000000000FE00F800000001F0 003E00000007E0000E0000000FC0001F0000000F80007F0000001F8000FF0000003F0000 FF0000003F0000FF0000003F0000FE0000007E0000FE0000007E0000780000007E000000 000000FE000000000000FC000000000000FC000000000000FC000000000001FC00000000 0001FC000000000001F8000000000001F8000000000001F8000000000001F80000000000 03F80000000003FFFFFFFFF00003FFFFFFFFF00003FFFFFFFFE0000003F00007E0000007 F0000FE0000007E0000FC0000007E0000FC0000007E0000FC0000007E0001FC000000FE0 001F8000000FC0001F8000000FC0001F8000000FC0003F8000000FC0003F0000001FC000 3F0000001F80003F0000001F80007F0000001F80007E0000001F80007E0000003F80007E 0000003F0000FE0000003F0000FC0000003F0000FC0000003F0000FC0000007F0001FC00 00007E0001F81C00007E0001F81C00007E0001F81C00007E0003F81C0000FE0003F03C00 00FC0003F0380000FC0003F0380000FC0003F0780000FC0003F0700001FC0003F0700001 F80001F0F00001F80001F0E00001F80000F1C00001F800007F800003F000001F000003F0 000000000003F0000000000003F0000000000003E0000000000007E0000000000007E000 0000001E07C0000000007F07C0000000007F0FC000000000FF0F8000000000FF0F800000 0000FF1F0000000000FE1F0000000000F81E0000000000703C0000000000787800000000 001FF0000000000007C00000000000385383BF33>12 D<01E007F80FF80FF81FFC1FFC1F FC1FFC0FF8079800180038003000300070006000E000C001C00380070006000E001C0038 007000E000C0000E1C7A891C>44 D<7FFFFE7FFFFE7FFFFEFFFFFEFFFFFE1705799521> I<0F003FC07FC07FC0FFC0FFC0FFC0FF807F003C000A0A77891C>I<001E00003F80007F 8000FFC001FFC001FFC001FF8000FF0000FE00003C000000000000000000000000000000 000000000000000000000000000000000000000000000000000000000000000000000000 000000000000000F00003FC0007FC0007FC000FFC000FFC000FFC000FF80007F00003C00 00122777A61C>58 D<00000000001C000000000000003C000000000000007C0000000000 00007C00000000000000FC00000000000000FC00000000000001FC00000000000003FC00 000000000003FC00000000000007FC00000000000007FC0000000000000FFE0000000000 000FFE0000000000001DFE0000000000001DFE00000000000039FE00000000000079FE00 000000000071FE000000000000E1FE000000000000E1FE000000000001C1FE0000000000 01C1FE00000000000381FE00000000000781FE00000000000701FE00000000000E01FE00 000000000E01FE00000000001C01FF00000000001C01FF00000000003800FF0000000000 3800FF00000000007000FF0000000000F000FF0000000000E000FF0000000001C000FF00 00000001C000FF00000000038000FF00000000038000FF00000000070000FF000000000F 0000FF000000000E0000FF000000001C0000FF000000001FFFFFFF000000003FFFFFFF80 0000003FFFFFFF800000007000007F800000007000007F80000000E000007F80000001E0 00007F80000001C000007F800000038000007F800000038000007F800000070000007F80 0000070000007F8000000E0000007F8000001E0000007F8000001C0000007F8000003C00 00007F800000780000007F800000F80000007FC00001FC0000007FC00007FE000001FFC0 00FFFFE0007FFFFF80FFFFE0007FFFFF80FFFFC0007FFFFF8039417BC044>65 D<00000000FF8001C00000000FFFE001C00000003FFFF80380000000FF807E0780000003 FC001F0F8000000FF000071F8000001FC00007BF0000007F800003FF000000FF000001FF 000001FE000001FF000003F8000000FE000007F0000000FE00000FF0000000FE00001FE0 0000007E00003FC00000007C00007F800000007C0000FF800000007C0000FF000000007C 0001FE00000000780003FE00000000780003FC00000000780007FC00000000780007F800 00000070000FF80000000070000FF80000000070001FF00000000070001FF00000000000 003FE00000000000003FE00000000000003FE00000000000007FE00000000000007FC000 00000000007FC00000000000007FC0000000000000FFC0000000000000FF800000000000 00FF80000000000000FF80000000000000FF80000000000000FF00000000000000FF0000 0000000000FF000000000F0000FF000000000F0000FF000000000E0000FF000000000E00 00FF000000001E0000FF000000001C0000FF000000003C0000FF00000000380000FF0000 00007800007F000000007000007F80000000F000007F80000001E000003F80000001C000 003FC0000003C000001FC00000078000001FE000000F0000000FE000001E00000007F000 003C00000003F80000F800000001FC0001F000000000FE0007C0000000007FC03F800000 00001FFFFE000000000007FFF0000000000000FF80000000003A4272BF41>67 D<0001FFFFFFFFC0000001FFFFFFFFF8000001FFFFFFFFFE00000003FE0003FF00000003 FE00007F80000003FC00001FC0000003FC00000FE0000003FC000007F0000007FC000007 F0000007F8000003F8000007F8000001FC000007F8000001FC00000FF8000001FC00000F F0000000FE00000FF0000000FE00000FF0000000FE00001FF0000000FE00001FE0000000 FF00001FE0000000FF00001FE0000000FF00003FE0000000FF00003FC0000000FF00003F C0000000FF00003FC0000000FF00007FC0000001FF00007F80000001FF00007F80000001 FF00007F80000001FE0000FF80000001FE0000FF00000003FE0000FF00000003FE0000FF 00000003FE0001FF00000003FC0001FE00000007FC0001FE00000007FC0001FE00000007 F80003FE00000007F80003FC0000000FF80003FC0000000FF00003FC0000000FF00007FC 0000001FE00007F80000001FE00007F80000003FC00007F80000003FC0000FF80000007F 80000FF00000007F00000FF0000000FF00000FF0000000FE00001FF0000001FC00001FE0 000003F800001FE0000007F000001FE0000007F000003FE000000FE000003FC000003FC0 00003FC000007F0000007FC00000FE0000007FC00003FC0000007F80000FF0000000FF80 007FE00000FFFFFFFFFF800000FFFFFFFFFC000000FFFFFFFFE0000000403E7BBD45>I< 0001FFFFFFFFFFF80001FFFFFFFFFFF80001FFFFFFFFFFF8000003FE00001FF8000003FE 000007F8000003FC000003F8000003FC000001F8000003FC000000F0000007FC000000F0 000007F8000000F0000007F8000000F0000007F8000000F000000FF8000000F000000FF0 000000F000000FF0000000E000000FF0000000E000001FF0000000E000001FE0003800E0 00001FE0003800E000001FE0007801E000003FE0007001C000003FC00070000000003FC0 0070000000003FC000F0000000007FC000E0000000007F8001E0000000007F8003E00000 00007F800FE000000000FFFFFFC000000000FFFFFFC000000000FFFFFFC000000000FF00 1FC000000001FF00078000000001FE00078000000001FE00078000000001FE0007800000 0003FE00070000000003FC00070000000003FC00070003800003FC000F0007800007FC00 0E0007000007F8000E0007000007F80000000F000007F80000000E00000FF80000001E00 000FF00000001C00000FF00000003C00000FF00000003C00001FF00000007800001FE000 00007800001FE0000000F000001FE0000000F000003FE0000001F000003FC0000003E000 003FC0000007E000007FC000000FE000007FC000001FC000007F8000007FC00000FF8000 07FF8000FFFFFFFFFFFF8000FFFFFFFFFFFF8000FFFFFFFFFFFF00003D3E7BBD3E>I<00 01FFFFFFFFFFF00001FFFFFFFFFFF00001FFFFFFFFFFF0000003FE00003FF0000003FE00 000FF0000003FC000003F0000003FC000003F0000003FC000001E0000007FC000001E000 0007F8000001E0000007F8000001E0000007F8000001E000000FF8000001E000000FF000 0001E000000FF0000001C000000FF0000001C000001FF0000001C000001FE0000001C000 001FE0007001C000001FE000F003C000003FE000E0038000003FC000E0000000003FC000 E0000000003FC001E0000000007FC001C0000000007F8003C0000000007F8003C0000000 007F8007C000000000FF801F8000000000FFFFFF8000000000FFFFFF8000000000FFFFFF 8000000001FF003F0000000001FE001F0000000001FE000F0000000001FE000F00000000 03FE000E0000000003FC000E0000000003FC000E0000000003FC001E0000000007FC001C 0000000007F8001C0000000007F8001C0000000007F80000000000000FF8000000000000 0FF00000000000000FF00000000000000FF00000000000001FF00000000000001FE00000 000000001FE00000000000001FE00000000000003FE00000000000003FC0000000000000 3FC00000000000007FC00000000000007FC00000000000007F80000000000000FFC00000 000000FFFFFFE000000000FFFFFFE000000000FFFFFFE0000000003C3E7BBD3B>I<0001 FFFFFF01FFFFFF0003FFFFFF03FFFFFF0003FFFFFF03FFFFFF000003FF000003FF000000 03FE000003FE00000003FC000003FC00000003FC000003FC00000003FC000007FC000000 07FC000007FC00000007F8000007F800000007F8000007F800000007F800000FF8000000 0FF800000FF80000000FF000000FF00000000FF000000FF00000000FF000001FF0000000 1FF000001FF00000001FE000001FE00000001FE000001FE00000001FE000003FE0000000 3FE000003FE00000003FC000003FC00000003FC000003FC00000003FC000007FC0000000 7FC000007FC00000007F8000007F800000007F8000007F800000007F800000FF80000000 FFFFFFFFFF80000000FFFFFFFFFF00000000FFFFFFFFFF00000000FF000001FF00000001 FF000001FF00000001FE000001FE00000001FE000001FE00000001FE000003FE00000003 FE000003FE00000003FC000003FC00000003FC000003FC00000003FC000007FC00000007 FC000007FC00000007F8000007F800000007F8000007F800000007F800000FF80000000F F800000FF80000000FF000000FF00000000FF000000FF00000000FF000001FF00000001F F000001FF00000001FE000001FE00000001FE000001FE00000001FE000003FE00000003F E000003FE00000003FC000003FC00000003FC000003FC00000007FC000007FC00000007F C000007FC00000007F8000007F80000000FFC00000FFC00000FFFFFF80FFFFFF8000FFFF FF80FFFFFF8000FFFFFF80FFFFFF8000483E7BBD44>72 D<0001FFFFFF0003FFFFFF0003 FFFFFF000003FF00000003FE00000003FC00000003FC00000003FC00000007FC00000007 F800000007F800000007F80000000FF80000000FF00000000FF00000000FF00000001FF0 0000001FE00000001FE00000001FE00000003FE00000003FC00000003FC00000003FC000 00007FC00000007F800000007F800000007F80000000FF80000000FF00000000FF000000 00FF00000001FF00000001FE00000001FE00000001FE00000003FE00000003FC00000003 FC00000003FC00000007FC00000007F800000007F800000007F80000000FF80000000FF0 0000000FF00000000FF00000001FF00000001FE00000001FE00000001FE00000003FE000 00003FC00000003FC00000007FC00000007FC00000007F80000000FFC00000FFFFFF8000 FFFFFF8000FFFFFF8000283E7BBD23>I<0001FFFE00000FFFFF0003FFFF00001FFFFF00 03FFFF00001FFFFF000001FF800000FFC0000003FF8000003F00000003FF8000003E0000 0003FFC000001C00000003FFC000003C00000007BFC000003C000000073FE00000380000 00071FE0000038000000071FE00000780000000F1FF00000780000000E0FF00000700000 000E0FF80000700000000E0FF80000F00000001E07F80000F00000001C07FC0000E00000 001C07FC0000E00000001C03FC0001E00000003C03FE0001E00000003801FE0001C00000 003801FE0001C00000003801FF0003C00000007800FF0003C00000007000FF8003800000 007000FF80038000000070007F800780000000F0007FC00780000000E0003FC007000000 00E0003FC00700000000E0003FE00F00000001E0001FE00F00000001C0001FF00E000000 01C0001FF00E00000001C0000FF01E00000003C0000FF81E0000000380000FF81C000000 03800007F81C00000003800007FC3C00000007800003FC3C00000007000003FC38000000 07000003FE3800000007000001FE780000000F000001FF780000000E000001FF70000000 0E000000FF700000000E000000FFF00000001E000000FFF00000001C0000007FE0000000 1C0000007FE00000001C0000003FE00000003C0000003FE0000000380000003FC0000000 380000001FC0000000780000001FC0000000F80000001FC0000001FC0000000F80000007 FE0000000F800000FFFFF0000007800000FFFFF0000007800000FFFFF000000700000048 3E7BBD44>78 D<00000000FFC0000000000007FFF800000000003F80FE0000000000FC00 3F0000000003F0000F8000000007E00007C00000001F800007E00000003F000003F00000 007E000001F8000000FC000001FC000001F8000000FC000003F0000000FE000007F00000 00FE00000FE0000000FE00001FC00000007F00003FC00000007F00003F800000007F0000 7F000000007F0000FF000000007F8000FE000000007F8001FE000000007F8003FC000000 007F8003FC000000007F8007FC000000007F8007F8000000007F800FF800000000FF800F F800000000FF800FF000000000FF801FF000000000FF801FF000000000FF003FE0000000 01FF003FE000000001FF003FE000000001FF003FE000000001FF007FC000000003FE007F C000000003FE007FC000000003FE007FC000000007FC007FC000000007FC007F80000000 07FC007F800000000FF800FF800000000FF800FF800000000FF000FF800000001FF000FF 800000001FE0007F800000003FE0007F800000003FC0007F800000007F80007F80000000 7F80007F80000000FF00007F80000000FE00003F80000001FE00003F80000003FC00003F C0000003F800001FC0000007F000001FC000000FE000000FE000001FC000000FE000003F 80000007F000007F00000003F00000FC00000001F80001F800000000FC0007E000000000 7F001F80000000001FC07E000000000007FFF8000000000000FF8000000000394273BF46 >I<0001FFFFFFFF80000001FFFFFFFFF0000001FFFFFFFFFC00000003FE0003FE000000 03FE0000FF00000003FC00007F80000003FC00003FC0000007FC00001FC0000007FC0000 1FE0000007F800001FE0000007F800001FE000000FF800001FF000000FF800001FF00000 0FF000001FF000000FF000001FF000001FF000001FF000001FF000003FE000001FE00000 3FE000001FE000003FE000003FE000003FC000003FE000007FC000003FC000007F800000 3FC000007F8000007FC00000FF0000007FC00000FE0000007F800001FC0000007F800003 F8000000FF800007F0000000FF80000FE0000000FF00003FC0000000FF0001FF00000001 FFFFFFFC00000001FFFFFFE000000001FE00000000000001FE00000000000003FE000000 00000003FE00000000000003FC00000000000003FC00000000000007FC00000000000007 FC00000000000007F800000000000007F80000000000000FF80000000000000FF8000000 0000000FF00000000000000FF00000000000001FF00000000000001FF00000000000001F E00000000000001FE00000000000003FE00000000000003FE00000000000003FC0000000 0000003FC00000000000007FC00000000000007FC00000000000007F80000000000000FF C00000000000FFFFFF8000000000FFFFFF8000000000FFFFFF80000000003C3E7BBD3E> I<0001FFFFFFFC00000001FFFFFFFF80000001FFFFFFFFF000000003FE000FF800000003 FE0003FE00000003FC0000FF00000003FC00007F00000003FC00007F80000007FC00003F C0000007F800003FC0000007F800003FC0000007F800003FE000000FF800003FE000000F F000003FE000000FF000003FE000000FF000003FE000001FF000007FC000001FE000007F C000001FE000007FC000001FE00000FF8000003FE00000FF8000003FC00000FF0000003F C00001FE0000003FC00001FC0000007FC00003F80000007F800007F00000007F80000FE0 0000007F80003F80000000FF8000FE00000000FF0007F800000000FFFFFFE000000000FF FFFF8000000001FF000FE000000001FE0007F000000001FE0003F800000001FE0001FC00 000003FE0001FE00000003FC0000FE00000003FC0000FF00000003FC0000FF00000007FC 0000FF00000007F80000FF00000007F80000FF00000007F80001FF0000000FF80001FF00 00000FF00001FF0000000FF00001FE0000000FF00003FE0000001FF00003FE0000001FE0 0003FE0000001FE00003FE0000001FE00003FE0000003FE00007FE0040003FC00007FE00 E0003FC00007FC00E0007FC00007FC01E0007FC00007FC01C0007F800003FC03C000FFC0 0003FC0380FFFFFF8001FC0780FFFFFF8001FE0F00FFFFFF80007E1E0000000000003FFC 00000000000007F0003B407BBD42>82 D<0000000FF001C00000007FFE01C0000001FFFF 0380000007F80FC78000000FC003EF8000001F8001FF8000003F0000FF0000007E00007F 000000FC00007F000001F800007F000003F000003E000003F000003E000007E000003E00 0007E000003E00000FE000003C00000FC000003C00000FC000003C00000FC000003C0000 1FC000003800001FC000003800001FC000003800001FE000003800001FE000000000001F F000000000001FF000000000001FFC00000000000FFF00000000000FFFF0000000000FFF FE0000000007FFFFC000000003FFFFF000000001FFFFFC00000000FFFFFE000000003FFF FE000000000FFFFF0000000001FFFF80000000001FFF800000000003FF800000000000FF C000000000007FC000000000003FC000000000003FC000000000001FC000000000001FC0 00070000001FC0000F0000001FC0000F0000001F80000E0000001F80000E0000001F8000 1E0000003F80001E0000003F00001E0000003F00001E0000003E00003E0000007E00003E 0000007C00003F000000FC00003F000001F800007F800001F000007F800003E000007FC0 0007C000007DE0001F800000F8F8003F000000F87F00FE000000F03FFFF8000000E00FFF E0000000C000FF0000000032427ABF33>I<01FFFFFFFFFFFF01FFFFFFFFFFFF03FFFFFF FFFFFF03FE001FF001FF03F8001FE0007F07E0001FE0003E07C0003FE0001E0780003FE0 001E0F00003FC0001E0F00003FC0001E1E00007FC0001E1E00007FC0001E1C00007F8000 1C3C00007F80001C380000FF80001C380000FF80001C780000FF00001C700000FF00001C 700001FF00003CF00001FF000038E00001FE000038000001FE000000000003FE00000000 0003FE000000000003FC000000000003FC000000000007FC000000000007FC0000000000 07F8000000000007F800000000000FF800000000000FF800000000000FF000000000000F F000000000001FF000000000001FF000000000001FE000000000001FE000000000003FE0 00000000003FE000000000003FC000000000003FC000000000007FC000000000007FC000 000000007F8000000000007F800000000000FF800000000000FF800000000000FF000000 000000FF000000000001FF000000000001FF000000000001FE000000000001FE00000000 0003FE000000000003FE000000000003FC00000000000FFE000000003FFFFFFF8000007F FFFFFF8000007FFFFFFF800000383D71BC41>I<0000FFFFFF003FFFFC0000FFFFFF007F FFFC0000FFFFFE007FFFFC000001FFE0000FFF00000000FFC00007F800000000FF800003 F000000000FF800003C0000000007FC0000780000000007FC0000700000000003FC0000E 00000000003FE0001C00000000003FE0003C00000000001FE0007800000000001FF000F0 00000000001FF001E000000000000FF001C000000000000FF8038000000000000FF80700 000000000007F80E00000000000007FC1E00000000000007FC3C00000000000003FC7800 000000000003FE7000000000000003FEE000000000000001FFC000000000000001FF8000 000000000001FF8000000000000000FF0000000000000000FF8000000000000000FF8000 0000000000007FC0000000000000007FC000000000000000FFC000000000000001FFE000 000000000003FFE0000000000000079FE0000000000000071FF00000000000000E1FF000 00000000001C0FF0000000000000380FF8000000000000780FF8000000000000F007F800 0000000001E007FC000000000001C007FC0000000000038003FC0000000000070003FE00 000000000E0003FE00000000001E0001FE00000000003C0001FF0000000000780001FF00 00000000700000FF0000000000E00000FF8000000001C00000FF80000000038000007F80 000000078000007FC00000000F0000007FC00000003F0000003FE00000007F8000007FE0 000003FFC00001FFF00000FFFFF8001FFFFFE000FFFFF8001FFFFFE000FFFFF8001FFFFF C000463E7CBD44>88 D<00007E00000001FF80000007C1C380001F80EFC0003F00FFC000 7E007FC000FC007F8001F8003F8003F0003F8003F0003F8007E0003F000FE0003F000FC0 003F001FC0007F001FC0007E003F80007E003F80007E003F8000FE007F8000FC007F0000 FC007F0000FC007F0001FC00FF0001F800FE0001F800FE0001F800FE0003F800FE0003F0 38FC0003F038FC0003F038FC0007F038FC0007E078FC000FE0707C000FE0707C001FE0F0 7E003FE0E03E007FE0E03E00F3E1E01F01E3E1C00F8781E38003FF00FF0000FC003E0025 2977A72E>97 D<001FC0000FFFC0000FFF80000FFF8000003F8000003F8000003F000000 3F0000007F0000007F0000007E0000007E000000FE000000FE000000FC000000FC000001 FC000001FC000001F8000001F8000003F8000003F8000003F0000003F07E0007F1FF8007 F783E007EF01F007FE01F00FF800F80FF800F80FF000FC0FE0007C1FC0007C1FC0007E1F 80007E1F8000FE3F8000FE3F8000FE3F0000FE3F0000FE7F0001FE7F0001FC7E0001FC7E 0001FC7E0003FCFE0003F8FC0003F8FC0003F8FC0007F0FC0007F0FC0007E0F8000FE0F8 000FC0F8001FC0F8001F8078003F007C003F007C007E003C00FC003E01F8001E03E0000F 07C00007FF000001F800001F4076BE2A>I<00001FE0000000FFF8000003F03E000007C0 0F00001F800700003F000780007E001F8000FC007F8001F8007F8003F0007F8007F0007F 0007E0007F000FE0007E001FC00000001FC00000003F800000003F800000003F80000000 7F800000007F000000007F000000007F00000000FF00000000FE00000000FE00000000FE 00000000FE00000000FE00000000FE00000000FC000003007E000007007E00000F007E00 001E003E00003C003E000078001F0000F0001F0003E0000F800F800003E07E000001FFF8 0000003FC00000212977A72A>I<000000003F800000001FFF800000001FFF000000001F FF00000000007F00000000007F00000000007E00000000007E0000000000FE0000000000 FE0000000000FC0000000000FC0000000001FC0000000001FC0000000001F80000000001 F80000000003F80000000003F80000000003F00000000003F00000000007F00000000007 F00000000007E00000007E07E0000001FF8FE0000007C1CFE000001F80EFC000003F00FF C000007E007FC00000FC007FC00001F8003F800003F0003F800003F0003F800007E0003F 80000FE0003F00000FC0003F00001FC0007F00001FC0007F00003F80007E00003F80007E 00003F8000FE00007F8000FE00007F0000FC00007F0000FC00007F0001FC0000FF0001FC 0000FE0001F80000FE0001F80000FE0003F80000FE0003F83800FC0003F03800FC0003F0 3800FC0007F03800FC0007F07800FC000FE070007C000FE070007C001FE0F0007E003FE0 E0003E007FE0E0003E00F3E1E0001F01E3E1C0000F8781E3800003FF00FF000000FC003E 0000294077BE2E>I<00003F800001FFE00007E0F8001F803C003E003C00FC001E01F800 1E03F0001E07F0001E0FE0003E0FC0003C1FC0003C3F80007C3F8000F83F8003F07F000F E07F00FF80FFFFFC00FFFFC000FE000000FE000000FE000000FE000000FC000000FC0000 00FC000000FC000000FC000000FC000000FC000006FC00000EFC00001E7C00003C7C0000 783E0000F03E0001E01F0007C00F801F0007C0FC0001FFF000007F80001F2976A72A>I< 000000007C0000000001FF0000000007C7800000000F83C00000001F87C00000001F1FC0 0000003F3FC00000003F3FC00000007E3FC00000007E3FC00000007E3F800000007E0E00 000000FC0000000000FC0000000000FC0000000000FC0000000001FC0000000001F80000 000001F80000000001F80000000001F80000000003F80000000003F00000000003F00000 000003F000000003FFFFF8000003FFFFF8000003FFFFF800000007E00000000007E00000 000007E0000000000FE0000000000FC0000000000FC0000000000FC0000000000FC00000 00000FC0000000001FC0000000001F80000000001F80000000001F80000000001F800000 00003F80000000003F00000000003F00000000003F00000000003F00000000007F000000 00007E00000000007E00000000007E00000000007E0000000000FE0000000000FC000000 0000FC0000000000FC0000000000FC0000000001FC0000000001F80000000001F8000000 0001F80000000001F80000000003F00000000003F00000000003F00000000003F0000000 0007E00000000007E00000000007E00000000007E0000000000FC00000001E0FC0000000 7F0FC00000007F0F80000000FF0F80000000FF1F00000000FF1F00000000FE1E00000000 F83C00000000703C000000007878000000003FE0000000000F80000000002A5383BF1C> I<000003F00000000FFC0000003E0E1C0000FC077E0001F003FE0003F003FE0007E001FE 000FC001FC001F8001FC001F8001FC003F0001FC007F0001F8007E0001F800FE0003F800 FE0003F801FC0003F001FC0003F001FC0007F003FC0007F003F80007E003F80007E003F8 000FE007F8000FE007F0000FC007F0000FC007F0001FC007F0001FC007F0001F8007E000 1F8007E0003F8003E0003F8003E0007F0003F000FF0003F000FF0001F001FF0000F003FE 0000F80F7E00007C1EFE00001FF8FE000007E0FC00000000FC00000001FC00000001FC00 000001F800000001F800000003F800000003F800000003F0001C0007F0007F0007E000FF 000FE000FF000FC000FF001F8000FF003F0000FE007E0000F800FC00007C03F000001FFF C0000003FE000000273B7CA72A>I<0001FC000000FFFC000000FFF8000000FFF8000000 03F800000003F800000003F000000003F000000007F000000007F000000007E000000007 E00000000FE00000000FE00000000FC00000000FC00000001FC00000001FC00000001F80 0000001F800000003F800000003F800000003F000000003F03F800007F0FFE00007F3E0F 80007E780FC0007EE007C000FFC007E000FF8007E000FF0007E000FF0007E001FE0007E0 01FC0007E001FC0007E001F80007E003F8000FE003F8000FC003F0000FC003F0000FC007 F0001FC007F0001F8007E0001F8007E0001F800FE0003F800FE0003F000FC0003F000FC0 007F001FC0007E001FC000FE071F8000FC071F8000FC073F8001FC0F3F8001F80E3F0001 F80E3F0001F81E7F0001F01C7F0001F01C7E0001F0387E0001F038FE0001F070FE0000F0 E0FC00007FC03800001F0028407ABE2E>I<0000780001FC0001FC0003FC0003FC0003FC 0003F80000E0000000000000000000000000000000000000000000000000000000000000 000000000000000000007C0001FF00038F800707800E07C01E07C01C07C03C0FC0380FC0 380FC0781FC0701F80701F80F03F80F03F00003F00007F00007E0000FE0000FC0000FC00 01FC0001F80001F80003F80003F00003F03807F03807E0380FE0780FC0700FC0700FC0F0 0F80E00F80E00F81C00F83C00F838007870003FE0000F800163E79BC1C>I<0001FC0000 00FFFC000000FFF8000000FFF800000003F800000003F800000003F000000003F0000000 07F000000007F000000007E000000007E00000000FE00000000FE00000000FC00000000F C00000001FC00000001FC00000001F800000001F800000003F800000003F800000003F00 0000003F0003E0007F000FF8007F003C3C007E00707C007E00E1FC00FE01C1FC00FE0383 FC00FC0703FC00FC0E03FC01FC1C03F801FC3800E001F870000001F860000003F8E00000 03F9C0000003F780000003FE00000007FE00000007FFE0000007E7F8000007E0FE00000F E07F00000FE03F80000FC01F80000FC00FC0001FC00FC0001FC00FC0701F800FC0701F80 0FC0703F800FC0F03F801FC0E03F001F80E03F001F80E07F001F81E07F001F81C07E000F 83C07E000F8380FE000F8780FE00078F00FC0003FE00380000F80026407ABE2A>107 D<0007F003FFF003FFE003FFE0000FE0000FE0000FC0000FC0001FC0001FC0001F80001F 80003F80003F80003F00003F00007F00007F00007E00007E0000FE0000FE0000FC0000FC 0001FC0001FC0001F80001F80003F80003F80003F00003F00007F00007F00007E00007E0 000FE0000FE0000FC0000FC0001FC0001FC0001F80001F80003F80003F80003F00003F00 007F00007F07007E07007E0700FE0F00FE0E00FC0E00FC0E00FC1E00FC1C00FC1C007C38 007C78003C70001FE000078000144079BE17>I<01F0003F80007F000007FC01FFE003FF C0000F3E07C1F80F83F0000E1F0F00FC1E01F8001E1F1C007C3800F8001C1F38007E7000 FC003C1FF0007EE000FC00381FF0007FE000FC00381FE0007FC000FC00783FC0007F8000 FC00703FC0007F8000FC00703F80007F0000FC00703F00007E0000FC00F03F0000FE0001 FC00F07F0000FC0001F800007E0000FC0001F800007E0000FC0001F800007E0001FC0003 F80000FE0001FC0003F00000FC0001F80003F00000FC0001F80003F00000FC0003F80007 F00001FC0003F80007E00001F80003F00007E00001F80003F0000FE00001F80007F0000F C00003F80007F0001FC0E003F00007E0001F80E003F00007E0001F80E003F0000FE0003F 81E007F0000FE0003F01C007E0000FC0003F01C007E0000FC0003F01C007E0001FC0003E 03800FE0001FC0003E03800FC0001F80003E07000FC0001F80003E07000FC0003F80003E 0E001FC0003F80001E1C001F80003F00000FF8000700000E000003E000432979A74A>I< 01F0003F800007FC01FFE0000F3E07C1F8000E1F0F00FC001E1F1C007C001C1F38007E00 3C1FF0007E00381FF0007E00381FE0007E00783FC0007E00703FC0007E00703F80007E00 703F00007E00F03F0000FE00F07F0000FC00007E0000FC00007E0000FC00007E0001FC00 00FE0001F80000FC0001F80000FC0001F80000FC0003F80001FC0003F00001F80003F000 01F80007F00001F80007E00003F8000FE07003F0000FC07003F0000FC07003F0001FC0F0 07F0001F80E007E0001F80E007E0001F81E007E0001F01C00FE0001F01C00FC0001F0380 0FC0001F03800FC0001F07001FC0000F0E001F800007FC0007000001F0002C2979A733> I<00001FC0000000FFF8000003F07C00000FC01F00001F801F00003F000F80007E000FC0 00FC0007C001F80007E003F00007E007F00007E007E00007E00FE00007F01FC00007F01F C00007F03F800007F03F800007F03F80000FE07F80000FE07F00000FE07F00000FE07F00 001FE0FF00001FC0FE00001FC0FE00001FC0FE00003F80FE00003F80FE00007F00FE0000 7F00FC00007E007C0000FC007E0001FC007E0001F8007E0003F0003E0007E0001F000FC0 001F001F80000F803E000007C0FC000001FFF00000003F800000242977A72E>I<0003E0 01F800000FF807FE00001E7C1E0F80001C3E3C07C0003C3E7807C000383EE003E000783F E003E000703FC003F000703F8001F000F07F0001F000E07F0001F800E07E0001F800E07E 0003F801E0FE0003F801E0FE0003F80000FC0003F80000FC0003F80001FC0007F80001FC 0007F00001F80007F00001F80007F00003F8000FF00003F8000FE00003F0000FE00003F0 000FE00007F0001FC00007F0001FC00007E0001F800007E0003F80000FE0003F00000FE0 007F00000FE0007E00000FE000FC00001FE000FC00001FE001F800001FF003F000001FF0 07E000003FB80F8000003F9C1F0000003F0FFC0000003F03E00000007F00000000007F00 000000007E00000000007E0000000000FE0000000000FE0000000000FC0000000000FC00 00000001FC0000000001FC0000000001F80000000001F80000000003F80000000003F800 0000007FFFE0000000FFFFE0000000FFFFE00000002D3A80A72E>I<00007E00600001FF 81E00007C1C3E0001F80E7C0003F00F7C0007E007FC000FC007FC001F8003F8003F0003F 8003F0003F8007E0003F800FE0003F000FC0003F001FC0003F001FC0007F003F80007E00 3F80007E003F80007E007F8000FE007F0000FC007F0000FC007F0000FC00FF0001FC00FE 0001F800FE0001F800FE0001F800FE0003F800FC0003F000FC0003F000FC0003F000FC00 07F000FC000FE0007C000FE0007C001FE0007E003FE0003E007FC0003E00FFC0001F01EF C0000F879FC00003FF1F800000FC1F800000001F800000003F800000003F000000003F00 0000003F000000007F000000007E000000007E000000007E00000000FE00000000FC0000 0000FC00000001FC00000003FC000000FFFFF00001FFFFF00001FFFFF000233A77A72A> I<01F000FC0007FC07FF800F3E0F03C00E1F1C03E01E1F380FE01C1F700FE03C1FE01FE0 381FE01FE0381FC01FE0783FC01FC0703F800700703F800000703F000000F03F000000F0 7F000000007E000000007E000000007E00000000FE00000000FC00000000FC00000000FC 00000001FC00000001F800000001F800000001F800000003F800000003F000000003F000 000003F000000007F000000007E000000007E000000007E00000000FE00000000FC00000 000FC00000000FC00000001FC00000001F800000000700000000232979A726>I<00007F 800001FFE00007C0F8001F003C003E001C003C001E007C003E00F8007E00F800FE00F800 FE01F800FC01F800FC01F8007001FC000001FE000001FFC00001FFFC0000FFFF0000FFFF 80007FFFC0003FFFE0000FFFF00000FFF000000FF0000007F0000003F00C0003F03F0003 F07F8001F07F8003F0FF0003E0FF0003E0FF0003E0FC0007C0F0000F8070000F8078001F 003C003C001F01F80007FFE00000FF00001F297AA725>I<0001C0000003F0000007F000 0007F0000007E0000007E000000FE000000FE000000FC000000FC000001FC000001FC000 001F8000001F8000003F8000003F8000003F0000003F00007FFFFF80FFFFFF80FFFFFF00 007E000000FE000000FE000000FC000000FC000001FC000001FC000001F8000001F80000 03F8000003F8000003F0000003F0000007F0000007F0000007E0000007E000000FE00000 0FE000000FC000000FC000001FC000001FC01C001F801C001F801C003F803C003F803800 3F0078003F0070003F00F0003F00E0003F01C0001F03C0001F0780000F0F000007FC0000 01F00000193A78B81E>I<007C0000000001FF00001C00038F80007E00070780007E000E 07C0007E001E07C000FE001C07C000FE003C0FC000FC00380FC000FC00380FC001FC0078 1FC001FC00701F8001F800701F8001F800F03F8003F800F03F0003F800003F0003F00000 7F0003F000007E0007F000007E0007F00000FE0007E00000FC0007E00000FC000FE00001 FC000FE00001F8000FC00001F8000FC00001F8001FC00003F8001FC1C003F0001F81C003 F0001F81C003F0003F81C003F0003F83C003F0003F038003F0003F038003F0007F078001 F000FF070001F001FF070001F801DF0F0000F8079F0E00007C0F0F1C00001FFC07F80000 07F001F0002A2979A731>I<007C000000007001FF00007001FC038F8001F801FC070780 01F801FC0E07C001F801FE1E07C003F801FE1C07C003F000FE3C0FC003F000FE380FC003 F0007C380FC007F0007C781FC007E0003C701F8007E0003C701F8007E0003CF03F800FE0 003CF03F000FC00038003F000FC00038007F000FC00038007E001FC00078007E001F8000 7000FE001F80007000FC001F80007000FC003F8000F001FC003F0000E001F8003F0000E0 01F8003F0000E001F8003F0001E003F8007F0001C003F0007E0001C003F0007E0003C003 F0007E00038003F0007E00038003F0007E00070003F000FE00070003F000FE000E0001F0 01FE001E0001F801FF001C0000F8039F00380000FC079F807000003E0F07C1E000001FFC 03FFC0000003F0007F0000372979A73C>119 D<007C00000001FF000038038F8000FC07 078000FC0E07C000FC1E07C001FC1C07C001F83C0FC001F8380FC001F8380FC003F8781F C003F0701F8003F0701F8003F0F03F8007F0F03F0007E0003F0007E0007F0007E0007E00 0FE0007E000FC000FE000FC000FC000FC000FC001FC001FC001FC001F8001F8001F8001F 8001F8003F8003F8003F0003F0003F0003F0003F0003F0007F0003F0007E0003F0007E00 03F0007E0003F000FE0003F000FC0001F001FC0001F803FC0000F807FC00007C1FF80000 3FF9F8000007E1F800000003F800000003F000000003F000000007F0000E0007E0003F80 07E0007F800FC0007F800FC0007F801F8000FF001F0000FF003E00007C007E00007000FC 00007801F000003803E000001E0FC000000FFF00000003F8000000263B79A72C>121 D E /Fj 19 121 df<000003800000000003800000000003800000000003800000000003 800000000003800000000003800000000003800000000003800000000003800000000003 800000000003800000000003800000000003800000000003800000000003800000000003 800000000003800000000003800000000003800000000003800000000003800000FFFFFF FFFFFCFFFFFFFFFFFCFFFFFFFFFFFC000003800000000003800000000003800000000003 800000000003800000000003800000000003800000000003800000000003800000000003 800000000003800000000003800000000003800000000003800000000003800000000003 800000000003800000000003800000000003800000000003800000000003800000000003 8000002E2F7CA737>43 D<003FC00000FFF00003E07C0007C03E000F801F000F000F001E 0007801E0007803E0007C03E0007C07C0003E07C0003E07C0003E07C0003E07C0003E0FC 0003F0FC0003F0FC0003F0FC0003F0FC0003F0FC0003F0FC0003F0FC0003F0FC0003F0FC 0003F0FC0003F0FC0003F0FC0003F0FC0003F0FC0003F0FC0003F07C0003E07C0003E07C 0003E07E0007E03E0007C03E0007C03E0007C01F000F800F000F000F801F0007C03E0003 F0FC0000FFF000003FC0001C2D7DAB23>48 D<000C00003C00007C0003FC00FFFC00FC7C 00007C00007C00007C00007C00007C00007C00007C00007C00007C00007C00007C00007C 00007C00007C00007C00007C00007C00007C00007C00007C00007C00007C00007C00007C 00007C00007C00007C00007C00007C00007C00007C00007C00007C00007C00007C0000FE 007FFFFE7FFFFE172C7AAB23>I<007F800001FFF0000780FC000E003F001C001F803800 0FC070000FC0600007E0F00007E0FC0007F0FE0007F0FE0003F0FE0003F0FE0003F07C00 07F0000007F0000007F0000007E000000FE000000FC000001FC000001F8000003F000000 7E0000007C000000F8000001F0000003E0000007C000000F8000001E0000003C00000078 000000F0003000E0003001C0003003800060070000600E0000E01FFFFFE03FFFFFE07FFF FFC0FFFFFFC0FFFFFFC01C2C7DAB23>I<00FF000007FFC0000F01F0001C00F8003F007C 003F003E003F003E003F003F001E001F0000001F0000001F0000001F0000001F000007FF 00007FFF0001FE1F0007F01F001FC01F003F801F007F001F007E001F00FE001F06FC001F 06FC001F06FC001F06FC003F06FE003F067E007F067F00EF8C1F83C7FC0FFF03F801FC01 E01F207D9E23>97 D<07C0000000FFC0000000FFC00000000FC000000007C000000007C0 00000007C000000007C000000007C000000007C000000007C000000007C000000007C000 000007C000000007C000000007C000000007C0FE000007C7FF800007CF03E00007DC01F0 0007F8007C0007F0007E0007E0003E0007C0001F0007C0001F8007C0001F8007C0000F80 07C0000FC007C0000FC007C0000FC007C0000FC007C0000FC007C0000FC007C0000FC007 C0000FC007C0000FC007C0001F8007C0001F8007C0001F0007C0003F0007E0003E0007F0 007C0007B000F80007BC01F000070E07E0000607FF80000001FC0000222F7EAD27>I<00 0000F80000001FF80000001FF800000001F800000000F800000000F800000000F8000000 00F800000000F800000000F800000000F800000000F800000000F800000000F800000000 F800000000F800000FE0F800007FF8F80001F81EF80003E007F80007C003F8000F8001F8 001F0001F8003F0000F8003E0000F8007E0000F8007E0000F800FC0000F800FC0000F800 FC0000F800FC0000F800FC0000F800FC0000F800FC0000F800FC0000F800FC0000F8007C 0000F8007E0000F8007E0000F8003E0001F8001F0001F8001F8003F8000F8007F80003E0 0EFC0001F03CFFC0007FF0FFC0001FC0F800222F7EAD27>100 D<001F800000FFF00003 E0780007C03E000F801E001F001F001F000F803E000F807E0007807E0007C07C0007C0FC 0007C0FC0007C0FC0007C0FFFFFFC0FFFFFFC0FC000000FC000000FC000000FC000000FC 0000007E0000007E0000003E0000C03F0000C01F0001C00F8003800FC0030003E00F0001 F03C00007FF800001FC0001A207E9E1F>I<003F00F800FFC3FE03E1FF1E07807C1E0F80 7C0C1F003E001F003E003E001F003E001F003E001F003E001F003E001F003E001F003E00 1F001F003E001F003E000F807C00078078000FE1F0000CFFC0001C3F00001C0000001C00 00001C0000001E0000001F0000000FFFF8000FFFFF0007FFFFC00FFFFFF01E0007F83C00 00F87800007CF800007CF000003CF000003CF000003CF000003CF800007C7C0000F83E00 01F01F0003E007E01F8001FFFE00003FF0001F2D7E9D23>103 D<07800FC01FE01FE01F E01FE00FC007800000000000000000000000000000000007C0FFC0FFC00FC007C007C007 C007C007C007C007C007C007C007C007C007C007C007C007C007C007C007C007C007C007 C007C007C00FE0FFFCFFFC0E2E7EAD14>105 D<07C0000000FFC0000000FFC00000000F C000000007C000000007C000000007C000000007C000000007C000000007C000000007C0 00000007C000000007C000000007C000000007C000000007C000000007C000000007C01F FE0007C01FFE0007C00FF00007C007C00007C007800007C00E000007C01C000007C03800 0007C070000007C0E0000007C3C0000007C7C0000007CFE0000007DFF0000007F9F00000 07F0F8000007E0FC000007C07E000007C03E000007C01F000007C01F800007C00FC00007 C007C00007C003E00007C003F00007C001F8000FE003FC00FFFE07FF80FFFE07FF80212E 7EAD25>107 D<07C07F0007F000FFC3FFC03FFC00FFC783F0783F000FCE01F8E01F8007 DC00F9C00F8007F800FF800FC007F0007F0007C007E0007E0007C007E0007E0007C007C0 007C0007C007C0007C0007C007C0007C0007C007C0007C0007C007C0007C0007C007C000 7C0007C007C0007C0007C007C0007C0007C007C0007C0007C007C0007C0007C007C0007C 0007C007C0007C0007C007C0007C0007C007C0007C0007C007C0007C0007C007C0007C00 07C007C0007C0007C007C0007C0007C00FE000FE000FE0FFFE0FFFE0FFFEFFFE0FFFE0FF FE371E7E9D3C>109 D<07C0FE0000FFC3FF8000FFC703E0000FDE01F00007F801F00007 F000F80007F000F80007E000F80007E000F80007C000F80007C000F80007C000F80007C0 00F80007C000F80007C000F80007C000F80007C000F80007C000F80007C000F80007C000 F80007C000F80007C000F80007C000F80007C000F80007C000F80007C000F80007C000F8 000FE001FC00FFFE1FFFC0FFFE1FFFC0221E7E9D27>I<001FE000007FF80001F03E0003 C00F00078007800F0003C01F0003E03E0001F03E0001F07C0000F87C0000F87C0000F8FC 0000FCFC0000FCFC0000FCFC0000FCFC0000FCFC0000FCFC0000FCFC0000FCFC0000FC7C 0000F87C0000F83E0001F03E0001F01F0003E01F0003E00F8007C007C00F8001F03E0000 7FF800001FE0001E207E9E23>I<07C0FE0000FFC7FF8000FFCF03E0000FDC01F00007F8 00FC0007F0007E0007E0003E0007C0003F0007C0001F8007C0001F8007C0001F8007C000 0FC007C0000FC007C0000FC007C0000FC007C0000FC007C0000FC007C0000FC007C0000F C007C0001FC007C0001F8007C0001F8007C0003F0007C0003F0007E0007E0007F0007C00 07F000F80007FC01F00007CE07E00007C7FF800007C1FC000007C000000007C000000007 C000000007C000000007C000000007C000000007C000000007C000000007C00000000FE0 000000FFFE000000FFFE000000222B7E9D27>I<0781F8FF87FEFF8E3F0F9C3F07B83F07 B03F07F01E07E00007E00007E00007E00007C00007C00007C00007C00007C00007C00007 C00007C00007C00007C00007C00007C00007C00007C00007C00007C0000FE000FFFF00FF FF00181E7E9D1C>114 D<01FE1807FFB81E01F83C00F8780078F00038F00038F00018F0 0018F80018FC0018FF00007FF0003FFF001FFFC00FFFF001FFF8001FFC0001FCC0007EC0 003EC0003EE0001EE0001EF0001EF0001EF8003CF8003CFC0078FF01F0E3FFC0C0FF0017 207E9E1C>I<00600000600000600000600000E00000E00000E00001E00003E00003E000 07E0001FE000FFFFF0FFFFF003E00003E00003E00003E00003E00003E00003E00003E000 03E00003E00003E00003E00003E00003E00003E00003E01803E01803E01803E01803E018 03E01803E01803E03801F03001F07000F860003FE0000F80152A7FA81B>I120 D E /Fk 17 117 df<000001C00000000FFF0000003FFFE0000079FFF00000E0 3FF00001C00FF000018007F000018001E0000380000000038000000003C000000001C000 000001E000000001E000000001F000000001F000000000F800000000FC00000000FC0000 00007E000000007F000000003F800000003F800000001FC00000001FE00000000FE00000 007FF0000001F7F8000007C7F800001F83FC00003E03FC00007C01FC0000F801FE0001F8 01FE0003F000FE0007E000FE0007E000FE000FC0007E001F80007E001F80007E003F8000 7E003F00007E003F00007E007F00007E007E00007E007E00007E007E00007E00FE00007C 00FC00007C00FC0000FC00FC0000FC00FC0000F800FC0001F800FC0001F800FC0001F000 7C0003F0007C0003E0007C0003E0003E0007C0003E000F80001F000F00000F001E000007 803C000003E078000000FFE00000003F80000024427CC028>14 D<0001C00000000003E0 0000E00007E00003F00007E00003F00007E00003F0000FE00007F0000FE00007F0000FC0 0007E0000FC00007E0001FC0000FE0001FC0000FE0001F80000FC0001F80000FC0003F80 001FC0003F80001FC0003F00001F80003F00001F80007F00003F80007F00003F80007E00 003F00007E00003F0000FE00007F0000FE00007F0000FC00007E0000FC00007E0001FC00 00FE0001FC0000FE0701F80000FC0701F80000FC0701F80001FC0703F80001FC0F03F800 03F80E03F80003F80E07F80007F81E07F8000FF81C07FC001FF81C07FC003CF8380FFE00 70F8380FFF81E07C700FC7FF803FE00FC1FE000F801FC0000000001FC0000000001F8000 0000001F80000000003F80000000003F80000000003F00000000003F00000000007F0000 0000007F00000000007E00000000007E0000000000FE0000000000FE0000000000FC0000 000000FC0000000000FC0000000000F80000000000700000000000303C7EA737>22 D<001FFFFFFFFE007FFFFFFFFF01FFFFFFFFFF03FFFFFFFFFF07FFFFFFFFFE0FC03801C0 001F003801C0003E003803C0003C0078038000780070038000F00070038000F000F00780 00E000F00780000000E00780000001E00700000001E00700000001E00F00000003C00F00 000003C00F00000003C00F00000007C00F00000007800F00000007800F0000000F801F00 00000F801F0000001F001F0000001F001F8000001F001F8000003E001F8000003E001F80 00007E001F8000007E001FC00000FC001FC00000FC000FC00001FC000FE00001F8000FE0 0003F8000FE00003F80007E00003F00007E00000E00003800030287DA634>25 D<00FE000000000003FF8000000070078FE0000000F00F07F0000001F00E07F8000001E0 0E03F8000003C00C03FC000007800001FC00000F000001FE00001E000000FE00003C0000 00FE0000780000007F0000F00000007F0001E00000003F8003E00000003F8003C0000000 3F8007800000001FC00F000000001FC01E000000001FC03C000000000FE078000000000F E0F0000000000FE1E00000000007E3C00000000007F7C00000000007F7800000000003FF 000000000003FE000000000003FC000000000003F8000000000001FC000000000001FC00 0000000003FC000000000007FC00000000000FFE00000000000FFE00000000001EFE0000 0000003C7F0000000000787F0000000000F07F0000000001E03F8000000003C03F800000 0007803F800000000F001FC00000000F001FC00000001E001FC00000003C000FE0000000 78000FE0000000F0000FF0000001E00007F0000003C00007F0000007800003F800000F00 0003F800001F000003FC03001E000001FC07803C000001FE070078000000FF0F00F00000 007F1E00600000001FFC000000000003F000343B7EA739>31 D<000000000000E0003000 000003F8007000000007FC00F000000007FC01E000000007FC01C000000007FC03C00000 0007FC038000000003FC078000000001FC0F0000000000FC0F00000000007C0E00000000 007C1E00000000007C1C00000000003C3C00001C0000383800007E0000383800007E0000 387800007E000078780000FE000070700000FC000070700000FC000070700000FC0000F0 700001F80000E0F00001F80001E0F00001F80001E0F00001F00003C0F00001F00003C0F0 0001E0000780F00003E0000F80F80007E0001F00F80007E0003E00FC001FF0007E007C00 3FF000FC007E007FF803F8007F83FFFE1FF0003FFFFCFFFFF0003FFFF8FFFFC0001FFFF0 7FFF80000FFFC07FFF000007FF001FFC000001FC0007E0000036297FA739>33 D<1E007F807F80FFC0FFC0FFC0FFC07F807F801E000A0A798919>58 D<1E007F80FF80FFC0FFC0FFE0FFE0FFE07FE01E60006000600060006000E000C000C000 C001C001800380030007000E001C001800380030000B1C798919>I<0000000180000000 03C000000007C000000007C000000007800000000F800000000F800000000F000000001F 000000001F000000001E000000003E000000003E000000003C000000007C000000007C00 0000007800000000F800000000F800000000F000000001F000000001F000000001E00000 0003E000000003E000000003C000000007C000000007C000000007800000000F80000000 0F800000001F000000001F000000001E000000003E000000003E000000003C000000007C 000000007C000000007800000000F800000000F800000000F000000001F000000001F000 000001E000000003E000000003E000000003C000000007C000000007C000000007800000 000F800000000F800000000F000000001F000000001F000000001E000000003E00000000 3E000000007C000000007C000000007800000000F800000000F800000000F000000001F0 00000001F000000001E000000003E000000003E000000003C000000007C000000007C000 000007800000000F800000000F800000000F000000001F000000001F000000001E000000 003E000000003E000000003C000000007C000000007C000000007800000000F800000000 F800000000F0000000006000000000225B7BC32D>61 D<0001FFFFFFFFFFFFC00001FFFF FFFFFFFFC00001FFFFFFFFFFFFC0000001FF000001FFC0000001FF0000003FC0000001FE 0000001FC0000001FE0000000FC0000001FE0000000F80000003FE0000000780000003FC 0000000780000003FC0000000780000003FC0000000780000007FC0000000780000007F8 0000000780000007F80000000700000007F8000000070000000FF8000000070000000FF0 000380070000000FF0000380070000000FF00007800F0000001FF00007000E0000001FE0 000700000000001FE0000F00000000001FE0000F00000000003FE0001E00000000003FC0 001E00000000003FC0003E00000000003FC001FE00000000007FFFFFFC00000000007FFF FFFC00000000007FFFFFFC00000000007F8001FC0000000000FF8000F80000000000FF00 00780000000000FF0000780000000000FF0000780000000001FF0000700000000001FE00 00700000000001FE000070001C000001FE0000F0003C000003FE0000E00038000003FC00 00E00078000003FC0000000070000003FC0000000070000007FC00000000F0000007F800 000000E0000007F800000001E0000007F800000001C000000FF800000003C000000FF000 0000078000000FF0000000078000000FF00000000F8000001FF00000001F0000001FE000 00003F0000001FE00000007E0000003FE0000000FE0000003FE0000001FC0000003FC000 000FFC0000007FC00000FFFC0000FFFFFFFFFFFFF80000FFFFFFFFFFFFF80000FFFFFFFF FFFFF00000423E7DBD43>69 D<0001FFFF800001FFFFF80001FFFF800001FFFFF00001FF FF800001FFFFF0000000FFC000000FFE00000001FFC0000003F000000001FFE0000003E0 00000001FFE0000001C000000001DFE0000003C000000003DFF0000003C0000000038FF0 00000380000000038FF800000380000000038FF8000007800000000787FC000007800000 000707FC000007000000000703FC000007000000000703FE00000F000000000F03FE0000 0F000000000E01FF00000E000000000E01FF00000E000000000E00FF00001E000000001E 00FF80001E000000001C007F80001C000000001C007FC0001C000000001C007FC0003C00 0000003C003FE0003C0000000038003FE000380000000038001FE000380000000038001F F000780000000078001FF000780000000070000FF800700000000070000FF80070000000 00700007F800F000000000F00007FC00F000000000E00003FC00E000000000E00003FE00 E000000000E00003FE01E000000001E00001FF01E000000001C00001FF01C000000001C0 0000FF01C000000001C00000FF83C000000003C00000FF83C0000000038000007FC38000 0000038000007FC380000000038000003FC780000000078000003FE78000000007000000 1FE700000000070000001FF700000000070000001FFF000000000F0000000FFF00000000 0E0000000FFE000000000E00000007FE000000000E00000007FE000000001E00000007FE 000000001C00000003FC000000001C00000003FC000000003C00000001FC000000007C00 000001FC00000000FE00000000F800000003FF00000000F8000000FFFFFC000000F80000 00FFFFFC00000078000000FFFFFC000000700000004D3E7DBD49>78 D<0001FFFFFFFF8000000001FFFFFFFFF800000001FFFFFFFFFF0000000001FF0001FF80 00000001FF00003FE000000001FE00000FF000000001FE000007F800000001FE000003FC 00000003FE000003FC00000003FC000001FE00000003FC000001FE00000003FC000001FE 00000007FC000001FF00000007F8000001FF00000007F8000001FF00000007F8000001FF 0000000FF8000003FE0000000FF0000003FE0000000FF0000003FE0000000FF0000007FC 0000001FF0000007FC0000001FE000000FF80000001FE000000FF00000001FE000001FE0 0000003FE000003FC00000003FC000007F800000003FC00000FE000000003FC00003FC00 0000007FC0000FF0000000007F8000FF80000000007FFFFFFC00000000007FFFFFF80000 000000FF8001FE0000000000FF00007F8000000000FF00001FC000000000FF00001FE000 000001FF00000FF000000001FE000007F000000001FE000007F000000001FE000007F800 000003FE000007F800000003FC000007F800000003FC000007F800000003FC00000FF800 000007FC00000FF800000007F800000FF800000007F800000FF000000007F800001FF000 00000FF800001FF00000000FF000001FF00000000FF000001FF00000000FF000001FF000 00001FF000003FF00100001FE000003FF00380001FE000003FE00380003FE000003FE007 80003FE000003FE00700003FC000001FE00F00007FE000001FE00E00FFFFFFE0000FF01E 00FFFFFFE00007F03C00FFFFFFE00003F87800000000000000FFE0000000000000003F80 0041407DBD45>82 D<0000000007F000000003FFF000000003FFE000000003FFE0000000 000FE0000000000FE0000000000FC0000000000FC0000000001FC0000000001FC0000000 001F80000000001F80000000003F80000000003F80000000003F00000000003F00000000 007F00000000007F00000000007E00000000007E0000000000FE0000000000FE00000000 00FC0000001F80FC000000FFE1FC000003F071FC00000FC039F800001F801DF800003F00 0FF800007E000FF80000FC000FF00001FC0007F00003F80007F00007F00007F00007F000 07E0000FE00007E0001FE0000FE0001FE0000FE0003FC0000FC0003FC0000FC0003FC000 1FC0007FC0001FC0007F80001F80007F80001F80007F80003F8000FF80003F8000FF0000 3F0000FF00003F0000FF00007F0000FF00007F0380FE00007E0380FE00007E0380FE0000 FE0380FE0000FE07807E0001FC07007E0003FC07007E0003FC0F003F0007FC0E003F000E FC0E001F801C7C1C000F80787C1C0007C1F03E380001FFC01FF000007F0007C0002C407D BE2F>100 D<000000003E0000000000FFC000000003E1E000000007C0F00000000F81F0 0000000F87F00000001F8FF00000001F0FF00000003F0FF00000003F0FF00000003F0FE0 0000007E03800000007E00000000007E00000000007E00000000007E0000000000FC0000 000000FC0000000000FC0000000000FC0000000000FC0000000001FC0000000001F80000 000001F80000000001F800000003FFFFFC000003FFFFFC000003FFFFFC00000003F00000 000003F00000000003F00000000007F00000000007E00000000007E00000000007E00000 000007E0000000000FE0000000000FC0000000000FC0000000000FC0000000000FC00000 00000FC0000000001FC0000000001F80000000001F80000000001F80000000001F800000 00003F80000000003F00000000003F00000000003F00000000003F00000000007F000000 00007E00000000007E00000000007E00000000007E0000000000FE0000000000FC000000 0000FC0000000000FC0000000000FC0000000001FC0000000001F80000000001F8000000 0001F80000000001F80000000003F00000000003F00000000003F00000000003E0000000 1E07E00000007F07E00000007F07C0000000FF07C0000000FF0F80000000FF0F80000000 FE0F00000000F81E00000000703E000000007878000000001FF00000000007C000000000 2C537CBF2D>102 D<0001FC00000000FFFC00000000FFF800000000FFF80000000003F8 0000000003F80000000003F00000000003F00000000007F00000000007F00000000007E0 0000000007E0000000000FE0000000000FE0000000000FC0000000000FC0000000001FC0 000000001FC0000000001F80000000001F80000000003F80000000003F80000000003F00 000000003F00FE0000007F07FFC000007F1F03E000007E3801F000007EF000F80000FFE0 00F80000FFC000FC0000FF8000FC0000FF0000FC0001FE0000FC0001FE0000FC0001FC00 00FC0001FC0000FC0003F80001FC0003F80001F80003F00001F80003F00001F80007F000 03F80007F00003F00007E00003F00007E00007F0000FE00007F0000FE00007E0000FC000 0FE0000FC0000FC0001FC0000FC0001FC0001FC0701F80001F80701F80001F80703F8000 3F80F03F80003F00E03F00003F00E03F00003F01E07F00003E01C07F00003E03C07E0000 3E03807E00003E0700FE00003E0F00FE00001F1E00FC00000FF80038000003E0002C407C BE34>104 D<0001FC00000000FFFC00000000FFF800000000FFF80000000003F8000000 0003F80000000003F00000000003F00000000007F00000000007F00000000007E0000000 0007E0000000000FE0000000000FE0000000000FC0000000000FC0000000001FC0000000 001FC0000000001F80000000001F80000000003F80000000003F80000000003F00000000 003F0000FC00007F0003FE00007F000F0780007E003C0F80007E00703F8000FE00E03F80 00FE01C07F8000FC03807F8000FC07007F8001FC0E007F0001FC1C001C0001F838000000 01F87000000003F8E000000003F9C000000003F38000000003FF0000000007FF00000000 07FFF000000007E3FE00000007E07F8000000FE01FC000000FE00FE000000FC007E00000 0FC007F000001FC003F000001FC003F00E001F8003F00E001F8003F00E003F8003F01E00 3F8007F01C003F0007E01C003F0007E01C007F0007E038007F0007E038007E0003E07800 7E0003E07000FE0001E0E000FE0001F1E000FC00007F80003800003E000029407CBE2F> 107 D<01F0000FF00003F8000007FC003FFE001FFF00000F1F00F01F007C0F80000E1F03 C00F80E007C0001E0F87000FC3C003E0001C0F8E0007C78003E0003C0FDC0007EF0003F0 00380FF80007EE0003F000380FF00007FC0003F000781FF00007F80003F000701FE00007 F80003F000701FC00007F00003F000701FC00007F00003F000F01F80000FE00007F000F0 3F80000FE00007E000003F00000FC00007E000003F00000FC00007E000003F00001FC000 0FE000007F00001FC0000FC000007E00001F80000FC000007E00001F80001FC000007E00 003F80001F800000FE00003F80001F800000FC00003F00003F800000FC00003F00003F00 0000FC00007F00003F000001FC00007F00007F01C001F800007E00007E01C001F800007E 00007E01C001F80000FE0000FE03C003F80000FE0000FC038003F00000FC0000FC038003 F00000FC0000FC078003F00001FC0000F8070007F00001FC0000F80F0007E00001F80000 F80E0007E00001F80000F81C0007E00003F80000F83C000FE00003F800007C78000FC000 03F000003FE00003800000E000000F80004A297EA750>109 D<000070000000FC000001 FC000001FC000001F8000001F8000003F8000003F8000003F0000003F0000007F0000007 F0000007E0000007E000000FE000000FE000000FC000000FC0007FFFFFF0FFFFFFF0FFFF FFE0001F8000003F8000003F8000003F0000003F0000007F0000007F0000007E0000007E 000000FE000000FE000000FC000000FC000001FC000001FC000001F8000001F8000003F8 000003F8000003F0000003F0000007F0000007F001C007E001C007E003C00FE003800FE0 03800FC007800FC007000FC00E000FC01E000FC03C0007C0380007C0700003E1E00001FF 8000003E00001C3A7EB821>116 D E /Fl 54 123 df<000000FFF8000000000FFFFF00 0000007FFFFF80000001FFFFFFE0000007FFC01FF000000FFE0007F000001FF8000FF800 003FE0001FF800007FC0003FFC0000FFC0003FFC0000FF80003FFC0001FF80003FFC0001 FF00003FFC0001FF00003FFC0001FF00001FF80001FF00000FF00001FF000003C00001FF 000000000001FF000000000001FF000000000001FF000000000001FF000000000001FF00 0000000001FF000003FC00FFFFFFFFFFFC00FFFFFFFFFFFC00FFFFFFFFFFFC00FFFFFFFF FFFC00FFFFFFFFFFFC0001FF80001FFC0001FF80000FFC0001FF80000FFC0001FF80000F FC0001FF80000FFC0001FF80000FFC0001FF80000FFC0001FF80000FFC0001FF80000FFC 0001FF80000FFC0001FF80000FFC0001FF80000FFC0001FF80000FFC0001FF80000FFC00 01FF80000FFC0001FF80000FFC0001FF80000FFC0001FF80000FFC0001FF80000FFC0001 FF80000FFC0001FF80000FFC0001FF80000FFC0001FF80000FFC0001FF80000FFC0001FF 80000FFC0001FF80000FFC0001FF80000FFC0001FF80000FFC0001FF80000FFC0001FF80 000FFC007FFFFE03FFFFF07FFFFE03FFFFF07FFFFE03FFFFF07FFFFE03FFFFF07FFFFE03 FFFFF034407EBF3A>12 D<0FC01FE03FF07FF8FFFCFFFCFFFCFFFEFFFEFFFE7FFE3FFE1F FE0FDE001E001E003E003C003C007C0078007800F801F001F003E007C00F801F803F001E 000C000F20798D1D>44 DI<0FC01FE03FF07FF8FFFCFFFCFFFCFFFCFFFC FFFC7FF83FF01FE00FC00E0E798D1D>I<000000001C000000003E000000007E00000000 7E00000000FE00000000FC00000001FC00000001F800000001F800000003F800000003F0 00000003F000000007F000000007E00000000FE00000000FC00000000FC00000001FC000 00001F800000003F800000003F000000003F000000007F000000007E00000000FE000000 00FC00000000FC00000001FC00000001F800000001F800000003F800000003F000000007 F000000007E000000007E00000000FE00000000FC00000001FC00000001F800000001F80 0000003F800000003F000000007F000000007E000000007E00000000FE00000000FC0000 0000FC00000001FC00000001F800000003F800000003F000000003F000000007F0000000 07E00000000FE00000000FC00000000FC00000001FC00000001F800000003F800000003F 000000003F000000007F000000007E000000007E00000000FE00000000FC00000001FC00 000001F800000001F800000003F800000003F000000007F000000007E000000007E00000 000FE00000000FC00000001FC00000001F800000001F800000003F800000003F00000000 3F000000007F000000007E00000000FE00000000FC00000000FC00000000F80000000078 00000000275B7AC334>I<0000FFE000000007FFFC0000001FFFFF0000007FFFFFC00000 FFE0FFE00001FF803FF00003FE000FF80007FC0007FC0007FC0007FC000FF80003FE001F F80003FF001FF80003FF001FF80003FF003FF00001FF803FF00001FF803FF00001FF807F F00001FFC07FF00001FFC07FF00001FFC07FF00001FFC07FF00001FFC0FFF00001FFE0FF F00001FFE0FFF00001FFE0FFF00001FFE0FFF00001FFE0FFF00001FFE0FFF00001FFE0FF F00001FFE0FFF00001FFE0FFF00001FFE0FFF00001FFE0FFF00001FFE0FFF00001FFE0FF F00001FFE0FFF00001FFE0FFF00001FFE0FFF00001FFE0FFF00001FFE0FFF00001FFE0FF F00001FFE07FF00001FFC07FF00001FFC07FF00001FFC07FF00001FFC07FF00001FFC03F F00001FF803FF80003FF803FF80003FF801FF80003FF001FF80003FF000FF80003FE000F FC0007FE0007FE000FFC0003FF001FF80001FF803FF00000FFE0FFE000007FFFFFC00000 1FFFFF00000007FFFC00000000FFE000002B3D7CBB34>I<00000F000000003F00000000 7F00000001FF0000000FFF000001FFFF0000FFFFFF0000FFFFFF0000FFFFFF0000FFF7FF 0000FE07FF00000007FF00000007FF00000007FF00000007FF00000007FF00000007FF00 000007FF00000007FF00000007FF00000007FF00000007FF00000007FF00000007FF0000 0007FF00000007FF00000007FF00000007FF00000007FF00000007FF00000007FF000000 07FF00000007FF00000007FF00000007FF00000007FF00000007FF00000007FF00000007 FF00000007FF00000007FF00000007FF00000007FF00000007FF00000007FF00000007FF 00000007FF00000007FF00000007FF00000007FF00000007FF00000007FF00000007FF00 000007FF00000007FF0000FFFFFFFFF0FFFFFFFFF0FFFFFFFFF0FFFFFFFFF0FFFFFFFFF0 243C78BB34>I<0003FF800000003FFFF8000000FFFFFE000003FFFFFF800007FFFFFFC0 000FF80FFFE0001FC003FFF0003F8000FFF8007FC0007FFC007FE0003FFE00FFF0003FFE 00FFF8001FFF00FFF8001FFF00FFF8000FFF80FFF8000FFF80FFF8000FFF80FFF8000FFF 807FF0000FFF803FE0000FFF801FC0000FFF800700000FFF800000000FFF800000001FFF 000000001FFF000000001FFE000000003FFE000000003FFC000000007FF8000000007FF8 00000000FFF000000000FFE000000001FFC000000003FF8000000007FE0000000007FC00 0000000FF8000000001FE0000000003FC0000000007F8000000000FF000F800001FC000F 800003F8000F800007F0001F00000FE0001F00001F80001F00003F00001F00007E00003F 0000FC00003F0001FFFFFFFF0003FFFFFFFE0007FFFFFFFE000FFFFFFFFE001FFFFFFFFE 003FFFFFFFFE007FFFFFFFFE00FFFFFFFFFE00FFFFFFFFFC00FFFFFFFFFC00FFFFFFFFFC 00FFFFFFFFFC00293C7BBB34>I<0001FFE00000000FFFFE0000003FFFFF800000FFFFFF E00001FF81FFF00003FC007FF80007F0003FFC0007F0003FFE000FFC001FFE000FFE001F FF001FFE001FFF001FFF001FFF001FFF001FFF001FFF001FFF001FFF001FFF001FFF001F FF000FFE001FFF000FFE001FFE0007FC003FFE0001F0003FFC000000003FFC000000007F F8000000007FF000000000FFE000000001FFC00000000FFF80000007FFFE00000007FFF8 00000007FFFE00000007FFFFC000000001FFF0000000007FF8000000003FFC000000001F FE000000000FFF000000000FFF800000000FFF8000000007FFC000000007FFC000000007 FFE00FC00007FFE01FE00007FFE03FF00007FFE07FF80007FFE0FFFC0007FFE0FFFC0007 FFE0FFFC0007FFE0FFFC0007FFC0FFFC0007FFC0FFFC000FFFC0FFF8000FFF807FF8000F FF807FF0001FFF003FC0003FFE001FE0007FFC000FFE01FFF80007FFFFFFF00003FFFFFF E00000FFFFFF8000003FFFFE00000003FFE000002B3D7CBB34>I<00000001F800000000 03F80000000007F80000000007F8000000000FF8000000001FF8000000003FF800000000 3FF8000000007FF800000000FFF800000001FFF800000003FFF800000003FFF800000007 FFF80000000FFFF80000001FBFF80000003F3FF80000003E3FF80000007C3FF8000000FC 3FF8000001F83FF8000001F03FF8000003E03FF8000007E03FF800000FC03FF800001F80 3FF800001F003FF800003E003FF800007E003FF80000FC003FF80001F8003FF80001F000 3FF80003E0003FF80007E0003FF8000FC0003FF8000F80003FF8001F00003FF8003F0000 3FF8007E00003FF800FC00003FF800FFFFFFFFFFF8FFFFFFFFFFF8FFFFFFFFFFF8FFFFFF FFFFF8FFFFFFFFFFF80000007FF8000000007FF8000000007FF8000000007FF800000000 7FF8000000007FF8000000007FF8000000007FF8000000007FF8000000007FF8000001FF FFFFF80001FFFFFFF80001FFFFFFF80001FFFFFFF80001FFFFFFF82D3C7DBB34>I<0700 000038000FE00001F8000FFE003FF8000FFFFFFFF8000FFFFFFFF0000FFFFFFFE0000FFF FFFFC0000FFFFFFF80000FFFFFFF00000FFFFFFE00000FFFFFF800000FFFFFF000000FFF FFC000000FFFFE0000000F80000000000F80000000000F80000000000F80000000000F80 000000000F80000000000F80000000000F80000000000F80000000000F80FFC000000F87 FFFC00000F9FFFFF00000FFFFFFF80000FFF01FFE0000FF8007FF0000FF0003FF8000FC0 001FFC000F80001FFC000700001FFE000000000FFE000000000FFF000000000FFF000000 000FFF000000000FFF800000000FFF800700000FFF801FC0000FFF803FE0000FFF807FF0 000FFF80FFF0000FFF80FFF8000FFF80FFF8000FFF80FFF8000FFF00FFF8000FFF00FFF0 000FFF00FFF0001FFE007FE0001FFE007F80001FFC003F00003FFC003F80007FF8001FE0 00FFF0000FFC07FFE00007FFFFFFC00003FFFFFF000000FFFFFC0000003FFFF000000007 FF000000293D7BBB34>I<000007FF000000003FFFC0000001FFFFF0000007FFFFF80000 0FFF03FC00003FF800FC00007FE001FE0000FFC003FE0001FF8007FF0003FF000FFF0003 FF000FFF0007FE000FFF000FFE000FFF000FFE000FFF001FFC000FFF001FFC0007FE003F FC0003FC003FFC0001F8003FFC000000007FF8000000007FF8000000007FF8020000007F F83FFE0000FFF87FFF8000FFF9FFFFE000FFFBFFFFF000FFFBE03FF800FFFF800FFC00FF FF0007FE00FFFF0007FF00FFFE0007FF00FFFE0003FF80FFFC0003FFC0FFFC0003FFC0FF FC0003FFC0FFFC0003FFE0FFF80003FFE0FFF80003FFE0FFF80003FFE0FFF80003FFE07F F80003FFE07FF80003FFE07FF80003FFE07FF80003FFE07FF80003FFE03FF80003FFE03F F80003FFE03FFC0003FFC01FFC0003FFC01FFC0003FFC00FFC0007FF800FFE0007FF0007 FE0007FF0003FF000FFE0001FF801FFC0000FFE07FF800007FFFFFF000003FFFFFE00000 1FFFFF80000007FFFE00000000FFF000002B3D7CBB34>I<1F00000000001F8000000000 1FF8000000001FFFFFFFFFF01FFFFFFFFFF01FFFFFFFFFF01FFFFFFFFFF03FFFFFFFFFF0 3FFFFFFFFFE03FFFFFFFFFC03FFFFFFFFF803FFFFFFFFF003FFFFFFFFE003FFFFFFFFC00 7FFFFFFFFC007E000001F8007E000003F0007C000007E0007C00000FC0007C00001F8000 7C00001F0000F800003F0000F800007E0000F80000FC0000000001F80000000003F00000 000003F00000000007E0000000000FE0000000000FC0000000001FC0000000003FC00000 00003F80000000007F80000000007F8000000000FF8000000000FF0000000001FF000000 0001FF0000000003FF0000000003FF0000000003FF0000000007FE0000000007FE000000 0007FE000000000FFE000000000FFE000000000FFE000000000FFE000000000FFE000000 001FFE000000001FFE000000001FFE000000001FFE000000001FFE000000001FFE000000 001FFE000000001FFE000000001FFE000000001FFE000000000FFC0000000007F8000000 0003F00000002C3F7ABD34>I<0000FFF000000007FFFE0000001FFFFF8000007FFFFFE0 0000FFC07FF00001FE001FF80003FC000FFC0007F80007FE0007F80003FE000FF00003FE 000FF00003FF000FF00001FF001FF00001FF001FF00001FF001FF80001FF001FFC0001FF 001FFE0001FF001FFF0003FF001FFFC003FE001FFFF003FE000FFFF807FC000FFFFE0FF8 000FFFFF9FF00007FFFFFFE00003FFFFFFC00003FFFFFF800001FFFFFF000000FFFFFF80 00007FFFFFE000001FFFFFF000003FFFFFF80000FFFFFFFC0001FFFFFFFE0007FE3FFFFF 000FFC1FFFFF801FF807FFFF801FF001FFFFC03FE0007FFFC07FE0003FFFC07FC0000FFF E07FC00003FFE0FF800001FFE0FF800000FFE0FF8000007FE0FF8000007FE0FF8000003F E0FF8000003FE0FF8000003FE0FFC000003FC07FC000003FC07FC000007F807FE000007F 803FF00000FF001FF80001FF001FFE0007FE000FFFC03FFC0007FFFFFFF80001FFFFFFE0 00007FFFFFC000001FFFFE00000001FFF000002B3D7CBB34>I<0001FFE00000000FFFFC 0000003FFFFF000000FFFFFFC00001FFE0FFE00003FF003FF00007FE001FF8000FFE000F FC001FFC000FFC001FFC0007FE003FFC0007FE007FF80007FF007FF80003FF007FF80003 FF80FFF80003FF80FFF80003FF80FFF80003FFC0FFF80003FFC0FFF80003FFC0FFF80003 FFC0FFF80003FFC0FFF80003FFE0FFF80003FFE0FFF80003FFE0FFF80003FFE07FF80007 FFE07FF80007FFE07FF80007FFE07FF80007FFE03FF8000FFFE01FFC000FFFE01FFC001F FFE00FFE001FFFE007FE003FFFE003FF80FBFFE001FFFFFBFFE0007FFFF3FFE0003FFFC3 FFE0000FFF83FFC000000803FFC000000003FFC000000003FFC000000007FF8003F00007 FF8007F80007FF800FFC0007FF001FFE0007FF001FFE000FFE001FFE000FFE001FFE000F FC001FFE001FFC001FFE003FF8001FFC003FF0000FF800FFE0000FF001FFC00007FC0FFF 800003FFFFFF000001FFFFFC000000FFFFF00000007FFFC00000000FFE0000002B3D7CBB 34>I<0FC01FE03FF07FF8FFFCFFFCFFFCFFFCFFFCFFFC7FF83FF01FE00FC00000000000 000000000000000000000000000000000000000FC01FE03FF07FF8FFFCFFFCFFFCFFFCFF FCFFFC7FF83FF01FE00FC00E2879A71D>I<00000000FC0000000000000000FC00000000 00000001FE0000000000000001FE0000000000000003FF0000000000000003FF00000000 00000003FF0000000000000007FF8000000000000007FF800000000000000FFFC0000000 0000000FFFC00000000000000FFFC00000000000001FFFE00000000000001FFFE0000000 0000003FFFF00000000000003FFFF00000000000003FFFF00000000000007FFFF8000000 0000007CFFF8000000000000FCFFFC000000000000F87FFC000000000000F87FFC000000 000001F87FFE000000000001F03FFE000000000003F03FFF000000000003E01FFF000000 000007E01FFF800000000007C01FFF800000000007C00FFF80000000000FC00FFFC00000 00000F8007FFC0000000001F8007FFE0000000001F0007FFE0000000001F0003FFE00000 00003F0003FFF0000000003E0001FFF0000000007E0001FFF8000000007C0000FFF80000 00007C0000FFF800000000FC0000FFFC00000000F800007FFC00000001FFFFFFFFFE0000 0001FFFFFFFFFE00000001FFFFFFFFFE00000003FFFFFFFFFF00000003FFFFFFFFFF0000 0007E000001FFF80000007C000000FFF8000000FC000000FFFC000000F8000000FFFC000 000F80000007FFC000001F80000007FFE000001F00000003FFE000003F00000003FFF000 003E00000003FFF000003E00000001FFF000007E00000001FFF800007C00000000FFF800 FFFFFC0000FFFFFFFCFFFFFC0000FFFFFFFCFFFFFC0000FFFFFFFCFFFFFC0000FFFFFFFC FFFFFC0000FFFFFFFC463F7CBE4F>65 DI68 DII<00000007FFC0000E00000000 FFFFFC001E00000007FFFFFF003E0000003FFFFFFFC07E000000FFFFFFFFE1FE000003FF FF803FFBFE000007FFF80003FFFE00000FFFC00000FFFE00003FFF0000007FFE00007FFE 0000001FFE0000FFF80000000FFE0001FFF000000007FE0003FFE000000007FE0003FFC0 00000003FE0007FFC000000001FE000FFF8000000001FE000FFF8000000000FE001FFF00 00000000FE001FFF00000000007E003FFF00000000007E003FFE00000000007E003FFE00 000000003E007FFE00000000003E007FFE00000000003E007FFE00000000003E007FFC00 000000000000FFFC00000000000000FFFC00000000000000FFFC00000000000000FFFC00 000000000000FFFC00000000000000FFFC00000000000000FFFC00000000000000FFFC00 000000000000FFFC00000000000000FFFC00000000000000FFFC00000000000000FFFC00 0007FFFFFFFC7FFC000007FFFFFFFC7FFE000007FFFFFFFC7FFE000007FFFFFFFC7FFE00 0007FFFFFFFC3FFE000000003FFE003FFE000000003FFE003FFF000000003FFE001FFF00 0000003FFE001FFF000000003FFE000FFF800000003FFE000FFF800000003FFE0007FFC0 0000003FFE0003FFE00000003FFE0003FFE00000003FFE0001FFF00000003FFE0000FFF8 0000003FFE00007FFE0000007FFE00003FFF8000007FFE00000FFFE00000FFFE000007FF F80003FFFE000003FFFF801FFFFE000000FFFFFFFFF3FE0000003FFFFFFFC0FE00000007 FFFFFF803E00000000FFFFFE000E0000000007FFE000000046407ABE52>I73 D75 D77 DI<0000003FFF00000000000003FFFFF00000000000 1FFFFFFE00000000007FFFFFFF8000000001FFF807FFE000000007FFC000FFF80000000F FF00003FFC0000003FFC00000FFF0000007FF8000007FF800000FFF0000003FFC00001FF E0000001FFE00001FFC0000000FFE00003FFC0000000FFF00007FF800000007FF80007FF 800000007FF8000FFF000000003FFC001FFF000000003FFE001FFF000000003FFE001FFE 000000001FFE003FFE000000001FFF003FFE000000001FFF003FFE000000001FFF007FFC 000000000FFF807FFC000000000FFF807FFC000000000FFF807FFC000000000FFF80FFFC 000000000FFFC0FFFC000000000FFFC0FFFC000000000FFFC0FFFC000000000FFFC0FFFC 000000000FFFC0FFFC000000000FFFC0FFFC000000000FFFC0FFFC000000000FFFC0FFFC 000000000FFFC0FFFC000000000FFFC0FFFC000000000FFFC0FFFC000000000FFFC0FFFC 000000000FFFC07FFC000000000FFF807FFE000000001FFF807FFE000000001FFF807FFE 000000001FFF803FFE000000001FFF003FFE000000001FFF003FFF000000003FFF001FFF 000000003FFE001FFF000000003FFE000FFF800000007FFC000FFF800000007FFC0007FF C0000000FFF80003FFE0000001FFF00003FFE0000001FFF00001FFF0000003FFE00000FF F8000007FFC000007FFC00000FFF8000003FFF00003FFF0000001FFFC000FFFE00000007 FFF807FFF800000001FFFFFFFFE000000000FFFFFFFFC0000000001FFFFFFE0000000000 03FFFFF00000000000003FFF0000000042407ABE4F>II82 D<3FFFFFFFFFFFFFFC3FFFFFFFFFFFFFFC3FFFFFFFFFFFFFFC 3FFFFFFFFFFFFFFC3FFFFFFFFFFFFFFC3FFE003FFE003FFC7FF0003FFE000FFE7FC0003F FE0003FE7F80003FFE0001FE7F00003FFE0000FE7F00003FFE00007E7E00003FFE00007E 7E00003FFE00007E7C00003FFE00003E7C00003FFE00003E7C00003FFE00003E7C00003F FE00003EFC00003FFE00003FF800003FFE00001FF800003FFE00001FF800003FFE00001F F800003FFE00001FF800003FFE00001F0000003FFE0000000000003FFE0000000000003F FE0000000000003FFE0000000000003FFE0000000000003FFE0000000000003FFE000000 0000003FFE0000000000003FFE0000000000003FFE0000000000003FFE0000000000003F FE0000000000003FFE0000000000003FFE0000000000003FFE0000000000003FFE000000 0000003FFE0000000000003FFE0000000000003FFE0000000000003FFE0000000000003F FE0000000000003FFE0000000000003FFE0000000000003FFE0000000000003FFE000000 0000003FFE0000000000003FFE0000000000003FFE0000000000003FFE0000000000003F FE0000000000003FFE0000000000003FFE0000000000003FFE000000000FFFFFFFFFF800 000FFFFFFFFFF800000FFFFFFFFFF800000FFFFFFFFFF800000FFFFFFFFFF800403D7CBC 49>84 DI87 D<0007FFC00000003FFFF8000001FFFFFF000003FFFFFF800007FE03FFC0000FF800FFE0 000FFC003FF0001FFE003FF8001FFE001FFC001FFE001FFC001FFE001FFC001FFE000FFE 001FFE000FFE000FFC000FFE0007F8000FFE0001E0000FFE000000000FFE000000003FFE 000000FFFFFE00000FFFFFFE00007FFFFFFE0001FFFE0FFE0003FFE00FFE000FFF800FFE 001FFE000FFE003FFC000FFE003FF8000FFE007FF0000FFE00FFF0000FFE00FFE0000FFE 00FFE0000FFE00FFE0000FFE00FFE0000FFE00FFE0001FFE00FFF0001FFE007FF0003FFE 007FF8007BFF803FFC00FBFFFE1FFF07F3FFFE0FFFFFE1FFFE03FFFF80FFFE00FFFF003F FE001FF80000002F2B7DA933>97 D<00007FF0000007FFFF00001FFFFFC0007FFFFFE000 FFF01FF001FF800FF803FF001FF807FE003FFC0FFE003FFC1FFC003FFC1FFC003FFC3FF8 003FFC3FF8003FFC7FF8001FF87FF0000FF07FF00003C0FFF0000000FFF0000000FFF000 0000FFF0000000FFF0000000FFF0000000FFF0000000FFF0000000FFF0000000FFF00000 00FFF00000007FF00000007FF80000007FF80000007FF80000003FF800003E3FFC00003E 1FFC00007E0FFE00007C07FF0000FC07FF8001F803FFC003F000FFF81FE0007FFFFFC000 1FFFFF800007FFFE0000007FF000272B7DA92E>99 D<0000000007F80000000007FFF800 00000007FFF80000000007FFF80000000007FFF80000000007FFF800000000003FF80000 0000001FF800000000001FF800000000001FF800000000001FF800000000001FF8000000 00001FF800000000001FF800000000001FF800000000001FF800000000001FF800000000 001FF800000000001FF800000000001FF800000000001FF800000000001FF80000007FF0 1FF8000007FFFE1FF800001FFFFF9FF800007FFFFFDFF80000FFF01FFFF80001FFC003FF F80003FF0001FFF80007FE00007FF8000FFC00007FF8001FFC00003FF8001FF800003FF8 003FF800003FF8003FF800003FF8007FF800003FF8007FF000003FF8007FF000003FF800 FFF000003FF800FFF000003FF800FFF000003FF800FFF000003FF800FFF000003FF800FF F000003FF800FFF000003FF800FFF000003FF800FFF000003FF800FFF000003FF8007FF0 00003FF8007FF000003FF8007FF000003FF8007FF800003FF8003FF800003FF8003FF800 003FF8001FFC00007FF8000FFC00007FF8000FFE0000FFF80007FF0003FFFC0003FF8007 FFFFE001FFF03FFFFFE0007FFFFFBFFFE0003FFFFF3FFFE00007FFFC3FFFE00000FFE03F E00033407DBE3A>I<0000FFF000000007FFFE0000001FFFFF8000007FFFFFC00000FFE0 7FE00001FF801FF00003FF000FF80007FE0007FC000FFC0003FE001FFC0003FE001FF800 01FE003FF80001FF003FF80001FF007FF00001FF007FF00000FF807FF00000FF80FFF000 00FF80FFF00000FF80FFFFFFFFFF80FFFFFFFFFF80FFFFFFFFFF80FFFFFFFFFF80FFF000 000000FFF000000000FFF000000000FFF000000000FFF0000000007FF0000000007FF000 0000007FF8000000003FF8000000003FF800000F801FFC00000F801FFC00001F800FFE00 001F0007FF00003F0003FF80007E0001FFE001FC0000FFF80FF800003FFFFFF000001FFF FFC0000003FFFF000000007FF80000292B7DA930>I<000007FE0000007FFF800001FFFF C00007FFFFE0000FFE3FF0001FF03FF0003FE07FF8007FC07FF800FFC07FF800FF807FF8 00FF807FF801FF003FF001FF001FE001FF000FC001FF00000001FF00000001FF00000001 FF00000001FF00000001FF00000001FF00000001FF00000001FF00000001FF000000FFFF FFE000FFFFFFE000FFFFFFE000FFFFFFE000FFFFFFE00001FF80000001FF80000001FF80 000001FF80000001FF80000001FF80000001FF80000001FF80000001FF80000001FF8000 0001FF80000001FF80000001FF80000001FF80000001FF80000001FF80000001FF800000 01FF80000001FF80000001FF80000001FF80000001FF80000001FF80000001FF80000001 FF80000001FF80000001FF80000001FF80000001FF80000001FF8000007FFFFF80007FFF FF80007FFFFF80007FFFFF80007FFFFF800025407DBF20>I<0003FF8007F0003FFFF83F F8007FFFFCFFFC01FFFFFFFFFE03FF83FFF9FE07FC007FC3FE0FF8003FE1FE1FF8003FF1 FC1FF0001FF0F81FF0001FF0003FF0001FF8003FF0001FF8003FF0001FF8003FF0001FF8 003FF0001FF8003FF0001FF8003FF0001FF8001FF0001FF0001FF0001FF0001FF8003FF0 000FF8003FE00007FC007FC00003FF83FF800003FFFFFF000007FFFFFC000007BFFFF800 000F03FF8000000F00000000000F00000000001F80000000001F80000000001FC0000000 001FF0000000000FFFFFFF00000FFFFFFFF0000FFFFFFFFC0007FFFFFFFF0007FFFFFFFF 8003FFFFFFFFC001FFFFFFFFE007FFFFFFFFE01FFFFFFFFFF03FE00003FFF07FC000003F F07F8000001FF8FF8000000FF8FF00000007F8FF00000007F8FF00000007F8FF00000007 F8FF00000007F87F8000000FF07FC000001FF03FC000001FE03FF000007FE01FFC0001FF C007FF800FFF0003FFFFFFFE0000FFFFFFF800003FFFFFE0000001FFFC00002F3D7DA834 >I<00FF0000000000FFFF0000000000FFFF0000000000FFFF0000000000FFFF00000000 00FFFF000000000007FF000000000003FF000000000003FF000000000003FF0000000000 03FF000000000003FF000000000003FF000000000003FF000000000003FF000000000003 FF000000000003FF000000000003FF000000000003FF000000000003FF000000000003FF 000000000003FF000000000003FF001FF8000003FF00FFFE000003FF03FFFF800003FF07 FFFFC00003FF0FE0FFE00003FF1F007FE00003FF3C007FF00003FF78007FF00003FFF000 3FF80003FFE0003FF80003FFE0003FF80003FFC0003FF80003FFC0003FF80003FFC0003F F80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF8 0003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF800 03FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003 FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF 80003FF80003FF80003FF800FFFFFE0FFFFFE0FFFFFE0FFFFFE0FFFFFE0FFFFFE0FFFFFE 0FFFFFE0FFFFFE0FFFFFE0333F7CBE3A>I<01F80003FC0007FE000FFF001FFF801FFF80 1FFF801FFF801FFF801FFF800FFF0007FE0003FC0001F800000000000000000000000000 00000000000000000000000000000000FF00FFFF00FFFF00FFFF00FFFF00FFFF0007FF00 03FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF00 03FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF00 03FF0003FF0003FF0003FF0003FF00FFFFF8FFFFF8FFFFF8FFFFF8FFFFF815407CBF1D> I<00FF0000000000FFFF0000000000FFFF0000000000FFFF0000000000FFFF0000000000 FFFF000000000007FF000000000003FF000000000003FF000000000003FF000000000003 FF000000000003FF000000000003FF000000000003FF000000000003FF000000000003FF 000000000003FF000000000003FF000000000003FF000000000003FF000000000003FF00 0000000003FF000000000003FF000000000003FF000FFFFE0003FF000FFFFE0003FF000F FFFE0003FF000FFFFE0003FF000FFFFE0003FF0001FE000003FF0003FC000003FF0007F0 000003FF001FE0000003FF003FC0000003FF007F80000003FF00FF00000003FF03FC0000 0003FF07F800000003FF0FF000000003FF1FF000000003FF7FF800000003FFFFFC000000 03FFFFFC00000003FFFFFE00000003FFFFFF00000003FFE7FF80000003FFC3FFC0000003 FF81FFC0000003FF00FFE0000003FF00FFF0000003FF007FF8000003FF003FFC000003FF 001FFC000003FF000FFE000003FF000FFF000003FF0007FF800003FF0003FFC00003FF00 01FFC00003FF0000FFE000FFFFFC07FFFFC0FFFFFC07FFFFC0FFFFFC07FFFFC0FFFFFC07 FFFFC0FFFFFC07FFFFC0323F7DBE37>107 D<00FF00FFFF00FFFF00FFFF00FFFF00FFFF 0007FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF 0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF 0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF 0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF0003FF 0003FF0003FF0003FF0003FF00FFFFFCFFFFFCFFFFFCFFFFFCFFFFFC163F7CBE1D>I<00 FF001FF80000FFC00000FFFF00FFFF0007FFF80000FFFF03FFFFC01FFFFE0000FFFF07FF FFE03FFFFF0000FFFF0FE0FFF07F07FF8000FFFF1F003FF0F801FF800007FF3E003FF9F0 01FFC00003FF78003FFBC001FFC00003FFF0001FFF8000FFE00003FFF0001FFF8000FFE0 0003FFE0001FFF0000FFE00003FFC0001FFE0000FFE00003FFC0001FFE0000FFE00003FF C0001FFE0000FFE00003FF80001FFC0000FFE00003FF80001FFC0000FFE00003FF80001F FC0000FFE00003FF80001FFC0000FFE00003FF80001FFC0000FFE00003FF80001FFC0000 FFE00003FF80001FFC0000FFE00003FF80001FFC0000FFE00003FF80001FFC0000FFE000 03FF80001FFC0000FFE00003FF80001FFC0000FFE00003FF80001FFC0000FFE00003FF80 001FFC0000FFE00003FF80001FFC0000FFE00003FF80001FFC0000FFE00003FF80001FFC 0000FFE00003FF80001FFC0000FFE00003FF80001FFC0000FFE00003FF80001FFC0000FF E00003FF80001FFC0000FFE00003FF80001FFC0000FFE00003FF80001FFC0000FFE000FF FFFE07FFFFF03FFFFF80FFFFFE07FFFFF03FFFFF80FFFFFE07FFFFF03FFFFF80FFFFFE07 FFFFF03FFFFF80FFFFFE07FFFFF03FFFFF8051297CA858>I<00FF001FF80000FFFF00FF FE0000FFFF03FFFF8000FFFF07FFFFC000FFFF0FE0FFE000FFFF1F007FE00007FF3C007F F00003FF78007FF00003FFF0003FF80003FFE0003FF80003FFE0003FF80003FFC0003FF8 0003FFC0003FF80003FFC0003FF80003FF80003FF80003FF80003FF80003FF80003FF800 03FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003 FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF 80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80 003FF80003FF80003FF80003FF80003FF80003FF80003FF800FFFFFE0FFFFFE0FFFFFE0F FFFFE0FFFFFE0FFFFFE0FFFFFE0FFFFFE0FFFFFE0FFFFFE033297CA83A>I<00007FF000 000003FFFE0000001FFFFFC000007FFFFFF00000FFE03FF80001FF800FFC0003FE0003FE 0007FC0001FF000FFC0001FF801FF80000FFC01FF80000FFC03FF80000FFE03FF000007F E07FF000007FF07FF000007FF07FF000007FF07FF000007FF0FFF000007FF8FFF000007F F8FFF000007FF8FFF000007FF8FFF000007FF8FFF000007FF8FFF000007FF8FFF000007F F8FFF000007FF8FFF000007FF87FF000007FF07FF000007FF07FF000007FF07FF000007F F03FF80000FFE03FF80000FFE01FF80000FFC00FFC0001FF800FFC0001FF8007FE0003FF 0003FF800FFE0001FFE03FFC00007FFFFFF000001FFFFFC0000007FFFF000000007FF000 002D2B7DA934>I<00FF00FFE00000FFFF07FFFC0000FFFF1FFFFF8000FFFF7FFFFFC000 FFFFFF81FFF000FFFFFC007FF80003FFF0003FFC0003FFE0001FFE0003FFC0000FFE0003 FF800007FF0003FF800007FF8003FF800007FF8003FF800003FFC003FF800003FFC003FF 800003FFC003FF800001FFC003FF800001FFE003FF800001FFE003FF800001FFE003FF80 0001FFE003FF800001FFE003FF800001FFE003FF800001FFE003FF800001FFE003FF8000 01FFE003FF800001FFE003FF800003FFC003FF800003FFC003FF800003FFC003FF800003 FF8003FF800007FF8003FF800007FF0003FF80000FFF0003FFC0000FFE0003FFE0001FFC 0003FFF0003FF80003FFFC00FFF00003FFFF03FFE00003FFFFFFFFC00003FF9FFFFF0000 03FF87FFFC000003FF81FFC0000003FF800000000003FF800000000003FF800000000003 FF800000000003FF800000000003FF800000000003FF800000000003FF800000000003FF 800000000003FF800000000003FF800000000003FF8000000000FFFFFE00000000FFFFFE 00000000FFFFFE00000000FFFFFE00000000FFFFFE00000000333B7DA83A>I<01FE01FE 00FFFE07FF80FFFE0FFFE0FFFE1FFFF0FFFE3F1FF0FFFE7C3FF807FEF83FF803FEF03FF8 03FFE03FF803FFE03FF803FFC01FF003FFC00FE003FF8007C003FF80000003FF80000003 FF80000003FF00000003FF00000003FF00000003FF00000003FF00000003FF00000003FF 00000003FF00000003FF00000003FF00000003FF00000003FF00000003FF00000003FF00 000003FF00000003FF00000003FF00000003FF00000003FF00000003FF000000FFFFFF00 00FFFFFF0000FFFFFF0000FFFFFF0000FFFFFF000025297DA82B>114 D<003FFC1E0001FFFFBE0007FFFFFE000FFFFFFE001FF00FFE003F8001FE007F0000FE00 7E00007E007E00007E00FE00003E00FE00003E00FF00003E00FF80003E00FFC0000000FF F8000000FFFFE000007FFFFF00007FFFFFC0003FFFFFF0001FFFFFF8000FFFFFFC0007FF FFFE0003FFFFFF0000FFFFFF80001FFFFF800000FFFF80000007FFC0000000FFC0780000 7FC0F800003FC0F800001FC0FC00001FC0FC00001FC0FE00001FC0FE00001F80FF00003F 80FF80003F00FFE000FF00FFF803FE00FFFFFFFC00FFFFFFF000F87FFFC000E00FFE0000 222B7DA929>I<0007C0000007C0000007C0000007C0000007C000000FC000000FC00000 0FC000000FC000001FC000001FC000001FC000003FC000007FC000007FC00000FFC00001 FFC00007FFC0001FFFFFFEFFFFFFFEFFFFFFFEFFFFFFFEFFFFFFFE01FFC00001FFC00001 FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001 FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC00001FFC01F01 FFC01F01FFC01F01FFC01F01FFC01F01FFC01F01FFC01F01FFC01F01FFC01F00FFE03E00 FFE03E007FE07E007FF8FC003FFFF8001FFFF00007FFE00000FF80203B7EB929>I<00FF 80000FF800FFFF800FFFF800FFFF800FFFF800FFFF800FFFF800FFFF800FFFF800FFFF80 0FFFF80007FF80007FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF8000 3FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003F F80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF8 0003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF800 03FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80003FF80007FF80003 FF80007FF80003FF80007FF80003FF8000FFF80001FF8001FFF80001FF8003FFFC0000FF C007DFFFE000FFF01F9FFFE0007FFFFF1FFFE0003FFFFE1FFFE0000FFFF81FFFE00001FF E01FE000332A7CA83A>I119 DII<3FFFFFFFF83FFFFFFFF83FFFFFFFF83FFFFFFFF83FF801FFF03FC001FF E03F8003FFE03F0007FFC03F000FFF807E000FFF007E001FFF007E003FFE007C003FFC00 7C007FFC007C00FFF8007C01FFF0007C01FFE0000003FFE0000007FFC000000FFF800000 0FFF8000001FFF007C003FFE007C003FFC007C007FFC007C00FFF800FC01FFF000F801FF E000F803FFE000F807FFC001F807FF8001F80FFF8003F81FFF0003F83FFE0007F83FFC00 1FF87FFC00FFF0FFFFFFFFF0FFFFFFFFF0FFFFFFFFF0FFFFFFFFF026287DA72E>I E /Fm 44 123 df<07F0001FF8003FFC007FFE007FFF00FFFF00FFFF80FFFF80FFFF80FF FFC0FFFFC0FFFFC07FFFC07FFFC03FFFC01FFFC007F3C00003C00003C00007C000078000 0780000780000F80000F00000F00001F00001E00003E00003C00007C0000F80000F80001 F00003E00007C0000F80001F00001E00000C00001228769025>44 DI<07F0000FF8001FFC00 3FFE007FFF00FFFF80FFFF80FFFF80FFFF80FFFF80FFFF80FFFF807FFF003FFE001FFC00 0FF80007F0001111769025>I<000000780000000000FC0000000003FC0000000007FC00 0000001FFC00000000FFFC0000000FFFFC000007FFFFFC0000FFFFFFFC0000FFFFFFFC00 00FFFF7FFC0000FFF07FFC0000F8007FFC000000007FFC000000007FFC000000007FFC00 0000007FFC000000007FFC000000007FFC000000007FFC000000007FFC000000007FFC00 0000007FFC000000007FFC000000007FFC000000007FFC000000007FFC000000007FFC00 0000007FFC000000007FFC000000007FFC000000007FFC000000007FFC000000007FFC00 0000007FFC000000007FFC000000007FFC000000007FFC000000007FFC000000007FFC00 0000007FFC000000007FFC000000007FFC000000007FFC000000007FFC000000007FFC00 0000007FFC000000007FFC000000007FFC000000007FFC000000007FFC000000007FFC00 0000007FFC000000007FFC000000007FFC000000007FFC000000007FFC000000007FFC00 0000007FFC000000007FFC000000007FFC000000007FFC000000007FFC000000007FFC00 0000007FFC000000007FFC000000007FFC000000007FFC000000007FFC000000007FFC00 0000007FFC000000007FFC000000007FFC00007FFFFFFFFFFE7FFFFFFFFFFE7FFFFFFFFF FE7FFFFFFFFFFE7FFFFFFFFFFE2F4E76CD43>49 D<00003FFE0000000003FFFFE0000000 0FFFFFFC0000003FFFFFFF000000FFFFFFFFC00001FFC07FFFE00003FE000FFFF80007F8 0003FFFC000FE00001FFFE001FC00000FFFF003F8000007FFF003FF000007FFF807FF800 003FFFC07FFC00003FFFC0FFFE00001FFFE0FFFF00001FFFE0FFFF00001FFFE0FFFF0000 0FFFF0FFFF00000FFFF0FFFF00000FFFF0FFFF00000FFFF0FFFF00000FFFF07FFE00000F FFF07FFE00000FFFF03FFC00000FFFF00FF000000FFFF003C000000FFFF0000000000FFF E0000000001FFFE0000000001FFFE0000000001FFFC0000000003FFFC0000000003FFF80 000000003FFF80000000007FFF00000000007FFE0000000000FFFC0000000001FFF80000 000001FFF00000000003FFE00000000003FFC00000000007FF80000000000FFF00000000 001FFE00000000001FFC00000000003FF800000000007FE00000000000FFC00000000001 FF800000000003FE000000000007FC000000000007F800000000000FF00001F000001FE0 0001F000003F800001F000007F000001F00000FE000003E00001FC000003E00003F80000 03E00007F0000003E0000FE0000003E0001F80000007E0003F00000007E0003E0000000F E0007FFFFFFFFFE000FFFFFFFFFFC001FFFFFFFFFFC003FFFFFFFFFFC007FFFFFFFFFFC0 0FFFFFFFFFFFC01FFFFFFFFFFFC03FFFFFFFFFFFC07FFFFFFFFFFFC0FFFFFFFFFFFFC0FF FFFFFFFFFF80FFFFFFFFFFFF80FFFFFFFFFFFF80FFFFFFFFFFFF80344E79CD43>I<0000 0FFFC000000000FFFFFC00000007FFFFFF8000001FFFFFFFE000003FF807FFF00000FF80 01FFFC0001FE00007FFE0003F800003FFF0003F000003FFF8007FC00001FFF800FFF0000 1FFFC00FFF80001FFFC01FFFC0001FFFE01FFFC0001FFFE01FFFC0001FFFE01FFFC0001F FFE01FFFE0001FFFE01FFFC0001FFFE01FFFC0001FFFE01FFFC0001FFFE00FFFC0001FFF C007FF80001FFFC003FF00003FFFC001FC00003FFF80000000003FFF80000000007FFF00 000000007FFE00000000007FFE0000000000FFFC0000000001FFF80000000003FFF00000 000007FFC0000000000FFF8000000000FFFE00000000FFFFF800000000FFFFE000000000 FFFFFC00000000FFFFFF800000000007FFE00000000001FFF800000000007FFE00000000 003FFF00000000001FFF80000000000FFFC0000000000FFFE00000000007FFF000000000 07FFF00000000007FFF80000000007FFF80000000003FFFC0000000003FFFC0000000003 FFFE0000000003FFFE03E0000003FFFE0FF8000003FFFE1FFC000003FFFE3FFE000003FF FE7FFF000003FFFEFFFF800003FFFEFFFF800003FFFEFFFF800003FFFEFFFF800003FFFC FFFF800003FFFCFFFF800007FFFCFFFF800007FFF8FFFF000007FFF87FFF000007FFF07F FE00000FFFF03FFC00000FFFE03FF000001FFFC01FE000003FFF800FF800007FFF0007FF 0000FFFE0003FFF007FFFC0000FFFFFFFFF000007FFFFFFFE000001FFFFFFF80000003FF FFFC000000001FFF800000374F7ACD43>I<00000000007C00000000000000FE00000000 000000FE00000000000001FE00000000000003FE00000000000007FE0000000000000FFE 0000000000000FFE0000000000001FFE0000000000003FFE0000000000007FFE00000000 00007FFE000000000000FFFE000000000001FFFE000000000003FFFE000000000003FFFE 000000000007FFFE00000000000FFFFE00000000001FBFFE00000000003F3FFE00000000 003E3FFE00000000007C3FFE0000000000FC3FFE0000000001F83FFE0000000001F03FFE 0000000003E03FFE0000000007E03FFE000000000FC03FFE000000000F803FFE00000000 1F003FFE000000003F003FFE000000007E003FFE000000007C003FFE00000000F8003FFE 00000001F8003FFE00000003F0003FFE00000007E0003FFE00000007C0003FFE0000000F 80003FFE0000001F80003FFE0000003F00003FFE0000003E00003FFE0000007C00003FFE 000000FC00003FFE000001F800003FFE000001F000003FFE000003E000003FFE000007E0 00003FFE00000FC000003FFE00001F8000003FFE00001F0000003FFE00003E0000003FFE 00007E0000003FFE0000FC0000003FFE0000FFFFFFFFFFFFFFC0FFFFFFFFFFFFFFC0FFFF FFFFFFFFFFC0FFFFFFFFFFFFFFC0FFFFFFFFFFFFFFC0000000007FFE0000000000007FFE 0000000000007FFE0000000000007FFE0000000000007FFE0000000000007FFE00000000 00007FFE0000000000007FFE0000000000007FFE0000000000007FFE0000000000007FFE 0000000000007FFE0000000000007FFE0000000000007FFE0000000000007FFE00000000 0FFFFFFFFFC000000FFFFFFFFFC000000FFFFFFFFFC000000FFFFFFFFFC000000FFFFFFF FFC03A4F7CCE43>I<03800000000E0007E00000007E0007FE000003FE0007FFF0007FFE 0007FFFFFFFFFC0007FFFFFFFFF80007FFFFFFFFF00007FFFFFFFFE00007FFFFFFFFC000 07FFFFFFFF800007FFFFFFFF000007FFFFFFFE000007FFFFFFFC000007FFFFFFF0000007 FFFFFFC0000007FFFFFF00000007FFFFF800000007E1FF0000000007E0000000000007E0 000000000007E0000000000007E0000000000007E0000000000007E0000000000007E000 0000000007E0000000000007E0000000000007E0000000000007E0000000000007E00FFF 00000007E07FFFF0000007E3FFFFFE000007E7FFFFFF800007FFF807FFC00007FFC001FF E00007FE0000FFF80007FC00007FFC0007F800003FFC0007F000003FFE0007E000001FFF 0003C000001FFF80000000001FFF80000000001FFFC0000000000FFFC0000000000FFFE0 000000000FFFE0000000000FFFE0000000000FFFE0000000000FFFF0000000000FFFF000 0000000FFFF00FE000000FFFF01FF000000FFFF03FF800000FFFF07FFC00000FFFF0FFFE 00000FFFF0FFFE00000FFFF0FFFE00000FFFF0FFFE00000FFFF0FFFE00000FFFE0FFFE00 000FFFE0FFFE00000FFFE0FFFC00000FFFE07FF800001FFFC07FF000001FFFC07FE00000 1FFF803E0000003FFF803F0000003FFF001F8000007FFE001FC000007FFC000FE00000FF F80007F80001FFF00003FE0007FFE00001FFC03FFFC00000FFFFFFFF8000003FFFFFFE00 00001FFFFFF800000003FFFFC0000000007FF8000000344F79CD43>I<0000000FFF0000 000000FFFFE000000007FFFFF00000001FFFFFFC0000007FFE03FE000001FFF0007F0000 03FFC0003F800007FF00001F80000FFE00007FC0001FFC0000FFC0003FF80001FFE0007F F00003FFE000FFF00007FFE001FFE00007FFE001FFE00007FFE003FFC00007FFE007FFC0 0007FFE007FFC00007FFE00FFFC00003FFC00FFF800001FF801FFF800000FF001FFF8000 007E001FFF80000000003FFF80000000003FFF80000000003FFF00000000007FFF000000 00007FFF00000000007FFF00080000007FFF01FFF800007FFF07FFFF0000FFFF0FFFFFC0 00FFFF1FFFFFF000FFFF3F007FF800FFFF3C003FFC00FFFF78001FFE00FFFFF0000FFF00 FFFFF00007FF80FFFFE00007FFC0FFFFE00007FFC0FFFFC00007FFE0FFFFC00003FFF0FF FF800003FFF0FFFF800003FFF8FFFF800003FFF8FFFF800003FFF8FFFF800003FFF8FFFF 000003FFFCFFFF000003FFFCFFFF000003FFFC7FFF000003FFFC7FFF000003FFFC7FFF00 0003FFFC7FFF000003FFFC7FFF000003FFFC7FFF000003FFFC3FFF000003FFFC3FFF0000 03FFFC3FFF000003FFFC3FFF000003FFFC1FFF000003FFF81FFF800003FFF81FFF800003 FFF80FFF800003FFF80FFF800003FFF007FF800007FFF007FF800007FFE003FFC00007FF C001FFC00007FFC001FFE0000FFF8000FFF0000FFF00007FF8001FFE00003FFC007FFC00 001FFF01FFF800000FFFFFFFF0000003FFFFFFC0000000FFFFFF000000003FFFFC000000 0007FFC00000364F7ACD43>I<00000000001F00000000000000000000003F8000000000 0000000000007FC0000000000000000000007FC000000000000000000000FFE000000000 000000000000FFE000000000000000000000FFE000000000000000000001FFF000000000 000000000001FFF000000000000000000003FFF800000000000000000003FFF800000000 000000000003FFF800000000000000000007FFFC00000000000000000007FFFC00000000 000000000007FFFC0000000000000000000FFFFE0000000000000000000FFFFE00000000 00000000001FFFFF0000000000000000001FFFFF0000000000000000001FFFFF00000000 00000000003FFFFF8000000000000000003F7FFF8000000000000000007F7FFFC0000000 00000000007E7FFFC000000000000000007E3FFFC00000000000000000FE3FFFE0000000 0000000000FC1FFFE00000000000000001FC1FFFF00000000000000001F81FFFF0000000 0000000001F80FFFF00000000000000003F80FFFF80000000000000003F007FFF8000000 0000000007F007FFFC0000000000000007E007FFFC0000000000000007E003FFFC000000 000000000FE003FFFE000000000000000FC001FFFE000000000000001FC001FFFF000000 000000001F8001FFFF000000000000001F8000FFFF000000000000003F8000FFFF800000 000000003F00007FFF800000000000007F00007FFFC00000000000007E00007FFFC00000 000000007E00003FFFC0000000000000FE00003FFFE0000000000000FC00001FFFE00000 00000001FC00001FFFF0000000000001F800001FFFF0000000000001F800000FFFF00000 00000003F800000FFFF8000000000003F0000007FFF8000000000007F0000007FFFC0000 00000007E0000007FFFC000000000007E0000003FFFC00000000000FFFFFFFFFFFFE0000 0000000FFFFFFFFFFFFE00000000001FFFFFFFFFFFFF00000000001FFFFFFFFFFFFF0000 0000001FFFFFFFFFFFFF00000000003F80000000FFFF80000000003F000000007FFF8000 0000007F000000007FFFC0000000007F000000007FFFC0000000007E000000003FFFC000 000000FE000000003FFFE000000000FC000000001FFFE000000001FC000000001FFFF000 000001FC000000001FFFF000000001F8000000000FFFF000000003F8000000000FFFF800 000003F00000000007FFF800000007F00000000007FFFC00000007F00000000007FFFC00 000007E00000000003FFFC0000000FE00000000003FFFE0000000FC00000000003FFFE00 00001FC00000000001FFFF000000FFFC0000000001FFFF0000FFFFFFF800000FFFFFFFFF E0FFFFFFF800000FFFFFFFFFE0FFFFFFF800000FFFFFFFFFE0FFFFFFF800000FFFFFFFFF E0FFFFFFF800000FFFFFFFFFE05B547BD366>65 DI<0000000001FF FC000001C0000000007FFFFFC00003C000000007FFFFFFF80007C00000003FFFFFFFFE00 1FC0000000FFFFFFFFFF803FC0000003FFFFE003FFC07FC000000FFFFC00003FF0FFC000 003FFFE000000FF9FFC000007FFF80000003FFFFC00001FFFE00000000FFFFC00003FFF8 000000007FFFC00007FFF0000000003FFFC0000FFFE0000000001FFFC0001FFFC0000000 000FFFC0003FFF800000000007FFC0007FFF000000000003FFC000FFFE000000000001FF C000FFFE000000000001FFC001FFFC000000000000FFC003FFF8000000000000FFC003FF F80000000000007FC007FFF00000000000007FC00FFFF00000000000003FC00FFFF00000 000000003FC01FFFE00000000000001FC01FFFE00000000000001FC01FFFE00000000000 001FC03FFFC00000000000001FC03FFFC00000000000000FC03FFFC00000000000000FC0 7FFFC00000000000000FC07FFFC00000000000000FC07FFFC000000000000000007FFF80 00000000000000007FFF800000000000000000FFFF800000000000000000FFFF80000000 0000000000FFFF800000000000000000FFFF800000000000000000FFFF80000000000000 0000FFFF800000000000000000FFFF800000000000000000FFFF800000000000000000FF FF800000000000000000FFFF800000000000000000FFFF800000000000000000FFFF8000 00000000000000FFFF800000000000000000FFFF8000000000000000007FFF8000000000 000000007FFF8000000000000000007FFFC000000000000000007FFFC000000000000000 007FFFC000000000000007C03FFFC000000000000007C03FFFC000000000000007C03FFF C000000000000007C01FFFE000000000000007C01FFFE000000000000007C01FFFE00000 000000000FC00FFFF00000000000000F800FFFF00000000000000F8007FFF00000000000 001F8003FFF80000000000001F8003FFF80000000000001F0001FFFC0000000000003F00 00FFFE0000000000007E0000FFFE0000000000007E00007FFF000000000000FC00003FFF 800000000001F800001FFFC00000000003F800000FFFE00000000007F0000007FFF00000 00000FE0000003FFFC000000001FC0000001FFFE000000007F800000007FFF80000000FF 000000003FFFE0000007FE000000000FFFFE00001FF80000000003FFFFE001FFF0000000 0000FFFFFFFFFFC000000000003FFFFFFFFF00000000000007FFFFFFFC00000000000000 7FFFFFE00000000000000001FFFC00000000525479D261>I69 DI73 D75 DI78 D<000000000FFFC00000000000000003FFFFFF000000000000001FFFFFFFE00000000000 00FFFFFFFFFC000000000003FFFC00FFFF00000000000FFFC0000FFFC0000000003FFF00 0003FFF0000000007FFC000000FFF800000001FFF80000007FFE00000003FFE00000001F FF00000007FFC00000000FFF8000000FFF8000000007FFC000001FFF0000000003FFE000 003FFF0000000003FFF000007FFE0000000001FFF80000FFFC0000000000FFFC0000FFFC 0000000000FFFC0001FFF800000000007FFE0003FFF800000000007FFF0003FFF0000000 00003FFF0007FFF000000000003FFF8007FFE000000000001FFF800FFFE000000000001F FFC00FFFE000000000001FFFC01FFFE000000000001FFFE01FFFC000000000000FFFE01F FFC000000000000FFFE03FFFC000000000000FFFF03FFFC000000000000FFFF03FFFC000 000000000FFFF07FFF80000000000007FFF87FFF80000000000007FFF87FFF8000000000 0007FFF87FFF80000000000007FFF87FFF80000000000007FFF8FFFF80000000000007FF FCFFFF80000000000007FFFCFFFF80000000000007FFFCFFFF80000000000007FFFCFFFF 80000000000007FFFCFFFF80000000000007FFFCFFFF80000000000007FFFCFFFF800000 00000007FFFCFFFF80000000000007FFFCFFFF80000000000007FFFCFFFF800000000000 07FFFCFFFF80000000000007FFFCFFFF80000000000007FFFCFFFF80000000000007FFFC FFFF80000000000007FFFC7FFF80000000000007FFF87FFFC000000000000FFFF87FFFC0 00000000000FFFF87FFFC000000000000FFFF87FFFC000000000000FFFF83FFFC0000000 00000FFFF03FFFC000000000000FFFF03FFFE000000000001FFFF01FFFE000000000001F FFE01FFFE000000000001FFFE01FFFE000000000001FFFE00FFFF000000000003FFFC00F FFF000000000003FFFC007FFF800000000007FFF8007FFF800000000007FFF8003FFF800 000000007FFF0001FFFC0000000000FFFE0001FFFE0000000001FFFE0000FFFE00000000 01FFFC00007FFF0000000003FFF800003FFF8000000007FFF000001FFFC00000000FFFE0 00000FFFE00000001FFFC0000007FFF00000003FFF80000003FFF80000007FFF00000001 FFFC000000FFFE00000000FFFF000003FFFC000000003FFFE0001FFFF0000000000FFFFC 00FFFFC00000000003FFFFFFFFFF000000000000FFFFFFFFFC0000000000001FFFFFFFE0 00000000000003FFFFFF00000000000000001FFFE000000000565479D265>II82 D<3FFFFFFFFFFFFFFFFF FF803FFFFFFFFFFFFFFFFFFF803FFFFFFFFFFFFFFFFFFF803FFFFFFFFFFFFFFFFFFF803F FFFFFFFFFFFFFFFFFF803FFFC0003FFFC0007FFF803FFE00003FFFC00007FF807FF80000 3FFFC00001FFC07FE000003FFFC00000FFC07FC000003FFFC000007FC07F8000003FFFC0 00003FC07F0000003FFFC000001FC07F0000003FFFC000001FC07E0000003FFFC000000F C07E0000003FFFC000000FC07E0000003FFFC000000FC07C0000003FFFC0000007C07C00 00003FFFC0000007C07C0000003FFFC0000007C07C0000003FFFC0000007C07C0000003F FFC0000007C0FC0000003FFFC0000007E0F80000003FFFC0000003E0F80000003FFFC000 0003E0F80000003FFFC0000003E0F80000003FFFC0000003E0F80000003FFFC0000003E0 F80000003FFFC0000003E0000000003FFFC000000000000000003FFFC000000000000000 003FFFC000000000000000003FFFC000000000000000003FFFC000000000000000003FFF C000000000000000003FFFC000000000000000003FFFC000000000000000003FFFC00000 0000000000003FFFC000000000000000003FFFC000000000000000003FFFC00000000000 0000003FFFC000000000000000003FFFC000000000000000003FFFC00000000000000000 3FFFC000000000000000003FFFC000000000000000003FFFC000000000000000003FFFC0 00000000000000003FFFC000000000000000003FFFC000000000000000003FFFC0000000 00000000003FFFC000000000000000003FFFC000000000000000003FFFC0000000000000 00003FFFC000000000000000003FFFC000000000000000003FFFC000000000000000003F FFC000000000000000003FFFC000000000000000003FFFC000000000000000003FFFC000 000000000000003FFFC000000000000000003FFFC000000000000000003FFFC000000000 000000003FFFC000000000000000003FFFC000000000000000003FFFC000000000000000 003FFFC000000000000000003FFFC000000000000000003FFFC000000000000000003FFF C000000000000000003FFFC000000000000000003FFFC000000000000000003FFFC00000 0000000000003FFFC000000000000000003FFFC000000000000000003FFFC00000000000 00FFFFFFFFFFFFF000000000FFFFFFFFFFFFF000000000FFFFFFFFFFFFF000000000FFFF FFFFFFFFF000000000FFFFFFFFFFFFF0000053517BD05E>84 DI<00007FFF000000000007FFFFF00000 00003FFFFFFE00000000FFFFFFFF80000001FFE00FFFC0000003FE0001FFF0000007FF00 00FFF8000007FF80003FFC00000FFF80003FFE00000FFFC0001FFE00000FFFC0001FFF00 000FFFC0000FFF80000FFFC0000FFF80000FFFC0000FFF800007FF800007FFC00007FF80 0007FFC00003FF000007FFC00001FE000007FFC0000000000007FFC0000000000007FFC0 000000000007FFC0000000000007FFC0000000000007FFC0000000000007FFC000000000 7FFFFFC00000000FFFFFFFC0000000FFFFFFFFC0000007FFFF87FFC000003FFFF007FFC0 00007FFF8007FFC00001FFFC0007FFC00003FFF00007FFC00007FFE00007FFC0000FFFC0 0007FFC0001FFF800007FFC0003FFF000007FFC0007FFF000007FFC0007FFE000007FFC0 007FFE000007FFC000FFFC000007FFC000FFFC000007FFC000FFFC000007FFC000FFFC00 0007FFC000FFFC00000FFFC000FFFC00000FFFC000FFFE00001FFFC0007FFE00001DFFC0 007FFE00003DFFC0003FFF000079FFE0001FFF8000F1FFF8000FFFC003E1FFFFE007FFF8 1FC0FFFFF003FFFFFF807FFFF000FFFFFF001FFFF0001FFFFC0007FFE00001FFE0000000 003C387CB641>97 D<003FF0000000000000FFFFF0000000000000FFFFF0000000000000 FFFFF0000000000000FFFFF0000000000000FFFFF000000000000003FFF0000000000000 00FFF000000000000000FFF000000000000000FFF000000000000000FFF0000000000000 00FFF000000000000000FFF000000000000000FFF000000000000000FFF0000000000000 00FFF000000000000000FFF000000000000000FFF000000000000000FFF0000000000000 00FFF000000000000000FFF000000000000000FFF000000000000000FFF0000000000000 00FFF000000000000000FFF000000000000000FFF000000000000000FFF0000000000000 00FFF000000000000000FFF000000000000000FFF001FFE000000000FFF00FFFFE000000 00FFF03FFFFFC0000000FFF0FFFFFFF0000000FFF3FF01FFF8000000FFF7F8003FFE0000 00FFFFE0000FFF000000FFFF800007FF800000FFFF000003FFC00000FFFE000001FFE000 00FFFC000001FFF00000FFF8000000FFF80000FFF8000000FFF80000FFF80000007FFC00 00FFF80000007FFC0000FFF80000007FFE0000FFF80000007FFE0000FFF80000007FFF00 00FFF80000003FFF0000FFF80000003FFF0000FFF80000003FFF0000FFF80000003FFF80 00FFF80000003FFF8000FFF80000003FFF8000FFF80000003FFF8000FFF80000003FFF80 00FFF80000003FFF8000FFF80000003FFF8000FFF80000003FFF8000FFF80000003FFF80 00FFF80000003FFF8000FFF80000003FFF8000FFF80000003FFF8000FFF80000003FFF00 00FFF80000003FFF0000FFF80000003FFF0000FFF80000003FFF0000FFF80000007FFE00 00FFF80000007FFE0000FFF80000007FFE0000FFF80000007FFC0000FFF8000000FFFC00 00FFF8000000FFF80000FFFC000001FFF00000FFFC000001FFF00000FFFE000003FFE000 00FFFF000007FFC00000FFFF80000FFF800000FFCFC0001FFF000000FF87F0007FFC0000 00FF03FE03FFF8000000FE00FFFFFFE0000000FC007FFFFF80000000F8001FFFFC000000 00000003FFC000000041547BD24B>I<000001FFF8000000001FFFFF80000000FFFFFFF0 000003FFFFFFFC00000FFFC00FFE00001FFE0001FF00007FFC0003FF8000FFF00007FF80 01FFF00007FFC003FFE0000FFFC003FFC0000FFFC007FFC0000FFFC00FFF80000FFFC00F FF80000FFFC01FFF800007FF801FFF000007FF803FFF000003FF003FFF000001FE007FFF 00000000007FFE00000000007FFE00000000007FFE0000000000FFFE0000000000FFFE00 00000000FFFE0000000000FFFE0000000000FFFE0000000000FFFE0000000000FFFE0000 000000FFFE0000000000FFFE0000000000FFFE0000000000FFFE0000000000FFFE000000 0000FFFE00000000007FFE00000000007FFF00000000007FFF00000000003FFF00000000 003FFF00000000003FFF00000003E01FFF80000003E01FFF80000007E00FFFC0000007C0 07FFC0000007C007FFE000000FC003FFE000001F8001FFF000003F0000FFF800007E0000 7FFE0000FC00003FFF0003F800000FFFE01FF0000003FFFFFFE0000000FFFFFF80000000 3FFFFE0000000001FFE0000033387CB63C>I<000000000001FF80000000000007FFFF80 000000000007FFFF80000000000007FFFF80000000000007FFFF80000000000007FFFF80 0000000000001FFF8000000000000007FF8000000000000007FF8000000000000007FF80 00000000000007FF8000000000000007FF8000000000000007FF8000000000000007FF80 00000000000007FF8000000000000007FF8000000000000007FF8000000000000007FF80 00000000000007FF8000000000000007FF8000000000000007FF8000000000000007FF80 00000000000007FF8000000000000007FF8000000000000007FF8000000000000007FF80 00000000000007FF8000000000000007FF8000000000000007FF8000000001FFE007FF80 0000001FFFFC07FF80000000FFFFFF07FF80000003FFFFFFC7FF8000000FFFE03FE7FF80 00001FFF0007F7FF8000007FFC0001FFFF800000FFF80000FFFF800001FFF000003FFF80 0003FFE000001FFF800007FFC000001FFF800007FFC000000FFF80000FFF8000000FFF80 001FFF8000000FFF80001FFF0000000FFF80003FFF0000000FFF80003FFF0000000FFF80 003FFF0000000FFF80007FFE0000000FFF80007FFE0000000FFF80007FFE0000000FFF80 007FFE0000000FFF8000FFFE0000000FFF8000FFFE0000000FFF8000FFFE0000000FFF80 00FFFE0000000FFF8000FFFE0000000FFF8000FFFE0000000FFF8000FFFE0000000FFF80 00FFFE0000000FFF8000FFFE0000000FFF8000FFFE0000000FFF8000FFFE0000000FFF80 00FFFE0000000FFF80007FFE0000000FFF80007FFE0000000FFF80007FFE0000000FFF80 003FFF0000000FFF80003FFF0000000FFF80003FFF0000000FFF80001FFF0000000FFF80 001FFF0000000FFF80000FFF8000000FFF80000FFF8000001FFF800007FFC000003FFF80 0003FFC000003FFF800001FFE000007FFF800000FFF00001FFFF8000007FF80003FFFFE0 00003FFE000FEFFFFF80000FFFC07FCFFFFF800007FFFFFF8FFFFF800001FFFFFE0FFFFF 8000003FFFF80FFFFF80000003FFC00FFE000041547CD24B>I<000003FFC0000000003F FFFC00000001FFFFFF00000007FFFFFFC000000FFF81FFE000003FFC007FF800007FF800 3FFC0000FFF0001FFE0001FFE0000FFE0003FFC00007FF0007FFC00007FF800FFF800003 FF800FFF800003FFC01FFF800001FFC01FFF000001FFC03FFF000001FFE03FFF000001FF E07FFF000000FFE07FFE000000FFE07FFE000000FFF07FFE000000FFF0FFFE000000FFF0 FFFE000000FFF0FFFE000000FFF0FFFE000000FFF0FFFFFFFFFFFFF0FFFFFFFFFFFFF0FF FFFFFFFFFFF0FFFFFFFFFFFFE0FFFE0000000000FFFE0000000000FFFE0000000000FFFE 0000000000FFFE0000000000FFFE00000000007FFE00000000007FFE00000000007FFF00 000000003FFF00000000003FFF00000000003FFF00000000E01FFF00000001F01FFF8000 0003F00FFF80000003F007FFC0000007E007FFC0000007E003FFE000000FC001FFF00000 1FC000FFF800003F80007FFC0000FF00001FFE0003FE00000FFFC03FF8000003FFFFFFF0 000000FFFFFFC00000001FFFFE0000000001FFF0000034387CB63D>I<0000003FFC0000 0003FFFF0000000FFFFFC000003FFFFFE00000FFF81FF00001FFC03FF80003FF807FF800 07FF00FFFC000FFE00FFFC001FFC00FFFC001FFC00FFFC003FF800FFFC003FF800FFFC00 3FF8007FF8007FF0007FF8007FF0003FF0007FF0000FC0007FF0000000007FF000000000 7FF0000000007FF0000000007FF0000000007FF0000000007FF0000000007FF000000000 7FF0000000007FF0000000007FF0000000007FF0000000007FF0000000007FF0000000FF FFFFFFE000FFFFFFFFE000FFFFFFFFE000FFFFFFFFE000FFFFFFFFE000007FF800000000 7FF8000000007FF8000000007FF8000000007FF8000000007FF8000000007FF800000000 7FF8000000007FF8000000007FF8000000007FF8000000007FF8000000007FF800000000 7FF8000000007FF8000000007FF8000000007FF8000000007FF8000000007FF800000000 7FF8000000007FF8000000007FF8000000007FF8000000007FF8000000007FF800000000 7FF8000000007FF8000000007FF8000000007FF8000000007FF8000000007FF800000000 7FF8000000007FF8000000007FF8000000007FF8000000007FF8000000007FF800000000 7FF8000000007FF8000000007FF8000000007FF8000000007FF8000000007FF80000007F FFFFFE00007FFFFFFE00007FFFFFFE00007FFFFFFE00007FFFFFFE00002E547CD329>I< 00003FFF0000FF000003FFFFF007FFC0000FFFFFFC1FFFE0003FFFFFFF7FFFE0007FFC0F FFFF9FF000FFE001FFF83FF001FFC000FFE03FF003FF80007FF01FF007FF00003FF81FE0 0FFF00003FFC0FC00FFF00003FFC07801FFE00001FFE00001FFE00001FFE00003FFE0000 1FFF00003FFE00001FFF00003FFE00001FFF00003FFE00001FFF00003FFE00001FFF0000 3FFE00001FFF00003FFE00001FFF00003FFE00001FFF00003FFE00001FFF00001FFE0000 1FFE00001FFE00001FFE00000FFF00003FFC00000FFF00003FFC000007FF00003FF80000 03FF80007FF0000001FFC000FFE0000000FFE001FFC0000000FFFC0FFF80000001FFFFFF FF00000003EFFFFFFC00000003C3FFFFF000000007C03FFF0000000007C0000000000000 07C00000000000000FC00000000000000FC00000000000000FC00000000000000FE00000 000000000FE00000000000000FF80000000000000FFE0000000000000FFFFFFFFF000000 07FFFFFFFFF8000007FFFFFFFFFF000007FFFFFFFFFFC00003FFFFFFFFFFE00001FFFFFF FFFFF00000FFFFFFFFFFF800007FFFFFFFFFFC00007FFFFFFFFFFE0001FFFFFFFFFFFF00 07FFFFFFFFFFFF000FFE000003FFFF801FF80000003FFF803FF000000007FF807FE00000 0003FFC07FE000000001FFC0FFC000000001FFC0FFC000000000FFC0FFC000000000FFC0 FFC000000000FFC0FFC000000000FFC0FFC000000000FFC0FFE000000001FFC07FE00000 0001FF807FF000000003FF803FF000000003FF001FF800000007FE000FFE0000001FFC00 07FF8000007FF80003FFE00001FFF00001FFFE001FFFE000007FFFFFFFFF8000000FFFFF FFFC00000001FFFFFFE0000000000FFFFC0000003C4F7CB543>I<007F000000FF800003 FFE00007FFF00007FFF0000FFFF8000FFFF8000FFFF8000FFFF8000FFFF8000FFFF8000F FFF80007FFF00007FFF00003FFE00000FF8000007F000000000000000000000000000000 000000000000000000000000000000000000000000000000000000000000000000000000 000000003FF000FFFFF000FFFFF000FFFFF000FFFFF000FFFFF00001FFF00000FFF00000 FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000 FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000 FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000 FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000 FFF00000FFF00000FFF00000FFF00000FFF000FFFFFFE0FFFFFFE0FFFFFFE0FFFFFFE0FF FFFFE01B547BD325>105 D<003FF00000000000FFFFF00000000000FFFFF00000000000 FFFFF00000000000FFFFF00000000000FFFFF0000000000003FFF0000000000000FFF000 0000000000FFF0000000000000FFF0000000000000FFF0000000000000FFF00000000000 00FFF0000000000000FFF0000000000000FFF0000000000000FFF0000000000000FFF000 0000000000FFF0000000000000FFF0000000000000FFF0000000000000FFF00000000000 00FFF0000000000000FFF0000000000000FFF0000000000000FFF0000000000000FFF000 0000000000FFF0000000000000FFF0000000000000FFF0000000000000FFF00000000000 00FFF00001FFFFF800FFF00001FFFFF800FFF00001FFFFF800FFF00001FFFFF800FFF000 01FFFFF800FFF000003FFE0000FFF000001FF00000FFF000003FC00000FFF000007F8000 00FFF00000FF000000FFF00003FE000000FFF00007F8000000FFF0000FF0000000FFF000 1FE0000000FFF0007FC0000000FFF000FF00000000FFF001FE00000000FFF003FC000000 00FFF00FF800000000FFF01FE000000000FFF03FF000000000FFF07FF800000000FFF1FF F800000000FFF3FFFC00000000FFF7FFFE00000000FFFFFFFF00000000FFFFFFFF800000 00FFFF9FFF80000000FFFF0FFFC0000000FFFE0FFFE0000000FFF807FFF0000000FFF003 FFF0000000FFF001FFF8000000FFF000FFFC000000FFF000FFFE000000FFF0007FFF0000 00FFF0003FFF000000FFF0001FFF800000FFF0001FFFC00000FFF0000FFFE00000FFF000 07FFF00000FFF00003FFF00000FFF00001FFF80000FFF00001FFFC0000FFF00000FFFE00 00FFF000007FFE0000FFF000003FFF0000FFF000007FFFC0FFFFFFF003FFFFFFFFFFFFF0 03FFFFFFFFFFFFF003FFFFFFFFFFFFF003FFFFFFFFFFFFF003FFFFFF40537CD247>107 D<003FF000FFFFF000FFFFF000FFFFF000FFFFF000FFFFF00001FFF00000FFF00000FFF0 0000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF0 0000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF0 0000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF0 0000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF0 0000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF0 0000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF0 0000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF00000FFF0 0000FFF00000FFF00000FFF00000FFF00000FFF00000FFF000FFFFFFF0FFFFFFF0FFFFFF F0FFFFFFF0FFFFFFF01C537BD225>I<003FF0001FFC000000FFE00000FFFFF000FFFFC0 0007FFFE0000FFFFF003FFFFF0001FFFFF8000FFFFF00FFFFFF8007FFFFFC000FFFFF01F E07FFC00FF03FFE000FFFFF03F001FFE01F800FFF00003FFF07C001FFF03E000FFF80000 FFF0F0000FFF0780007FF80000FFF1E0000FFF8F00007FFC0000FFF3C0000FFF9E00007F FC0000FFF7800007FFBC00003FFC0000FFF7800007FFFC00003FFE0000FFFF000007FFF8 00003FFE0000FFFE000007FFF000003FFE0000FFFE000007FFF000003FFE0000FFFC0000 07FFE000003FFE0000FFFC000007FFE000003FFE0000FFFC000007FFE000003FFE0000FF FC000007FFE000003FFE0000FFF8000007FFC000003FFE0000FFF8000007FFC000003FFE 0000FFF8000007FFC000003FFE0000FFF8000007FFC000003FFE0000FFF8000007FFC000 003FFE0000FFF8000007FFC000003FFE0000FFF8000007FFC000003FFE0000FFF8000007 FFC000003FFE0000FFF8000007FFC000003FFE0000FFF8000007FFC000003FFE0000FFF8 000007FFC000003FFE0000FFF8000007FFC000003FFE0000FFF8000007FFC000003FFE00 00FFF8000007FFC000003FFE0000FFF8000007FFC000003FFE0000FFF8000007FFC00000 3FFE0000FFF8000007FFC000003FFE0000FFF8000007FFC000003FFE0000FFF8000007FF C000003FFE0000FFF8000007FFC000003FFE0000FFF8000007FFC000003FFE0000FFF800 0007FFC000003FFE0000FFF8000007FFC000003FFE0000FFF8000007FFC000003FFE0000 FFF8000007FFC000003FFE0000FFF8000007FFC000003FFE0000FFF8000007FFC000003F FE0000FFF8000007FFC000003FFE0000FFF8000007FFC000003FFE0000FFF8000007FFC0 00003FFE00FFFFFFF807FFFFFFC03FFFFFFEFFFFFFF807FFFFFFC03FFFFFFEFFFFFFF807 FFFFFFC03FFFFFFEFFFFFFF807FFFFFFC03FFFFFFEFFFFFFF807FFFFFFC03FFFFFFE6736 7BB570>I<003FF0001FFC000000FFFFF000FFFFC00000FFFFF003FFFFF00000FFFFF00F FFFFF80000FFFFF01FE07FFC0000FFFFF03F001FFE000003FFF07C001FFF000000FFF0F0 000FFF000000FFF1E0000FFF800000FFF3C0000FFF800000FFF7800007FF800000FFF780 0007FFC00000FFFF000007FFC00000FFFE000007FFC00000FFFE000007FFC00000FFFC00 0007FFC00000FFFC000007FFC00000FFFC000007FFC00000FFFC000007FFC00000FFF800 0007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF800 0007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF800 0007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF800 0007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF800 0007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF800 0007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF800 0007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF800 0007FFC00000FFF8000007FFC000FFFFFFF807FFFFFFC0FFFFFFF807FFFFFFC0FFFFFFF8 07FFFFFFC0FFFFFFF807FFFFFFC0FFFFFFF807FFFFFFC042367BB54B>I<000001FFE000 000000001FFFFE0000000000FFFFFFC000000003FFFFFFF00000000FFF807FFC0000001F FC000FFE0000007FF80007FF800000FFF00003FFC00001FFE00001FFE00003FFC00000FF F00003FF8000007FF00007FF8000007FF8000FFF0000003FFC000FFF0000003FFC001FFF 0000003FFE001FFF0000003FFE003FFE0000001FFF003FFE0000001FFF003FFE0000001F FF007FFE0000001FFF807FFE0000001FFF807FFE0000001FFF807FFE0000001FFF80FFFE 0000001FFFC0FFFE0000001FFFC0FFFE0000001FFFC0FFFE0000001FFFC0FFFE0000001F FFC0FFFE0000001FFFC0FFFE0000001FFFC0FFFE0000001FFFC0FFFE0000001FFFC0FFFE 0000001FFFC0FFFE0000001FFFC0FFFE0000001FFFC07FFE0000001FFF807FFE0000001F FF807FFE0000001FFF803FFE0000001FFF003FFF0000003FFF003FFF0000003FFF001FFF 0000003FFE001FFF0000003FFE000FFF0000003FFC000FFF8000007FFC0007FF8000007F F80003FFC00000FFF00001FFE00001FFE00000FFF00003FFC000007FF80007FF8000003F FE001FFF0000000FFF807FFC00000007FFFFFFF800000000FFFFFFC0000000003FFFFF00 0000000001FFE00000003A387CB643>I<003FF001FFE0000000FFFFF00FFFFE000000FF FFF03FFFFFC00000FFFFF0FFFFFFF00000FFFFF3FF01FFF80000FFFFF7F8007FFE000003 FFFFE0001FFF000000FFFF80000FFF800000FFFF000007FFC00000FFFE000007FFE00000 FFFC000003FFF00000FFF8000001FFF80000FFF8000001FFF80000FFF8000000FFFC0000 FFF8000000FFFC0000FFF8000000FFFE0000FFF80000007FFE0000FFF80000007FFF0000 FFF80000007FFF0000FFF80000007FFF0000FFF80000007FFF0000FFF80000003FFF8000 FFF80000003FFF8000FFF80000003FFF8000FFF80000003FFF8000FFF80000003FFF8000 FFF80000003FFF8000FFF80000003FFF8000FFF80000003FFF8000FFF80000003FFF8000 FFF80000003FFF8000FFF80000003FFF8000FFF80000003FFF8000FFF80000003FFF0000 FFF80000007FFF0000FFF80000007FFF0000FFF80000007FFF0000FFF80000007FFE0000 FFF8000000FFFE0000FFF8000000FFFE0000FFF8000000FFFC0000FFF8000001FFFC0000 FFF8000001FFF80000FFFC000003FFF00000FFFC000003FFF00000FFFE000007FFE00000 FFFF00000FFFC00000FFFF80001FFF800000FFFFC0003FFF000000FFFFF000FFFC000000 FFFBFE07FFF8000000FFF8FFFFFFE0000000FFF87FFFFF80000000FFF81FFFFC00000000 FFF803FFC000000000FFF800000000000000FFF800000000000000FFF800000000000000 FFF800000000000000FFF800000000000000FFF800000000000000FFF800000000000000 FFF800000000000000FFF800000000000000FFF800000000000000FFF800000000000000 FFF800000000000000FFF800000000000000FFF800000000000000FFF800000000000000 FFF800000000000000FFF8000000000000FFFFFFF80000000000FFFFFFF80000000000FF FFFFF80000000000FFFFFFF80000000000FFFFFFF80000000000414D7BB54B>I<007FE0 03FE00FFFFE00FFF80FFFFE03FFFE0FFFFE07FFFF0FFFFE0FE1FF8FFFFE1F83FFC03FFE3 E03FFE00FFE3C07FFE00FFE7807FFE00FFEF807FFE00FFEF007FFE00FFEE007FFE00FFFE 003FFC00FFFC003FFC00FFFC001FF800FFFC000FF000FFF800000000FFF800000000FFF8 00000000FFF800000000FFF800000000FFF000000000FFF000000000FFF000000000FFF0 00000000FFF000000000FFF000000000FFF000000000FFF000000000FFF000000000FFF0 00000000FFF000000000FFF000000000FFF000000000FFF000000000FFF000000000FFF0 00000000FFF000000000FFF000000000FFF000000000FFF000000000FFF000000000FFF0 00000000FFF000000000FFF000000000FFF000000000FFF000000000FFF000000000FFF0 000000FFFFFFFC0000FFFFFFFC0000FFFFFFFC0000FFFFFFFC0000FFFFFFFC00002F367C B537>114 D<0003FFF00F00003FFFFE1F0000FFFFFFFF0003FFFFFFFF0007FF003FFF00 0FF80007FF001FE00001FF003FC00000FF003F8000007F007F8000007F007F0000003F00 7F0000003F00FF0000001F00FF0000001F00FF8000001F00FF8000001F00FFC000001F00 FFF000000000FFFC00000000FFFFC00000007FFFFF0000007FFFFFF800003FFFFFFF0000 3FFFFFFFC0001FFFFFFFF0000FFFFFFFF80007FFFFFFFC0003FFFFFFFE0000FFFFFFFF00 003FFFFFFF80000FFFFFFFC00000FFFFFFC0000007FFFFE00000003FFFE000000007FFF0 00000001FFF0780000007FF0F80000003FF0F80000001FF0FC0000001FF0FC0000000FF0 FC0000000FF0FE0000000FF0FE0000000FE0FF0000000FE0FF8000001FE0FF8000001FC0 FFC000001FC0FFE000003F80FFF800007F00FFFE0001FE00FFFFC00FFC00FF7FFFFFF800 FC1FFFFFE000F807FFFF8000F000FFF800002C387CB635>I<00003E00000000003E0000 0000003E00000000003E00000000003E00000000003E00000000007E00000000007E0000 0000007E00000000007E0000000000FE0000000000FE0000000001FE0000000001FE0000 000001FE0000000003FE0000000007FE0000000007FE000000000FFE000000001FFE0000 00003FFE00000000FFFE00000001FFFE0000000FFFFFFFFF00FFFFFFFFFF00FFFFFFFFFF 00FFFFFFFFFF00FFFFFFFFFF00003FFE000000003FFE000000003FFE000000003FFE0000 00003FFE000000003FFE000000003FFE000000003FFE000000003FFE000000003FFE0000 00003FFE000000003FFE000000003FFE000000003FFE000000003FFE000000003FFE0000 00003FFE000000003FFE000000003FFE000000003FFE000000003FFE000000003FFE0000 00003FFE000000003FFE000000003FFE000000003FFE000000003FFE000000003FFE0007 C0003FFE0007C0003FFE0007C0003FFE0007C0003FFE0007C0003FFE0007C0003FFE0007 C0003FFE0007C0003FFE0007C0003FFE0007C0003FFE0007C0001FFE000F80001FFF000F 80001FFF000F80000FFF001F00000FFF801F000007FFC03E000003FFF0FC000001FFFFF8 0000007FFFF00000001FFFE000000003FF80002A4D7ECB34>I<003FF8000001FFC000FF FFF80007FFFFC000FFFFF80007FFFFC000FFFFF80007FFFFC000FFFFF80007FFFFC000FF FFF80007FFFFC00003FFF800001FFFC00000FFF8000007FFC00000FFF8000007FFC00000 FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000 FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000 FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000 FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000 FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000 FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000 FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000FFF8000007FFC00000 FFF8000007FFC00000FFF8000007FFC00000FFF800000FFFC00000FFF800000FFFC00000 FFF800000FFFC00000FFF800001FFFC00000FFF800001FFFC000007FF800003FFFC00000 7FF800003BFFC000007FF800007BFFC000003FFC0000F3FFC000003FFC0001E3FFF00000 1FFE0007C3FFFFC0000FFFC03F83FFFFC00007FFFFFF03FFFFC00001FFFFFE03FFFFC000 007FFFF803FFFFC0000007FFE003FF000042377BB54B>I<7FFFFFF0007FFFFE007FFFFF F0007FFFFE007FFFFFF0007FFFFE007FFFFFF0007FFFFE007FFFFFF0007FFFFE00007FFE 00000FFF0000003FFF000007F80000001FFF800007F00000000FFFC0000FE000000007FF C0001FC000000007FFE0003F8000000003FFF0003F0000000001FFF8007E0000000000FF FC00FC00000000007FFE01FC00000000007FFE03F800000000003FFF07F000000000001F FF8FE000000000000FFFCFC0000000000007FFFF80000000000003FFFF00000000000003 FFFF00000000000001FFFE00000000000000FFFC000000000000007FFE00000000000000 3FFF000000000000003FFF000000000000001FFF800000000000001FFFC0000000000000 3FFFE00000000000007FFFF0000000000000FFFFF0000000000001FDFFF8000000000001 F8FFFC000000000003F07FFE000000000007E03FFF00000000000FE01FFF00000000001F C01FFF80000000003F800FFFC0000000007F0007FFE000000000FE0003FFF000000000FC 0001FFF800000001F80001FFF800000003F00000FFFC00000007F000007FFE0000000FE0 00003FFF0000001FC000001FFF800000FFF000001FFF8000FFFFFE0001FFFFFFC0FFFFFE 0001FFFFFFC0FFFFFE0001FFFFFFC0FFFFFE0001FFFFFFC0FFFFFE0001FFFFFFC042357E B447>120 DI<1FFFFFFFFFFF001FFFFFFFFFFF801FFFFFFFFF FF801FFFFFFFFFFF801FFF80007FFF001FFC0000FFFF001FF00001FFFE001FE00001FFFC 001FC00003FFF8001F800007FFF8001F80000FFFF0003F00000FFFE0003F00001FFFE000 3F00003FFFC0003F00003FFF80003E00007FFF00003E0000FFFF00003E0001FFFE00003E 0001FFFC00003E0003FFF800003E0007FFF8000000000FFFF0000000000FFFE000000000 1FFFC0000000003FFFC0000000007FFF80000000007FFF0000000000FFFF0000000001FF FE0000000001FFFC0000000003FFF8000F800007FFF8000F80000FFFF0000F80000FFFE0 000F80001FFFC0000F80003FFFC0001F80007FFF80001F00007FFF00001F0000FFFE0000 1F0001FFFE00003F0003FFFC00003F0003FFF800003F0007FFF800007F000FFFF000007F 000FFFE00000FF001FFFC00001FF003FFFC00007FF007FFF80000FFE007FFF0000FFFE00 FFFFFFFFFFFE00FFFFFFFFFFFE00FFFFFFFFFFFE007FFFFFFFFFFE0031357CB43C>I E /Fn 6 85 df<00000000FFC000380000000FFFF000780000007FFFFC00F0000001FF80 3F01F0000007FC000781F000001FE00003C3F000007FC00001E7F00000FF000000FFF000 01FE0000007FE00007FC0000003FE0000FF80000003FE0001FF00000001FE0003FE00000 001FE0007FC00000000FE000FF800000000FC000FF8000000007C001FF0000000007C003 FE0000000007C003FE0000000007C007FC0000000007C00FFC0000000007800FF8000000 0003801FF80000000003801FF80000000003803FF00000000007803FF00000000007803F F00000000000007FE00000000000007FE00000000000007FE00000000000007FE0000000 000000FFE0000000000000FFC0000000000000FFC0000000000000FFC0000000000000FF C0000000000000FFC0000000000000FFC0000000000000FFC0000000000000FF80000000 000000FF80000000000000FF80000000001C00FF80000000003C00FF80000000003800FF 80000000003800FFC00000000038007FC00000000078007FC00000000070007FC0000000 00F0003FC000000000E0003FE000000001E0003FE000000001C0001FE000000003C0000F F00000000780000FF000000007000007F80000000F000003FC0000001E000001FE000000 3C000000FF000000F80000007F800001F00000003FC00007C00000001FF0001F80000000 07FE00FE0000000001FFFFF800000000007FFFE0000000000007FE000000003D4276BF42 >67 D<003FFFFFFFFFFFF8003FFFFFFFFFFFF8003FFFFFFFFFFFF800007FF000007FF800 003FE000000FF800003FE0000003F800003FC0000001F800003FC0000000F800003FC000 0000F800003FC0000000F800003FC00000007800007FC00000007800007F800000007000 007F800000007000007F800000007000007F800000007000007F80000000700000FF8000 3800700000FF00003800700000FF00003800700000FF00003800700000FF000038000000 00FF00007800000001FF00007000000001FE0000F000000001FE0001F000000001FE0003 F000000001FE000FF000000001FFFFFFF000000003FFFFFFE000000003FFFFFFE0000000 03FC001FE000000003FC0007E000000003FC0003E000000003FC0001E000000007FC0001 C000000007F80001C000000007F80001C000000007F80001C000700007F80001C000F000 07F80001C000E0000FF800038000E0000FF000000001E0000FF000000001C0000FF00000 0001C0000FF000000003C0000FF00000000380001FF00000000780001FE0000000078000 1FE00000000F00001FE00000000F00001FE00000001F00001FE00000001E00003FE00000 003E00003FC00000007E00003FC0000001FC00003FC0000003FC00007FC000000FFC0000 FFC00000FFF800FFFFFFFFFFFFF800FFFFFFFFFFFFF800FFFFFFFFFFFFF0003D3E7DBD3E >69 D<003FFFE000003FFFFF003FFFF000003FFFFE003FFFF000003FFFFE00003FF80000 03FFC000001FF8000000FF0000003FFC0000007C0000003BFC0000003C0000003BFE0000 003800000039FE0000003800000039FF0000003800000038FF0000007800000078FF8000 0078000000707F80000070000000707FC0000070000000703FC0000070000000703FE000 0070000000701FE00000F0000000F01FF00000F0000000E00FF00000E0000000E00FF800 00E0000000E007F80000E0000000E007FC0000E0000000E003FC0001E0000001E003FE00 01E0000001C001FE0001C0000001C001FF0001C0000001C000FF0001C0000001C000FF80 01C0000001C0007F8003C0000003C0007FC003C000000380003FC0038000000380003FE0 038000000380001FE0038000000380001FF0038000000380000FF0078000000780000FF8 0780000007000007F80700000007000007FC0700000007000003FC0700000007000003FE 0700000007000001FE0F0000000F000001FF0F0000000E000000FF0E0000000E000000FF 8E0000000E0000007F8E0000000E0000007FCE0000000E0000003FDE0000001E0000003F FE0000001C0000001FFC0000001C0000001FFC0000001C0000000FFC0000001C0000000F FC0000001C00000007FC0000003C00000007FC0000003800000003F80000003C00000003 F80000007C00000001F8000000FE00000001F8000007FF80000000F80000FFFFFC000000 F80000FFFFFC000000700000FFFFF8000000700000483E7DBD44>78 D<00000003FF8000000000001FFFF00000000000FE01FE0000000003F0003F000000000F C0001FC00000003F800007E00000007E000003F0000001FC000001F8000003F8000001FC 000007F0000000FE00000FE00000007F00001FC00000007F00003FC00000007F80007F80 0000003FC000FF000000003FC000FF000000003FC001FE000000001FE003FE000000001F E003FC000000001FE007FC000000001FF007F8000000001FF00FF8000000001FF00FF800 0000001FF01FF0000000001FF01FF0000000001FF83FF0000000001FF83FE0000000001F F83FE0000000001FF87FE0000000001FF87FE0000000001FF87FE0000000001FF0FFC000 0000003FF0FFC0000000003FF0FFC0000000003FF0FFC0000000003FF0FFC0000000003F F0FFC0000000007FE0FFC0000000007FE0FFC0000000007FE0FF80000000007FE0FF8000 000000FFC0FF8000000000FFC0FF8000000000FF80FF8000000001FF80FF8000000001FF 00FFC000000001FF00FFC000000003FE007FC000000003FE007FC000000007FC007FC000 000007F8003FC00000000FF8003FE00000000FF0001FE00000001FE0001FE00000003FC0 000FF00000007F80000FF00000007F000007F8000000FE000003F8000001FC000001FC00 0003F8000000FE000007F00000007F00001FC00000003F80003F800000000FE000FE0000 000003F807F80000000000FFFFC000000000000FFC000000003D4276BF47>I<000000FF 800380000007FFF0078000001FFFFC0F0000007F00FE0F000000FC001F1F000003F00007 BF000007E00003FF00000FC00001FF00000F800000FE00001F000000FE00003F0000007E 00003E0000007E00007E0000007E00007E0000003E0000FC0000003C0000FC0000003C00 00FC0000003C0000FC0000003C0000FC0000003C0000FE0000003C0000FE000000380000 FE000000380000FF000000000000FF800000000000FFC00000000000FFE000000000007F FE00000000007FFFE0000000003FFFFE000000003FFFFFC00000001FFFFFF00000000FFF FFFC00000003FFFFFE00000000FFFFFF000000003FFFFF0000000003FFFF80000000003F FFC00000000003FFC00000000000FFC000000000007FE000000000003FE000000000001F E000000000001FE000000000000FE0001C0000000FE0001C0000000FE0001C0000000FE0 001C00000007E0001C0000000FE0003C0000000FC0003C0000000FC0003C0000000FC000 3C0000000F80003E0000001F80003E0000001F00007E0000003F00007F0000003E00007F 8000007C00007F800000FC00007FE00001F800007DF00003F00000FCFC000FC00000F87F 803F800000F01FFFFE000000E007FFF8000000C0007FC000000031427BBF33>83 D<07FFFFFFFFFFFFF007FFFFFFFFFFFFF007FFFFFFFFFFFFF00FFE000FF8003FF00FF000 0FF8000FF00FC0000FF00003F01F80000FF00001F01F00000FF00001F01E00000FF00001 F01E00000FF00000E03C00001FF00000E03C00001FE00000E03800001FE00000E0380000 1FE00000E07800001FE00000E07000001FE00000E07000003FE00000E07000003FC00000 E0E000003FC00000E0E000003FC00000E0E000003FC00000E00000003FC0000000000000 7FC00000000000007F800000000000007F800000000000007F800000000000007F800000 000000007F80000000000000FF80000000000000FF00000000000000FF00000000000000 FF00000000000000FF00000000000000FF00000000000001FF00000000000001FE000000 00000001FE00000000000001FE00000000000001FE00000000000001FE00000000000003 FE00000000000003FC00000000000003FC00000000000003FC00000000000003FC000000 00000003FC00000000000007FC00000000000007F800000000000007F800000000000007 F800000000000007F800000000000007F80000000000000FF80000000000000FF0000000 0000000FF00000000000000FF00000000000001FF00000000000007FFC0000000003FFFF FFFF00000003FFFFFFFF00000003FFFFFFFF0000003C3D76BC42>I E /Fo 11 107 df<7FFFFFFFFFFFFEFFFFFFFFFFFFFFFFFFFFFFFFFFFF7FFFFFFFFFFFFE 3804799847>0 D<000000007FFE0000000000000007FFFFE00000000000003FFFFFFC00 0000000000FFFFFFFF000000000003FFC003FFC0000000000FFC00003FF0000000003FE0 000007FC000000007F80000001FE00000001FE000000007F80000003F8000000001FC000 0007E00000000007E000000FC00000000003F000001F800000000001F800003F00000000 0000FC00007E0000000000007E0000FC0000000000003F0000F80000000000001F0001F0 0000000000000F8003F00000000000000FC003E000000000000007C007C0000000000000 03E007C000000000000003E00F8000000000000001F00F8000000000000001F01F000000 0000000000F81F0000000000000000F81E0000000000000000783E00000000000000007C 3E00000000000000007C3C00000000000000003C7C00000000000000003E7C0000000000 0000003E7800000000000000001E7800000000000000001E7800000000000000001EF800 000000000000001FF800000000000000001FF000000000000000000FF000000000000000 000FF000000000000000000FF000000000000000000FF000000000000000000FF0000000 00000000000FF000000000000000000FF000000000000000000FF000000000000000000F F000000000000000000FF000000000000000000FF800000000000000001FF80000000000 0000001F7800000000000000001E7800000000000000001E7800000000000000001E7C00 000000000000003E7C00000000000000003E3C00000000000000003C3E00000000000000 007C3E00000000000000007C1E0000000000000000781F0000000000000000F81F000000 0000000000F80F8000000000000001F00F8000000000000001F007C000000000000003E0 07C000000000000003E003E000000000000007C003F00000000000000FC001F000000000 00000F8000F80000000000001F0000FC0000000000003F00007E0000000000007E00003F 000000000000FC00001F800000000001F800000FC00000000003F0000007E00000000007 E0000003F8000000001FC0000001FE000000007F800000007F80000001FE000000003FE0 000007FC000000000FFC00003FF00000000003FFC003FFC00000000000FFFFFFFF000000 0000003FFFFFFC00000000000007FFFFE0000000000000007FFE0000000050557BC05B> 13 D<0000000000000E0000000000003F000000000000FF000000000003FE0000000000 0FF800000000003FE00000000000FF800000000003FE00000000000FF800000000003FE0 0000000000FF800000000003FE00000000000FF800000000007FE00000000001FF800000 000007FE00000000001FF800000000007FC00000000001FF000000000007FC0000000000 1FF000000000007FC00000000001FF000000000007FC00000000001FF000000000007FC0 0000000000FF000000000000FF0000000000007FC000000000001FF0000000000007FC00 0000000001FF0000000000007FC000000000001FF0000000000007FC000000000001FF00 00000000007FC000000000001FF0000000000007FE000000000001FF8000000000007FE0 00000000001FF8000000000003FE000000000000FF8000000000003FE000000000000FF8 000000000003FE000000000000FF8000000000003FE000000000000FF8000000000003FE 000000000000FF0000000000003F0000000000000E000000000000000000000000000000 000000000000000000000000000000000000000000000000000000000000000000000000 000000000000000000000000000000000000000000000000000000000000000000000000 00000000000000000000007FFFFFFFFFFFFEFFFFFFFFFFFFFFFFFFFFFFFFFFFF7FFFFFFF FFFFFE384879B947>20 D<001FE00000000020007FF8000000007001FFFE000000007003 FFFF800000007007FFFFC0000000700FFFFFF0000000700FE01FF8000000701F8007FC00 0000F03E0001FE000000E03C00007F000001E07C00003FC00003E07800000FE00003C070 000007F80007C0F0000003FE001F80E0000001FF807F00E0000000FFFFFF00E00000003F FFFE00E00000001FFFFC00E000000007FFF800E000000001FFE00040000000007F80003C 157BA047>24 D<001FE0000000002000FFFC000000007001FFFF000000007007FFFFC000 0000700FFFFFF0000000701FFFFFF8000000701FE01FFE000000F03F0003FF000001E07E 0000FFC00001E07800003FF00007E07800000FFC000FC0F0000007FF807F80E0000001FF FFFF80E0000000FFFFFF00E00000003FFFFE00E00000000FFFF800E000000003FFF00040 000000007F80000000000000000000000000000000000000000000000000000000000000 000000001FE0000000002000FFFC000000007001FFFF000000007007FFFFC0000000700F FFFFF0000000701FFFFFF8000000701FE01FFE000000F03F0003FF000001E07E0000FFC0 0001E07800003FF00007E07800000FFC000FC0F0000007FF807F80E0000001FFFFFF80E0 000000FFFFFF00E00000003FFFFE00E00000000FFFF800E000000003FFF0004000000000 7F80003C287BAB47>I<00000000000060000006000000000001F000001F000000000007 F000007F00000000000FE00000FE00000000003FC00003FC0000000000FF00000FF00000 000003FC00003FC00000000007F800007F80000000001FE00001FE00000000007F800007 F80000000001FE00001FE00000000003FC00003FC0000000000FF00000FF00000000003F C00003FC00000000007F800007F80000000001FE00001FE00000000007F800007F800000 00000FE00000FE00000000003FC00003FC0000000000FF00000FF00000000003FC00003F C00000000007F000007F00000000001FE00001FE00000000007F800007F80000000001FE 00001FE00000000003FC00003FC0000000000FF00000FF00000000003FC00003FC000000 00007F000007F00000000000FE00000FE00000000000FE00000FE000000000007F000007 F000000000003FC00003FC00000000000FF00000FF000000000003FC00003FC000000000 01FE00001FE000000000007F800007F800000000001FE00001FE000000000007F000007F 000000000003FC00003FC00000000000FF00000FF000000000003FC00003FC0000000000 1FE00001FE000000000007F800007F800000000001FE00001FE000000000007F000007F0 00000000003FC00003FC00000000000FF00000FF000000000003FC00003FC00000000001 FE00001FE000000000007F800007F800000000001FE00001FE000000000007F800007F80 0000000003FC00003FC00000000000FF00000FF000000000003FC00003FC00000000001F E00001FE000000000007F000007F000000000001F000001F00000000000060000006503C 7BB45B>28 D<0000003F000003FF00000FE000003F8000007E000001FC000001F8000003 F0000003F0000007E0000007E0000007E0000007E0000007E0000007E0000007E0000007 E0000007E0000007E0000007E0000007E0000007E0000007E0000007E0000007E0000007 E0000007E0000007E0000007E0000007E0000007E0000007E0000007E0000007E0000007 E0000007E0000007E000000FE000000FC000001FC000003F8000003F000000FE000003F8 00007FE00000FF0000007FE0000003F8000000FE0000003F0000003F8000001FC000000F C000000FE0000007E0000007E0000007E0000007E0000007E0000007E0000007E0000007 E0000007E0000007E0000007E0000007E0000007E0000007E0000007E0000007E0000007 E0000007E0000007E0000007E0000007E0000007E0000007E0000007E0000007E0000007 E0000007E0000007E0000003F0000003F0000001F8000001FC0000007E0000003F800000 0FE0000003FF0000003F205B7AC32D>102 DI<0000600000F0 0001F00001F00001E00003E00003E00003C00007C00007C0000F80000F80000F00001F00 001F00001E00003E00003E00007C00007C0000780000F80000F80000F00001F00001F000 01E00003E00003E00007C00007C0000780000F80000F80000F00001F00001F00003E0000 3E00003C00007C00007C0000780000F80000F80000F80000F800007800007C00007C0000 3C00003E00003E00001F00001F00000F00000F80000F800007800007C00007C00003E000 03E00001E00001F00001F00000F00000F80000F800007800007C00007C00003E00003E00 001E00001F00001F00000F00000F80000F800007C00007C00003C00003E00003E00001E0 0001F00001F00000F0000060145A77C323>I<600000F00000F80000F800007800007C00 007C00003C00003E00003E00001F00001F00000F00000F80000F800007800007C00007C0 0003E00003E00001E00001F00001F00000F00000F80000F800007800007C00007C00003E 00003E00001E00001F00001F00000F00000F80000F800007C00007C00003C00003E00003 E00001E00001F00001F00001F00001F00001E00003E00003E00003C00007C00007C0000F 80000F80000F00001F00001F00001E00003E00003E00007C00007C0000780000F80000F8 0000F00001F00001F00001E00003E00003E00007C00007C0000780000F80000F80000F00 001F00001F00003E00003E00003C00007C00007C0000780000F80000F80000F000006000 00145A7BC323>I<60F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0 F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0 F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F0F060045B76C319>I E /Fp 93 127 df<00000000E00000000000000001F00000000000000001F00000000000 000003F80000000000000003F80000000000000007FC0000000000000007FC0000000000 00000FFE000000000000000FFE000000000000001DFF000000000000001DFF0000000000 000038FF8000000000000038FF80000000000000787FC0000000000000707FC000000000 0000F03FE0000000000000E03FE0000000000001E01FF0000000000001C01FF000000000 0003C00FF8000000000003800FF80000000000078007FC0000000000070007FC00000000 000F0003FE00000000000E0003FE00000000001E0001FF00000000001C0001FF00000000 003C0000FF8000000000380000FF80000000007800007FC0000000007000007FC0000000 00F000003FE000000000E000003FE000000001E000001FF000000001C000001FF0000000 03C000000FF8000000038000000FF80000000780000007FC0000000700000007FC000000 0F00000003FE0000000E00000003FE0000001E00000001FF0000001C00000001FF000000 3C00000000FF8000003800000000FF80000078000000007FC0000070000000007FC00000 F0000000003FE00000E0000000003FE00001E0000000001FF00001C0000000001FF00003 C0000000000FF8000380000000000FF80007800000000007FC0007000000000007FC000F 000000000003FE000E000000000003FE001E000000000001FF001FFFFFFFFFFFFFFF003F FFFFFFFFFFFFFF803FFFFFFFFFFFFFFF807FFFFFFFFFFFFFFFC07FFFFFFFFFFFFFFFC0FF FFFFFFFFFFFFFFE0FFFFFFFFFFFFFFFFE043417CC04C>1 D<000001FF000FE00000001F FFE03FFC0000007F00F8FC1E000001FC003FF03F000007F0007FE07F80000FE000FFE0FF 80001FC001FFC0FF80003F8001FF80FF80007F8001FF80FF80007F0001FF807F00007F00 01FF003E0000FE0000FF00000000FE00007F00000000FE00007F00000000FE00007F0000 0000FE00007F00000000FE00007F00000000FE00007F00000000FE00007F00000000FE00 007F00000000FE00007F00000000FE00007F00000000FE00007F00000000FE00007F0000 0000FE00007F000000FFFFFFFFFFFF8000FFFFFFFFFFFF8000FFFFFFFFFFFF800000FE00 007F00000000FE00007F00000000FE00007F00000000FE00007F00000000FE00007F0000 0000FE00007F00000000FE00007F00000000FE00007F00000000FE00007F00000000FE00 007F00000000FE00007F00000000FE00007F00000000FE00007F00000000FE00007F0000 0000FE00007F00000000FE00007F00000000FE00007F00000000FE00007F00000000FE00 007F00000000FE00007F00000000FE00007F00000000FE00007F00000000FE00007F0000 0000FE00007F00000000FE00007F00000000FE00007F00000000FE00007F00000000FE00 007F00000000FE00007F00000000FE00007F00000000FE00007F00000000FE00007F0000 0001FF0000FF8000007FFFFC3FFFFF80007FFFFC3FFFFF80007FFFFC3FFFFF800039407F BF35>11 D<000001FF000000001FFFC00000007F01F0000001FC0078000007F0001C0000 0FE0003E00001FC000FF00003F8001FF00007F8001FF00007F0001FF00007F0001FF0000 FE0001FF0000FE0000FE0000FE0000380000FE0000000000FE0000000000FE0000000000 FE0000000000FE0000000000FE0000000000FE0000000000FE0000000000FE0000000000 FE0000000000FE00007F00FFFFFFFFFF00FFFFFFFFFF00FFFFFFFFFF0000FE0001FF0000 FE0000FF0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000 FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000 FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000 FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000 FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000 FE00007F0001FF0000FF807FFFFC3FFFFE7FFFFC3FFFFE7FFFFC3FFFFE2F407FBF33>I< 000001FF800000001FFFF70000007F00FF000001F800FF000007F001FF00000FE001FF00 001FC001FF00003F8001FF00007F8001FF00007F0001FF00007F0000FF0000FE00007F00 00FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F00 00FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F00 00FE00007F00FFFFFFFFFF00FFFFFFFFFF00FFFFFFFFFF0000FE00007F0000FE00007F00 00FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F00 00FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F00 00FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F00 00FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F00 00FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F0000FE00007F00 01FF0000FF807FFFFC3FFFFE7FFFFC3FFFFE7FFFFC3FFFFE2F407FBF33>I<000001FF00 00FF800000001FFFC00FFFE00000007F01F03F80F8000001F80078FE003C000007F0003F F8000E00000FE0007FF0001F00001FC000FFE0007F80003F8001FFC000FF80007F8001FF C000FF80007F0001FF8000FF80007F0001FF8000FF8000FE0001FF0000FF8000FE0000FF 00007F0000FE00007F00001C0000FE00007F0000000000FE00007F0000000000FE00007F 0000000000FE00007F0000000000FE00007F0000000000FE00007F0000000000FE00007F 0000000000FE00007F0000000000FE00007F0000000000FE00007F0000000000FE00007F 00003F80FFFFFFFFFFFFFFFF80FFFFFFFFFFFFFFFF80FFFFFFFFFFFFFFFF8000FE00007F 0000FF8000FE00007F00007F8000FE00007F00003F8000FE00007F00003F8000FE00007F 00003F8000FE00007F00003F8000FE00007F00003F8000FE00007F00003F8000FE00007F 00003F8000FE00007F00003F8000FE00007F00003F8000FE00007F00003F8000FE00007F 00003F8000FE00007F00003F8000FE00007F00003F8000FE00007F00003F8000FE00007F 00003F8000FE00007F00003F8000FE00007F00003F8000FE00007F00003F8000FE00007F 00003F8000FE00007F00003F8000FE00007F00003F8000FE00007F00003F8000FE00007F 00003F8000FE00007F00003F8000FE00007F00003F8000FE00007F00003F8000FE00007F 00003F8000FE00007F00003F8000FE00007F00003F8000FE00007F00003F8001FF0000FF 80007FC07FFFFC3FFFFE1FFFFF7FFFFC3FFFFE1FFFFF7FFFFC3FFFFE1FFFFF48407FBF4C >I<01FC007FFC007FFC007FFC0007FC0003FC0001FC0001FC0001FC0001FC0001FC0001 FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001 FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001 FC0003FE00FFFFF0FFFFF0FFFFF014287DA71A>16 D<60000678001EFC003F3F00FC1F81 F80FE7F003FFC001FF8000FF00003C00001800180B76B92D>20 D22 D<03E0000FF8003C1E00700700700700E00380E00380E00380E0 0380E00380E003807007007007003C1E000FF80003E000111067C044>I<01FC0001FC00 01FC0001FFC0001FE00007F80003F80003FC0001FC0001FC0003FC0003F8000FF0007FE0 FFFF80FFF0001610757D28>I<1E007F80FFC0FFC0FFC0FFC0FFC0FFC0FFC0FFC0FFC07F 807F807F807F807F807F807F807F807F807F807F807F803F003F003F003F003F003F003F 003F003F003F003F003F001E001E001E001E001E001E001E001E001E001E001E000C0000 0000000000000000000000000000001E007F807F80FFC0FFC0FFC0FFC07F807F801E000A 4179C019>33 D<1E000F007F803FC0FF807FC0FFC07FE0FFC07FE0FFE07FF0FFE07FF0FF E07FF07FE03FF01E600F300060003000600030006000300060003000E0007000C0006000 C0006000C0006001C000E0018000C0038001C003000180070003800E0007001C000E0018 000C0038001C00300018001C1C7DBE2D>I<00000FC00000000000003FF0000000000000 F878000000000001F01C000000000003E01C000000000007C00E00000000000FC00E0000 0000000F800F00000000001F800700000000001F800700000000003F000700000000003F 000700000000003F000700000000003F000700000000003F000700000000003F800E0000 0000003F800E00000000003F801C00000000003F801C00000000003F803800000000003F 803800000000003F807000000000001FC0E000000000001FC1C000000000001FC1C00000 0000001FC38000000000001FE700007FFFFC000FEE00007FFFFC000FFC00007FFFFC000F F8000007FFC00007F0000001FE000007F8000001FC000007F8000000F0000003FC000000 F0000003FC000001E0000007FE000001C000000FFE000003C000001DFF00000780000038 FF000007000000707F80000F000000E07F80000E000001C03FC0001E000003C03FE0001C 000007801FE0003C00000F801FF0007800001F800FF8007000003F0007F800F000003F00 07FC01E000007F0003FE01C000007F0001FF03C00000FF0000FF07800000FF0000FF8700 0000FF00007FCF000000FF00003FFE000000FF00001FFC000038FF80000FF8000038FF80 000FF80000387F800007FC0000787FC00003FE0000707FC00007FF0000F03FE0000F7F80 00E01FE0003E3FC001E00FF000FC1FF003C007FC07F007FC1F8001FFFFC001FFFF00007F FF00007FFC00000FF800000FF0003E437CC047>38 D<1E007F80FF80FFC0FFC0FFE0FFE0 FFE07FE01E60006000600060006000E000C000C000C001C001800380030007000E001C00 1800380030000B1C79BE19>I<0000300000700000E00001C0000380000780000F00001E 00003E00003C0000780000F80000F00001F00001E00003E00003E00007C00007C0000FC0 000F80000F80001F80001F00001F00003F00003F00003F00003E00007E00007E00007E00 007E00007E00007E00007C0000FC0000FC0000FC0000FC0000FC0000FC0000FC0000FC00 00FC0000FC0000FC0000FC0000FC0000FC0000FC0000FC0000FC0000FC00007C00007E00 007E00007E00007E00007E00007E00003E00003F00003F00003F00001F00001F00001F80 000F80000F80000FC00007C00007C00003E00003E00001E00001F00000F00000F8000078 00003C00003E00001E00000F000007800003800001C00000E0000070000030145A77C323 >II<000000060000000000 00000F000000000000000F000000000000000F000000000000000F000000000000000F00 0000000000000F000000000000000F000000000000000F000000000000000F0000000000 00000F000000000000000F000000000000000F000000000000000F000000000000000F00 0000000000000F000000000000000F000000000000000F000000000000000F0000000000 00000F000000000000000F000000000000000F000000000000000F000000000000000F00 0000000000000F000000000000000F000000000000000F000000000000000F000000007F FFFFFFFFFFFFE0FFFFFFFFFFFFFFF0FFFFFFFFFFFFFFF07FFFFFFFFFFFFFE00000000F00 0000000000000F000000000000000F000000000000000F000000000000000F0000000000 00000F000000000000000F000000000000000F000000000000000F000000000000000F00 0000000000000F000000000000000F000000000000000F000000000000000F0000000000 00000F000000000000000F000000000000000F000000000000000F000000000000000F00 0000000000000F000000000000000F000000000000000F000000000000000F0000000000 00000F000000000000000F000000000000000F000000000000000F000000000000000600 0000003C3C7BB447>43 D<1E007F80FF80FFC0FFC0FFE0FFE0FFE07FE01E600060006000 60006000E000C000C000C001C001800380030007000E001C001800380030000B1C798919 >II<1E007F807F80FFC0FFC0 FFC0FFC07F807F801E000A0A798919>I<000000018000000003C000000007C000000007 C000000007800000000F800000000F800000000F000000001F000000001F000000001E00 0000003E000000003E000000003C000000007C000000007C000000007800000000F80000 0000F800000000F000000001F000000001F000000001E000000003E000000003E0000000 03C000000007C000000007C000000007800000000F800000000F800000001F000000001F 000000001E000000003E000000003E000000003C000000007C000000007C000000007800 000000F800000000F800000000F000000001F000000001F000000001E000000003E00000 0003E000000003C000000007C000000007C000000007800000000F800000000F80000000 0F000000001F000000001F000000001E000000003E000000003E000000007C000000007C 000000007800000000F800000000F800000000F000000001F000000001F000000001E000 000003E000000003E000000003C000000007C000000007C000000007800000000F800000 000F800000000F000000001F000000001F000000001E000000003E000000003E00000000 3C000000007C000000007C000000007800000000F800000000F800000000F00000000060 00000000225B7BC32D>I<0001FE0000000FFFC000003F03F000007C00F80000F8007C00 01F0003E0003E0001F0007C0000F8007C0000F800FC0000FC01F800007E01F800007E01F 800007E03F800007F03F800007F03F000003F07F000003F87F000003F87F000003F87F00 0003F87F000003F87F000003F8FF000003FCFF000003FCFF000003FCFF000003FCFF0000 03FCFF000003FCFF000003FCFF000003FCFF000003FCFF000003FCFF000003FCFF000003 FCFF000003FCFF000003FCFF000003FCFF000003FCFF000003FCFF000003FCFF000003FC FF000003FC7F000003F87F000003F87F000003F87F000003F87F000003F83F800007F03F 800007F03F800007F01F800007E01F800007E01F800007E00FC0000FC00FC0000FC007E0 001F8003E0001F0001F0003E0000F8007C00007C00F800003F03F000000FFFC0000001FE 0000263F7DBC2D>I<0001C0000003C0000007C000001FC000007FC00007FFC000FFFFC0 00FF9FC000F81FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC0 00001FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC0 00001FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC0 00001FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC0 00001FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC0 00001FC000001FC000001FC000001FC000001FC000007FF000FFFFFFF8FFFFFFF8FFFFFF F81D3D78BC2D>I<0007FC0000003FFF800000FFFFE00003F01FF80007C007FC000F0001 FE001E0000FF001C0000FF803C00007FC07800007FC07800003FE07000003FE0FF00003F E0FF80001FF0FFC0001FF0FFC0001FF0FFC0001FF0FFC0001FF0FFC0001FF07F80001FF0 3F00001FF00C00001FF00000001FE00000003FE00000003FE00000003FC00000007FC000 00007F80000000FF80000000FF00000001FE00000001FC00000003F800000007F0000000 07E00000000FC00000001F800000003F000000007E000000007C00000000F800000001F0 00000003E000000007C00000000F800000001F000070003E000070003C00007000780000 7000F00000E001E00000E003C00000E007800000E00F000001E01FFFFFFFE01FFFFFFFE0 3FFFFFFFE07FFFFFFFC0FFFFFFFFC0FFFFFFFFC0FFFFFFFFC0243D7CBC2D>I<0007FC00 00003FFF800000F80FE00001E003F800078001FC000F0001FE000E0000FF001E0000FF80 1F80007F803FC0007FC03FE0007FC03FE0007FC03FF0007FC03FE0007FC03FE0007FC01F E0007FC00FC0007FC00000007F80000000FF80000000FF00000000FF00000001FE000000 01FE00000003FC00000003F800000007E00000000FC00000003F0000001FFC0000001FFF 800000000FE000000007F800000003FC00000001FE00000000FF00000000FF800000007F C00000007FC00000007FE00000003FE00000003FE00000003FF00000003FF00C00003FF0 3F00003FF07F80003FF0FFC0003FF0FFC0003FF0FFC0003FF0FFC0003FE0FFC0003FE0FF 80007FE07F00007FC07800007FC0780000FF803C0000FF801E0001FF000F0003FE0007C0 07FC0003F80FF00000FFFFE000003FFF80000007F80000243F7CBC2D>I<0000000E0000 00001E000000003E000000003E000000007E000000007E00000000FE00000001FE000000 01FE00000003FE000000077E000000067E0000000E7E0000001C7E0000001C7E00000038 7E000000707E000000707E000000E07E000001C07E000001C07E000003807E000007007E 000007007E00000E007E00001C007E00001C007E000038007E000070007E000070007E00 00E0007E0000C0007E0001C0007E000380007E000300007E000700007E000E00007E000C 00007E001C00007E003800007E003800007E007000007E00E000007E00FFFFFFFFFFFFFF FFFFFFFFFFFFFFFF000000FE00000000FE00000000FE00000000FE00000000FE00000000 FE00000000FE00000000FE00000000FE00000000FE00000000FE00000000FE00000001FF 000001FFFFFF0001FFFFFF0001FFFFFF283E7EBD2D>I<06000003000780001F0007F800 FE0007FFFFFE0007FFFFFC0007FFFFF80007FFFFF00007FFFFC00007FFFF000007FFFC00 00073FE00000070000000007000000000700000000070000000007000000000700000000 0700000000070000000007000000000700000000070000000007000000000701FE000007 0FFF8000073E03E000077001F80007E000FC0007C0007E000780003F000700003F800600 001F800000001FC00000001FC00000001FE00000000FE00000000FE00000000FE0000000 0FF00000000FF00000000FF00C00000FF07F00000FF07F80000FF0FF80000FF0FF80000F F0FF80000FF0FF80000FF0FF80000FE0FF00001FE0FC00001FE07000001FC07800001FC0 3800003F803C00003F801E00007F001F0000FE000F8001FC0007C003F80003F80FE00000 FFFFC000003FFF00000007F80000243F7CBC2D>I<00001FE0000000FFF8000003F03E00 000FC00F00001F000780003E000780007E001FC000FC003FC001F8007FC003F8007FC003 F0007FC007F0007FC00FE0003F800FE0001F001FE00000001FC00000001FC00000003FC0 0000003FC00000003FC00000007F800000007F800000007F80FE00007F87FF8000FF8F07 E000FF9C01F000FFB800FC00FFB0007E00FFF0007E00FFE0003F00FFE0003F80FFC0003F C0FFC0003FC0FFC0001FE0FFC0001FE0FFC0001FE0FF80001FF0FF80001FF0FF80001FF0 FF80001FF0FF80001FF07F80001FF07F80001FF07F80001FF07F80001FF07F80001FF07F 80001FF03F80001FF03FC0001FE03FC0001FE01FC0001FE01FC0003FC01FC0003FC00FE0 003F800FE0003F8007E0007F0003F0007E0001F800FC0000FC01F800007E07F000003FFF E000000FFF80000003FC0000243F7CBC2D>I<38000000003C000000003F000000003FFF FFFFFC3FFFFFFFFC3FFFFFFFFC3FFFFFFFF87FFFFFFFF87FFFFFFFF07FFFFFFFE0780000 01E070000003C0700000078070000007007000000F00E000001E00E000001C00E000003C 00E0000078000000007000000000F000000001E000000001C000000003C0000000078000 000007000000000F000000001E000000001E000000003C000000003C000000007C000000 007800000000F800000000F800000001F800000001F000000003F000000003F000000003 F000000007F000000007F000000007F00000000FF00000000FE00000000FE00000001FE0 0000001FE00000001FE00000001FE00000001FE00000001FE00000003FE00000003FE000 00003FE00000003FE00000003FE00000003FE00000003FE00000003FE00000003FE00000 003FE00000001FC00000000700000026407BBD2D>I<0003FC0000001FFF8000007C07E0 0000F001F80001E0007C0003C0003E000780001F000F00001F000F00000F801E00000F80 1E00000FC03E000007C03E000007C03E000007C03E000007C03F000007C03F000007C03F 80000F803FC0000F801FE0001F801FF0001F001FFC003E000FFE007C000FFF80780007FF C0F00003FFF3E00001FFFF800000FFFF0000003FFF0000001FFFC000000FFFE000003FFF F8000078FFFC0001F07FFE0003E01FFF0007C00FFF800F8003FFC01F0001FFC03F00007F E03E00003FE07E00001FE07C00000FF07C000007F0F8000003F0F8000003F0F8000003F0 F8000001F0F8000001F0F8000001F0F8000001F0FC000001E07C000003E07C000003E07E 000003C03F000007C01F00000F801F80001F000FC0003E0007F0007C0001FC03F80000FF FFE000001FFF80000003FC0000243F7CBC2D>I<0003FC0000001FFF0000007E07C00000 FC03F00001F801F80003F000FC0007E0007C000FE0007E001FC0007F001FC0003F003FC0 003F803F80003F807F80003FC07F80003FC07F80001FC0FF80001FC0FF80001FE0FF8000 1FE0FF80001FE0FF80001FE0FF80001FE0FF80001FF0FF80001FF0FF80001FF0FF80001F F0FF80001FF07F80001FF07F80003FF07F80003FF07F80003FF03FC0003FF03FC0003FF0 1FC0007FF00FC0007FF007E000FFF007F000DFF003F001DFF000F8039FF0007E0F1FF000 1FFE1FE00007F01FE00000001FE00000001FE00000003FC00000003FC00000003FC00000 003FC00000003F800000007F800F80007F001FC0007F003FE000FE003FE000FE003FE001 FC003FE001F8003FC003F0003F8007F0001E000FE0001F001FC0000FC07F000003FFFE00 0001FFF80000003FC00000243F7CBC2D>I<1E007F807F80FFC0FFC0FFC0FFC07F807F80 1E0000000000000000000000000000000000000000000000000000000000000000000000 000000001E007F807F80FFC0FFC0FFC0FFC07F807F801E000A2779A619>I<7FFFFFFFFF FFFFE0FFFFFFFFFFFFFFF0FFFFFFFFFFFFFFF07FFFFFFFFFFFFFE0000000000000000000 000000000000000000000000000000000000000000000000000000000000000000000000 000000000000000000000000000000000000000000000000000000000000000000000000 000000000000000000000000000000000000000000000000000000000000007FFFFFFFFF FFFFE0FFFFFFFFFFFFFFF0FFFFFFFFFFFFFFF07FFFFFFFFFFFFFE03C167BA147>61 D<0000007FE0000000000007FFFE00000000001F801F8000000000780001E000000001E0 000078000000078000001E0000000F0000000F0000001E000000078000003800000001C0 00007000000000E00000E000000000700001E000000000780003C0000000003C00038000 3F80001C00070001FFF0000E000F0007E07C000F000E000FC01E0007001E003F00070007 801C007F00038003803C00FE0001C003C03800FC0001FE01C03801FC0000FF01C07803F8 00007F01E07003F800007F00E07007F000007F00E07007F000007F00E0F007F000007F00 F0E007F000007F0070E00FE000007F0070E00FE000007F0070E00FE000007F0070E00FE0 00007F0070E00FE000007F0070E00FE000007F0070E00FE000007F0070E00FE000007F00 70E00FE000007F0070E007F000007F0070F007F000007F00707007F000007F00707007F0 00007F00707003F800007F00707803F800007F00E03801FC0000FF00E03800FC0001FF00 E03C00FE0001FF00E01C007F0003FF01C01E003F00077F01C00E000FC01E3F83800F0007 E07C1F8700070001FFF007FE000380003F8001F80003C000000000000001E00000000000 0000E000000000000000700000000000000038000000000000001E0000000003F0000F00 0000000FF00007800000003FC00001E0000001FE0000007800001FF00000001F8003FF80 00000007FFFFF800000000007FFE0000003C417BBF47>64 D<0000000700000000000000 0F800000000000000F800000000000000F800000000000001FC00000000000001FC00000 000000001FC00000000000003FE00000000000003FE00000000000003FE0000000000000 7FF00000000000007FF00000000000007FF0000000000000FFF8000000000000E7F80000 00000000E7F8000000000001C7FC000000000001C3FC000000000001C3FC000000000003 81FE00000000000381FE00000000000381FE00000000000700FF00000000000700FF0000 0000000700FF00000000000E007F80000000000E007F80000000000E007F80000000001C 003FC0000000001C003FC0000000001C003FC00000000038001FE00000000038001FE000 00000038001FE00000000070000FF00000000070000FF00000000070000FF000000000E0 0007F800000000E00007F800000000E00007F800000001C00003FC00000001FFFFFFFC00 000001FFFFFFFC00000003FFFFFFFE00000003800001FE00000003800001FE0000000700 0000FF00000007000000FF0000000F000000FF8000000E0000007F8000000E0000007F80 00001E0000007FC000001C0000003FC000001C0000003FC000003C0000003FE000003800 00001FE00000380000001FE00000780000001FF00000780000000FF00000FC0000000FF0 0003FC0000001FF8000FFF0000003FFC00FFFFF0000FFFFFF8FFFFF0000FFFFFF8FFFFF0 000FFFFFF83D417DC044>II<0000003FF00006000003FFFE000E00 000FFFFF801E00003FF007E03E0000FF8000F83E0003FE00007C7E0007F800001EFE000F F000000FFE003FE0000007FE007FC0000003FE00FF80000003FE00FF00000001FE01FE00 000000FE03FE00000000FE07FC000000007E07F8000000007E0FF8000000003E0FF80000 00003E1FF0000000001E1FF0000000001E3FF0000000001E3FE0000000001E3FE0000000 000E7FE0000000000E7FE0000000000E7FE0000000000E7FC00000000000FFC000000000 00FFC00000000000FFC00000000000FFC00000000000FFC00000000000FFC00000000000 FFC00000000000FFC00000000000FFC00000000000FFC00000000000FFC00000000000FF C000000000007FC000000000007FE000000000007FE0000000000E7FE0000000000E3FE0 000000000E3FE0000000000E3FF0000000000E1FF0000000001E1FF0000000001C0FF800 0000001C0FF8000000001C07F8000000003C07FC000000003803FE000000007801FE0000 00007000FF00000000F000FF80000001E0007FC0000001C0003FE0000003C0000FF00000 07800007F800001F000003FE00003E000000FF8000F80000003FF007F00000000FFFFFC0 00000003FFFF00000000003FF0000037427BBF42>IIII<0000003FE0000C00000003FFFE001C0000001FFFFF803C0000007FF00FC07C0000 00FF0001F07C000003FC000078FC000007F800003DFC00001FE000001FFC00003FC00000 0FFC00007F80000007FC0000FF80000003FC0001FF00000003FC0001FE00000001FC0003 FC00000001FC0007FC00000000FC0007F800000000FC000FF8000000007C000FF0000000 007C001FF0000000003C001FF0000000003C003FE0000000003C003FE0000000003C003F E0000000001C007FE0000000001C007FE0000000001C007FC0000000001C007FC0000000 000000FFC0000000000000FFC0000000000000FFC0000000000000FFC0000000000000FF C0000000000000FFC0000000000000FFC0000000000000FFC0000000000000FFC0000000 000000FFC0000000000000FFC0000000000000FFC000001FFFFFF07FC000001FFFFFF07F C000001FFFFFF07FE00000000FFE007FE000000003FC003FE000000003FC003FE0000000 03FC003FF000000003FC001FF000000003FC001FF000000003FC000FF800000003FC000F F800000003FC0007F800000003FC0007FC00000003FC0003FC00000003FC0001FE000000 03FC0001FF00000003FC0000FF80000003FC00007FC0000007FC00003FE0000007FC0000 1FF000000FFC000007F800001EFC000003FE00003C7C000000FF8000F83C0000007FF007 F01C0000001FFFFFC00C00000003FFFF0000000000003FF00000003C427BBF47>III< 001FFFFFFC001FFFFFFC001FFFFFFC000007FF00000003FE00000001FE00000001FE0000 0001FE00000001FE00000001FE00000001FE00000001FE00000001FE00000001FE000000 01FE00000001FE00000001FE00000001FE00000001FE00000001FE00000001FE00000001 FE00000001FE00000001FE00000001FE00000001FE00000001FE00000001FE00000001FE 00000001FE00000001FE00000001FE00000001FE00000001FE00000001FE00000001FE00 000001FE00000001FE00000001FE00000001FE00000001FE00000001FE00000001FE0000 0001FE00000001FE00000001FE00000001FE003F0001FE007F8001FE00FFC001FE00FFC0 01FE00FFC001FE00FFC001FE00FFC003FC00FF8003FC007F0003F8007C0007F800380007 F0003C000FE0001E001FC0000F003F800003E07E000000FFF80000003FC0000026407CBD 2F>IIIII<0000007FE0000000000007 FFFE00000000001FC03F80000000007E0007E000000001FC0003F800000007F00000FE00 00000FE000007F0000001FC000003F8000003F8000001FC000007F0000000FE00000FE00 000007F00001FE00000007F80001FC00000003F80003FC00000003FC0007F800000001FE 0007F800000001FE000FF000000000FF000FF000000000FF001FF000000000FF801FE000 0000007F803FE0000000007FC03FE0000000007FC03FE0000000007FC07FE0000000007F E07FC0000000003FE07FC0000000003FE07FC0000000003FE0FFC0000000003FF0FFC000 0000003FF0FFC0000000003FF0FFC0000000003FF0FFC0000000003FF0FFC0000000003F F0FFC0000000003FF0FFC0000000003FF0FFC0000000003FF0FFC0000000003FF0FFC000 0000003FF0FFC0000000003FF07FC0000000003FE07FE0000000007FE07FE0000000007F E07FE0000000007FE07FE0000000007FE03FE0000000007FC03FE0000000007FC01FF000 000000FF801FF000000000FF801FF000000000FF800FF800000001FF000FF800000001FF 0007FC00000003FE0003FC00000003FC0003FE00000007FC0001FE00000007F80000FF00 00000FF000007F0000000FE000003F8000001FC000001FC000003F8000000FE000007F00 000007F00000FE00000001FC0003F8000000007F000FE0000000001FC03F800000000007 FFFE0000000000007FE00000003C427BBF47>II<0000007FE00000 00000007FFFE00000000001FC03F80000000007F000FE000000001FC0003F800000007F0 0000FE0000000FE000007F0000001FC000003F8000003F8000001FC000007F0000000FE0 0000FF0000000FF00001FE00000007F80001FC00000003F80003FC00000003FC0007F800 000001FE0007F800000001FE000FF800000001FF000FF000000000FF001FF000000000FF 801FF000000000FF803FE0000000007FC03FE0000000007FC03FE0000000007FC07FE000 0000007FE07FE0000000007FE07FC0000000003FE07FC0000000003FE0FFC0000000003F F0FFC0000000003FF0FFC0000000003FF0FFC0000000003FF0FFC0000000003FF0FFC000 0000003FF0FFC0000000003FF0FFC0000000003FF0FFC0000000003FF0FFC0000000003F F0FFC0000000003FF0FFC0000000003FF07FC0000000003FE07FC0000000003FE07FE000 0000007FE07FE0000000007FE07FE0000000007FE03FE0000000007FC03FE0000000007F C01FF000000000FF801FF000000000FF801FF000000000FF800FF000000000FF000FF800 000001FF0007F8000F8001FE0003FC003FE003FC0003FC00707003FC0001FE00E03807F8 0000FF01C01C0FF000007F01800E0FE000003F8180061FC000001FC180073F8000000FE1 80077F00000007F18003FE00000001FDC003F8000000007EE007E0000000001FF03FC000 18000007FFFFC000180000007FE1E000180000000001E000380000000001F00038000000 0001F800780000000001F800780000000000FC00F00000000000FF03F00000000000FFFF F00000000000FFFFF000000000007FFFE000000000007FFFE000000000007FFFE0000000 00003FFFC000000000001FFF8000000000000FFF00000000000007FE00000000000001F8 003D527BBF47>II<0007FC000C001FFF801C007FFF F03C01FC03F83C03F0007E7C07C0001FFC0F80000FFC1F800007FC3F000003FC3E000001 FC7E000000FC7E000000FC7C0000007CFC0000007CFC0000007CFC0000003CFC0000003C FC0000003CFE0000001CFE0000001CFF0000001CFF0000001C7F800000007FC00000007F E00000003FF80000003FFF8000001FFFF800000FFFFF800007FFFFF00003FFFFFC0001FF FFFF0000FFFFFFC0003FFFFFE00007FFFFF000007FFFF0000007FFF80000007FFC000000 0FFC00000007FE00000003FE00000001FE00000000FF00000000FFE00000007FE0000000 7FE00000007FE00000003FE00000003FF00000003FF00000003FF00000003FF00000003E F80000003EF80000007EFC0000007CFE000000FCFF000000F8FF800001F8FFC00003F0FF E00007E0F9FC000FC0F07F803F80F01FFFFE00E007FFF800C0007FC00028427BBF33>I< 3FFFFFFFFFFFFF803FFFFFFFFFFFFF803FFFFFFFFFFFFF803FF0007FE001FF803F80003F C0003F807F00003FC0001FC07E00003FC00007C07C00003FC00007C07800003FC00003C0 7800003FC00003C07800003FC00003C07000003FC00001C07000003FC00001C07000003F C00001C07000003FC00001C07000003FC00001C0E000003FC00000E0E000003FC00000E0 E000003FC00000E0E000003FC00000E0E000003FC00000E00000003FC00000000000003F C00000000000003FC00000000000003FC00000000000003FC00000000000003FC0000000 0000003FC00000000000003FC00000000000003FC00000000000003FC00000000000003F C00000000000003FC00000000000003FC00000000000003FC00000000000003FC0000000 0000003FC00000000000003FC00000000000003FC00000000000003FC00000000000003F C00000000000003FC00000000000003FC00000000000003FC00000000000003FC0000000 0000003FC00000000000003FC00000000000003FC00000000000003FC00000000000003F C00000000000003FC00000000000003FC00000000000003FC00000000000003FC0000000 0000003FC00000000000003FC00000000000007FE0000000000000FFF00000000007FFFF FFFE00000007FFFFFFFE00000007FFFFFFFE00003B3D7DBC42>IIII<7FFFFFC003FFFFE07FFFFFC003FFFFE07FFFFFC003FFFFE0 00FFFE0000FFFC00003FF800003FE000001FF000001F8000000FF800001F0000000FF800 001E00000007FC00001C00000003FE00003C00000003FE00007800000001FF0000700000 0000FF8000F000000000FF8001E0000000007FC001C0000000003FC003C0000000003FE0 0780000000001FF00700000000000FF00F00000000000FF81E000000000007FC1C000000 000007FC3C000000000003FE78000000000001FF70000000000001FFF0000000000000FF E00000000000007FC00000000000007FC00000000000003FE00000000000001FF0000000 0000001FF00000000000001FF80000000000001FFC0000000000003FFC0000000000003B FE00000000000071FF000000000000F1FF000000000000E0FF800000000001C07F800000 000003C07FC00000000003803FE00000000007003FE0000000000F001FF0000000000E00 0FF8000000001C000FF8000000003C0007FC00000000380003FE00000000780003FE0000 0000F00001FF00000000E00000FF80000001E00000FF80000003C000007FC00000038000 003FE00000078000003FE000000F0000001FF000001F0000000FF800003F8000000FF800 00FFC000001FFC0007FFE000007FFF00FFFFFC0003FFFFFEFFFFFC0003FFFFFEFFFFFC00 03FFFFFE3F3E7EBD44>II< 3FFFFFFFFFF83FFFFFFFFFF83FFFFFFFFFF83FFF00001FF03FF800001FF03FE000003FE0 3F8000007FC03F0000007FC03E000000FF803E000000FF803C000001FF007C000003FE00 78000003FE0078000007FC007800000FF8007800000FF8007000001FF0007000001FF000 7000003FE0007000007FC0007000007FC000000000FF8000000001FF0000000001FF0000 000003FE0000000007FC0000000007FC000000000FF8000000000FF8000000001FF00000 00003FE0000000003FE0000000007FC000000000FF8000000000FF8000000001FF000000 0001FF0000000003FE0000000007FC00001C0007FC00001C000FF800001C001FF000001C 001FF000001C003FE000001C007FC000001C007FC000003C00FF8000003C00FF8000003C 01FF0000003C03FE0000003C03FE0000007807FC000000780FF8000000F80FF8000000F8 1FF0000001F81FF0000003F83FE000000FF87FC000003FF87FC00001FFF8FFFFFFFFFFF8 FFFFFFFFFFF8FFFFFFFFFFF82E3E7BBD38>II<018000C0038001C0 03000180070003800E0007001C000E0018000C0038001C00300018007000380060003000 6000300060003000E0007000C0006000C0006000C0006000C0006000CF006780FFC07FE0 FFE07FF0FFE07FF0FFE07FF07FE03FF07FE03FF03FE01FF03FC01FE00F0007801C1C73BE 2D>II<01800380030007000E001C00180038003000700060006000 6000E000C000C000C000C000CF00FFC0FFE0FFE0FFE07FE07FE03FE03FC00F000B1C7ABE 19>96 D<000FF800000000FFFE00000003F01F800000078007E000000F8003F000000FE0 01F800001FF001FC00001FF000FE00001FF000FE00001FF000FE00001FF0007F00000FE0 007F00000380007F00000000007F00000000007F00000000007F00000000007F00000000 1FFF00000003FFFF0000001FF87F0000007F807F000001FC007F000007F8007F00000FE0 007F00001FC0007F00003F80007F00003F80007F00007F00007F00007F00007F0380FE00 007F0380FE00007F0380FE00007F0380FE0000FF0380FE0000FF0380FE0000FF03807F00 01FF03807F0003BF03803F80071F87001FC00E1FCF0007F03C0FFE0001FFF807FC00003F C001F000292A7DA82D>I<01FC00000000FFFC00000000FFFC00000000FFFC0000000007 FC0000000003FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001 FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001 FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001 FC0000000001FC03FC000001FC1FFF800001FC7C07E00001FDE001F00001FFC000FC0001 FF80007E0001FF00003F0001FE00003F8001FC00001F8001FC00001FC001FC00000FE001 FC00000FE001FC00000FF001FC00000FF001FC000007F001FC000007F801FC000007F801 FC000007F801FC000007F801FC000007F801FC000007F801FC000007F801FC000007F801 FC000007F801FC000007F801FC000007F001FC000007F001FC00000FF001FC00000FF001 FC00000FE001FC00001FE001FC00001FC001FE00001F8001FE00003F0001FF00007F0001 FF8000FE0001F3C001F80001F1E003F00001E0780FC00001C03FFF0000000007F800002D 407EBE33>I<0001FF0000000FFFE000003F00F800007C001E0001F8001F0003F0007F00 07F000FF800FE000FF800FC000FF801FC000FF801FC000FF803F80007F003F80001C007F 800000007F800000007F00000000FF00000000FF00000000FF00000000FF00000000FF00 000000FF00000000FF00000000FF00000000FF00000000FF00000000FF000000007F8000 00007F800000007F800000003F800001C03FC00001C01FC00003C01FC00003800FE00007 8007F000070003F0000E0001F8001E0000FC007800003F01F000000FFFC0000001FE0000 222A7DA828>I<00000001FC00000000FFFC00000000FFFC00000000FFFC0000000007FC 0000000003FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC 0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC 0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC 000000FF01FC000007FFE1FC00001F80F9FC00007E003DFC0000FC001FFC0003F80007FC 0007F00007FC0007E00003FC000FC00001FC001FC00001FC003FC00001FC003F800001FC 007F800001FC007F800001FC007F000001FC007F000001FC00FF000001FC00FF000001FC 00FF000001FC00FF000001FC00FF000001FC00FF000001FC00FF000001FC00FF000001FC 00FF000001FC00FF000001FC007F000001FC007F800001FC007F800001FC003F800001FC 003F800001FC001FC00001FC000FC00003FC000FE00003FC0007E00007FC0003F0000FFE 0001F8001FFF00007C0079FFF8003F01F1FFF8000FFFC1FFF80001FE01FC002D407DBE33 >I<0001FE0000000FFFC000003F03F00000FC01F80001F800FC0003F0007E0007E0003F 000FE0003F800FC0001F801FC0001FC03F80000FC03F80000FC07F80000FC07F80000FE0 7F00000FE07F00000FE0FF00000FE0FF00000FE0FFFFFFFFE0FFFFFFFFE0FF00000000FF 00000000FF00000000FF00000000FF00000000FF000000007F000000007F000000007F80 0000003F800000003F800000E01FC00000E01FC00001E00FC00001C007E00003C007F000 078003F800070000FC001E00007E003C00001F80F8000007FFE0000000FF0000232A7EA8 28>I<00001FC000007FF80001F83C0007E07E000FC0FF001FC1FF003F81FF003F01FF00 7F01FF007F00FE00FE007C00FE000000FE000000FE000000FE000000FE000000FE000000 FE000000FE000000FE000000FE000000FE000000FE000000FE000000FE0000FFFFFF00FF FFFF00FFFFFF0000FE000000FE000000FE000000FE000000FE000000FE000000FE000000 FE000000FE000000FE000000FE000000FE000000FE000000FE000000FE000000FE000000 FE000000FE000000FE000000FE000000FE000000FE000000FE000000FE000000FE000000 FE000000FE000000FE000000FE000000FE000000FE000000FE000001FF00007FFFFF007F FFFF007FFFFF0020407EBF1C>I<000000007C000003F801FF00001FFF078F80007E0FDE 1F8000F803F81F8003F001F81F8003F001F81F8007E000FC06000FE000FE00000FC0007E 00001FC0007F00001FC0007F00001FC0007F00001FC0007F00001FC0007F00001FC0007F 00001FC0007F00001FC0007F00000FC0007E00000FE000FE000007E000FC000003F001F8 000003F001F8000001F803E0000003FE0FC00000071FFF0000000703F800000006000000 00000E00000000000E00000000000E00000000000F00000000000F00000000000F800000 00000FC00000000007FFFFE0000007FFFFFE000003FFFFFF800001FFFFFFE00000FFFFFF F00003FFFFFFF8000FC0001FFC001F000001FE003E000000FE007C0000007E007C000000 3F00F80000003F00F80000001F00F80000001F00F80000001F00F80000001F00FC000000 3F007C0000003E007E0000007E003F000000FC001F800001F8000FC00003F00003F0000F C00000FE007F0000003FFFFC00000003FFC00000293D7EA82D>I<01FC00000000FFFC00 000000FFFC00000000FFFC0000000007FC0000000003FC0000000001FC0000000001FC00 00000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC00 00000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC00 00000001FC0000000001FC0000000001FC0000000001FC01FE000001FC07FFC00001FC1E 07E00001FC7803F00001FCE001F80001FDC001FC0001FD8001FC0001FF8000FE0001FF00 00FE0001FF0000FE0001FE0000FE0001FE0000FE0001FC0000FE0001FC0000FE0001FC00 00FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC00 00FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC00 00FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC00 00FE0001FC0000FE0001FC0000FE0001FC0000FE0003FE0001FF00FFFFF87FFFFCFFFFF8 7FFFFCFFFFF87FFFFC2E3F7DBE33>I<01E00007F80007F8000FFC000FFC000FFC000FFC 0007F80007F80001E0000000000000000000000000000000000000000000000000000000 0000000000000000000001FC007FFC007FFC007FFC0007FC0003FC0001FC0001FC0001FC 0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC 0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC 0001FC0001FC0001FC0003FE00FFFFF0FFFFF0FFFFF0143E7DBD1A>I<0000780001FE00 01FE0003FF0003FF0003FF0003FF0001FE0001FE00007800000000000000000000000000 000000000000000000000000000000000000000000000000007F007FFF007FFF007FFF00 01FF0000FF00007F00007F00007F00007F00007F00007F00007F00007F00007F00007F00 007F00007F00007F00007F00007F00007F00007F00007F00007F00007F00007F00007F00 007F00007F00007F00007F00007F00007F00007F00007F00007F00007F00007F00007F00 007F00007F00007F00007F00007F00007F00007F3E007F7F007FFF807EFF80FEFF80FEFF 80FCFF81F87F01F87C03F01E07C00FFF8001FC00185185BD1C>I<01FC00000000FFFC00 000000FFFC00000000FFFC0000000007FC0000000003FC0000000001FC0000000001FC00 00000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC00 00000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC00 00000001FC0000000001FC0000000001FC0000000001FC0000000001FC00FFFF8001FC00 FFFF8001FC00FFFF8001FC003FFC0001FC003FE00001FC003F800001FC003F000001FC00 3C000001FC0078000001FC00F0000001FC01E0000001FC07C0000001FC0F80000001FC1F 00000001FC3E00000001FC7F00000001FCFF80000001FDFF80000001FFDFC0000001FF9F E0000001FF0FE0000001FE07F0000001FC07F8000001F803FC000001F801FC000001F801 FE000001F800FF000001F8007F000001F8007F800001F8003FC00001F8001FC00001F800 1FE00001F8000FF00001F8000FF00001F8000FF80003FC000FFE00FFFFF07FFFE0FFFFF0 7FFFE0FFFFF07FFFE02B3F7EBE30>I<01FC00FFFC00FFFC00FFFC0007FC0003FC0001FC 0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC 0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC 0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC 0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC0001FC 0001FC0001FC0001FC0001FC0003FE00FFFFF8FFFFF8FFFFF8153F7DBE1A>I<01F801FE 0000FF0000FFF807FFC003FFE000FFF81E07E00F03F000FFF87803F03C01F80007F8E001 F87000FC0003F9C001FCE000FE0001F98001FCC000FE0001FB8000FFC0007F0001FB0000 FF80007F0001FF0000FF80007F0001FE0000FF00007F0001FE0000FF00007F0001FC0000 FE00007F0001FC0000FE00007F0001FC0000FE00007F0001FC0000FE00007F0001FC0000 FE00007F0001FC0000FE00007F0001FC0000FE00007F0001FC0000FE00007F0001FC0000 FE00007F0001FC0000FE00007F0001FC0000FE00007F0001FC0000FE00007F0001FC0000 FE00007F0001FC0000FE00007F0001FC0000FE00007F0001FC0000FE00007F0001FC0000 FE00007F0001FC0000FE00007F0001FC0000FE00007F0001FC0000FE00007F0001FC0000 FE00007F0001FC0000FE00007F0001FC0000FE00007F0001FC0000FE00007F0003FE0001 FF0000FF80FFFFF87FFFFC3FFFFEFFFFF87FFFFC3FFFFEFFFFF87FFFFC3FFFFE47287DA7 4C>I<01F801FE0000FFF807FFC000FFF81E07E000FFF87803F00007F8E001F80003F9C0 01FC0001F98001FC0001FB8000FE0001FB0000FE0001FF0000FE0001FE0000FE0001FE00 00FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC00 00FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC00 00FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC00 00FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC00 00FE0003FE0001FF00FFFFF87FFFFCFFFFF87FFFFCFFFFF87FFFFC2E287DA733>I<0000 FF00000007FFE000001F81F800007E007E0000F8001F0001F0000F8003E00007C007C000 03E00FC00003F01F800001F81F800001F83F800001FC3F800001FC7F000000FE7F000000 FE7F000000FE7F000000FEFF000000FFFF000000FFFF000000FFFF000000FFFF000000FF FF000000FFFF000000FFFF000000FFFF000000FF7F000000FE7F000000FE7F000000FE3F 800001FC3F800001FC3F800001FC1F800001F80FC00003F00FC00003F007E00007E003F0 000FC001F8001F80007E007E00003F81FC00000FFFF0000000FF0000282A7EA82D>I<01 FC03FC0000FFFC1FFF8000FFFC7C0FE000FFFDE003F00003FFC001FC0001FF8000FE0001 FF00007F0001FE00003F8001FC00003F8001FC00001FC001FC00001FE001FC00001FE001 FC00000FF001FC00000FF001FC00000FF001FC000007F801FC000007F801FC000007F801 FC000007F801FC000007F801FC000007F801FC000007F801FC000007F801FC000007F801 FC000007F801FC00000FF001FC00000FF001FC00000FF001FC00000FF001FC00001FE001 FC00001FE001FC00003FC001FE00003F8001FE00007F0001FF00007F0001FF8000FE0001 FFC001F80001FDE007F00001FC780FC00001FC3FFF000001FC07F8000001FC0000000001 FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001 FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000003 FE00000000FFFFF8000000FFFFF8000000FFFFF80000002D3A7EA733>I<0000FF001C00 0007FFC03C00001F80F03C00007F00387C0000FC001C7C0003F8000E7C0007F0000FFC00 07F00007FC000FE00003FC001FE00003FC003FC00003FC003FC00001FC007F800001FC00 7F800001FC007F800001FC007F800001FC00FF000001FC00FF000001FC00FF000001FC00 FF000001FC00FF000001FC00FF000001FC00FF000001FC00FF000001FC00FF000001FC00 FF000001FC007F800001FC007F800001FC007F800001FC003FC00001FC003FC00001FC00 1FC00003FC000FE00003FC000FE00007FC0007F0000FFC0003F8000FFC0001FC003DFC00 007E0079FC00003F81F1FC00000FFFC1FC000001FE01FC0000000001FC0000000001FC00 00000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000001FC00 00000001FC0000000001FC0000000001FC0000000001FC0000000001FC0000000003FE00 000000FFFFF8000000FFFFF8000000FFFFF82D3A7DA730>I<01F807E0FFF81FF8FFF878 7CFFF8E1FE07F9C1FE03F981FE01FB81FE01FB01FE01FB00FC01FF003001FE000001FE00 0001FE000001FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC00 0001FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC00 0001FC000001FC000001FC000001FC000001FC000001FC000003FE0000FFFFFE00FFFFFE 00FFFFFE001F287EA724>I<003FC06001FFF8E007C03FE01F000FE03E0007E03C0003E0 7C0003E0780001E0F80001E0F80000E0F80000E0FC0000E0FE0000E0FF0000E0FF800000 7FF800007FFFC0003FFFF8001FFFFE000FFFFF0007FFFF8001FFFFC0003FFFE00003FFF0 00001FF000000FF8E00003F8E00003F8E00001F8F00001F8F00000F8F00000F8F80000F8 F80000F0FC0000F0FC0001F0FE0001E0FF0003C0FF800780F3E01F00E0FFFC00C01FE000 1D2A7DA824>I<001C0000001C0000001C0000001C0000001C0000001C0000003C000000 3C0000003C0000003C0000007C0000007C000000FC000000FC000001FC000003FC000007 FC00001FFFFFC0FFFFFFC0FFFFFFC001FC000001FC000001FC000001FC000001FC000001 FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC000001FC000001 FC000001FC000001FC000001FC000001FC000001FC000001FC00E001FC00E001FC00E001 FC00E001FC00E001FC00E001FC00E001FC00E001FC00E000FC00E000FE01C000FE01C000 7F03C0003F0380001F87000007FE000001F8001B397EB723>I<01FC0000FE00FFFC007F FE00FFFC007FFE00FFFC007FFE0007FC0003FE0003FC0001FE0001FC0000FE0001FC0000 FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000 FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000 FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0000 FE0001FC0000FE0001FC0000FE0001FC0000FE0001FC0001FE0001FC0001FE0001FC0001 FE0001FC0003FE0000FC0003FE0000FC0007FE0000FE0006FF00007E000EFF80003F001C FFFC001FC078FFFC0007FFE0FFFC0000FF80FE002E297DA733>IIIII<1FFFFFFF801FFFFFFF801FE000FF801F8000FF001F0001FE001E00 03FC001C0003FC001C0007F8003C000FF0003C001FF00038001FE00038003FC00038007F C00038007F80003800FF00000001FE00000001FE00000003FC00000007F80000000FF800 00000FF00000001FE00000003FC00380003FC00380007F80038000FF00038001FF000380 01FE00038003FC00078007FC00078007F80007000FF00007001FE0000F001FE0000F003F C0001F007F80007F00FF8001FF00FFFFFFFF00FFFFFFFF0021277EA628>III<00F0000803FC001C07FF00380FFF80701F3FF3E03807FFC07003FF 80E000FF0040003C001E0979BC2D>126 D E /Fq 16 121 df<1E007F807F80FFC0FFC0 FFC0FFC07F807F801E000A0A77891D>46 D<0001FE0000000FFFC000003F03F000007C00 F80000F8007C0001F0003E0003E0001F0007C0000F8007C0000F800FC0000FC01F800007 E01F800007E01F800007E03F800007F03F800007F03F000003F07F000003F87F000003F8 7F000003F87F000003F87F000003F87F000003F8FF000003FCFF000003FCFF000003FCFF 000003FCFF000003FCFF000003FCFF000003FCFF000003FCFF000003FCFF000003FCFF00 0003FCFF000003FCFF000003FCFF000003FCFF000003FCFF000003FCFF000003FCFF0000 03FCFF000003FCFF000003FC7F000003F87F000003F87F000003F87F000003F87F000003 F83F800007F03F800007F03F800007F01F800007E01F800007E01F800007E00FC0000FC0 0FC0000FC007E0001F8003E0001F0001F0003E0000F8007C00007C00F800003F03F00000 0FFFC0000001FE0000263F7BBC32>48 D<0003FE0000001FFFE000007C07F80001E001FE 0003C000FF000700007F800E00003FC01E00003FE01F80001FE03FC0001FF03FE0001FF0 3FE0001FF03FF0001FF03FE0001FF03FE0001FF01FE0001FF00FC0001FF00000003FE000 00003FE00000003FC00000007FC00000007F80000000FF00000000FE00000001FC000000 03F800000007E00000003F8000001FFE0000001FFFC000000007F000000001FC00000000 FF000000007F800000003FC00000003FE00000001FE00000001FF00000001FF80000001F F80000000FF80000000FFC0000000FFC0C00000FFC3F00000FFC7F80000FFCFFC0000FFC FFC0000FFCFFC0000FFCFFC0000FF8FFC0001FF8FF80001FF87F00001FF07800001FF078 00003FE03C00003FC01E00007FC00F8000FF8007E001FE0003FC07FC0000FFFFF000003F FFC0000003FE0000263F7BBC32>51 D<000001E0000000000001E0000000000003F00000 00000003F0000000000003F0000000000007F8000000000007F8000000000007F8000000 00000FFC00000000000FFC00000000001FFE00000000001CFE00000000001CFE00000000 003CFF0000000000387F0000000000387F0000000000703F8000000000703F8000000000 703F8000000000E01FC000000000E01FC000000001E01FE000000001C00FE000000001C0 0FE0000000038007F0000000038007F0000000038007F0000000070003F8000000070003 F80000000F0003FC0000000E0001FC0000000FFFFFFC0000001FFFFFFE0000001FFFFFFE 0000001C0000FE0000003800007F0000003800007F0000007800007F8000007000003F80 00007000003F800000F000003FC00000E000001FC00001E000001FC00003F000001FE000 07F000001FE0000FF800003FF800FFFE0001FFFFC0FFFE0001FFFFC0FFFE0001FFFFC032 317DB038>97 DI101 DI105 D107 D109 D<00001FF800000000FFFF 00000007F00FE000000FC003F000003F0000FC00007E00007E0000FC00003F0001F80000 1F8003F000000FC007E0000007E00FE0000007F00FC0000003F01FC0000003F81F800000 01F83F80000001FC3F80000001FC7F80000001FE7F00000000FE7F00000000FE7F000000 00FEFF00000000FFFF00000000FFFF00000000FFFF00000000FFFF00000000FFFF000000 00FFFF00000000FFFF00000000FFFF00000000FFFF00000000FF7F80000001FE7F800000 01FE7F80000001FE3F80000001FC3F80000001FC3FC0000003FC1FC0000003F80FE00000 07F00FE0000007F007F000000FE003F000000FC001F800001F8000FC00003F00007E0000 7E00003F0000FC00000FC003F0000007F00FE0000000FFFF000000001FF8000030317BAF 3A>111 D<003FC00C00FFF81C03FFFE3C0FE03FFC1F8007FC1F0003FC3E0001FC7C0000 FC7C00007CF800007CF800003CF800003CF800003CFC00001CFC00001CFE00001CFF0000 007F8000007FE000007FFE00003FFFE0001FFFFE000FFFFF8007FFFFE001FFFFF0007FFF F8000FFFFC0000FFFC000007FE000001FE000000FE0000007F0000003FE000003FE00000 1FE000001FE000001FF000001FF000001FF000001EF800003EFC00003CFE00007CFF0000 F8FFC001F0FBF807E0F1FFFFC0E07FFF00C007FC0020317BAF2A>115 D<7FFFFFFFFFF87FFFFFFFFFF87FFFFFFFFFF87F801FF007F87E000FE000F878000FE000 7878000FE0007870000FE00038F0000FE0003CF0000FE0003CF0000FE0003CE0000FE000 1CE0000FE0001CE0000FE0001CE0000FE0001CE0000FE0001C00000FE0000000000FE000 0000000FE0000000000FE0000000000FE0000000000FE0000000000FE0000000000FE000 0000000FE0000000000FE0000000000FE0000000000FE0000000000FE0000000000FE000 0000000FE0000000000FE0000000000FE0000000000FE0000000000FE0000000000FE000 0000000FE0000000000FE0000000000FE0000000000FE0000000000FE0000000000FE000 0000003FF80000001FFFFFF000001FFFFFF000001FFFFFF0002E2E7CAD36>II119 D<7FFFF001FFFE007FFFF001FF FE007FFFF001FFFE0003FFC000FFE00000FF80007F8000007F80007E0000007F80007C00 00003FC000780000001FE000F00000000FF000E00000000FF001E000000007F803C00000 0003FC038000000003FC078000000001FE0F0000000000FF1E00000000007F9C00000000 007FBC00000000003FF800000000001FF000000000001FF000000000000FF00000000000 07F8000000000003F8000000000007FC00000000000FFE00000000001EFF00000000001C FF00000000003C7F8000000000783FC000000000703FC000000000F01FE000000001E00F F000000003C007F8000000038007F8000000078003FC0000000F0001FE0000000E0001FE 0000001E0000FF0000003C00007F8000007C00003FC00000FC00003FC00003FC00003FE0 000FFE00007FF800FFFF0001FFFFC0FFFF0001FFFFC0FFFF0001FFFFC0322F7DAE38>I E /Fr 22 119 df<000000000380000000000000000007C0000000000000000007C00000 00000000000007C000000000000000000FE000000000000000000FE00000000000000000 0FE000000000000000001FF000000000000000001FF000000000000000001FF000000000 000000003FF800000000000000003FF800000000000000003FF800000000000000007FFC 00000000000000007FFC0000000000000000FFFE0000000000000000E7FE000000000000 0000E7FE0000000000000001E7FF0000000000000001C3FF0000000000000001C3FF0000 000000000003C3FF800000000000000381FF800000000000000381FF8000000000000007 01FFC00000000000000700FFC00000000000000700FFC00000000000000E00FFE0000000 0000000E007FE00000000000000E007FE00000000000001C007FF00000000000001C003F F00000000000001C003FF000000000000038001FF800000000000038001FF80000000000 0078001FFC00000000000070000FFC00000000000070000FFC000000000000F0000FFE00 0000000000E00007FE000000000000E00007FE000000000001E00007FF000000000001C0 0003FF000000000001C00003FF000000000003800003FF800000000003800001FF800000 000003800001FF800000000007000001FFC00000000007000000FFC00000000007000000 FFC0000000000E000000FFE0000000000E0000007FE0000000000E0000007FE000000000 1C0000003FF0000000001FFFFFFFFFF0000000003FFFFFFFFFF8000000003FFFFFFFFFF8 000000003FFFFFFFFFF800000000780000001FFC00000000700000000FFC000000007000 00000FFC00000000F00000000FFE00000000E000000007FE00000000E000000007FE0000 0001C000000007FF00000001C000000003FF00000001C000000003FF0000000380000000 03FF800000038000000001FF800000038000000001FF800000070000000000FFC0000007 0000000000FFC000000F0000000000FFE000000E00000000007FE000000E00000000007F E000001E00000000007FF000001E00000000003FF000003E00000000003FF000007F0000 0000003FF80001FF80000000007FFC000FFFE000000001FFFE00FFFFFE0000007FFFFFFE FFFFFE0000007FFFFFFEFFFFFE0000007FFFFFFEFFFFFE0000007FFFFFFE4F557CD458> 65 DI68 D70 D82 D<00003FF00003000001FFFF0007000007FFFFC00700001FFFFF F00F00007FE00FF81F0000FF0000FE1F0001FC00003F3F0003F800001FBF0007F000000F FF000FE0000003FF001FC0000003FF001F80000001FF003F80000000FF003F000000007F 007F000000007F007F000000003F007E000000003F007E000000001F00FE000000001F00 FE000000001F00FE000000000F00FE000000000F00FE000000000F00FF000000000F00FF 000000000700FF800000000700FF800000000700FFC000000007007FC000000000007FE0 00000000007FF000000000003FFC00000000003FFE00000000001FFF80000000001FFFF8 000000000FFFFF8000000007FFFFF800000007FFFFFF80000003FFFFFFF0000001FFFFFF FE0000007FFFFFFF0000003FFFFFFFC000000FFFFFFFE0000003FFFFFFF80000007FFFFF FC0000000FFFFFFC00000000FFFFFE000000000FFFFF0000000000FFFF80000000001FFF 800000000007FFC00000000001FFC00000000000FFC000000000007FE000000000007FE0 00000000003FE000000000001FF000000000001FF0E0000000000FF0E0000000000FF0E0 000000000FF0E00000000007F0E00000000007F0E00000000007F0F00000000007F0F000 00000007F0F00000000007F0F00000000007E0F80000000007E0F8000000000FE0FC0000 00000FE0FC000000000FC0FE000000001FC0FF000000001F80FF800000003F80FFC00000 003F00FFE00000007E00FFF0000000FE00FCFC000001FC00FC7F000003F800F83FC0000F F000F80FFE007FC000F003FFFFFF8000E000FFFFFE0000E0003FFFF80000C00001FFC000 0034567AD341>I<3FFFFFFF00000FFFFFFC003FFFFFFF00000FFFFFFC003FFFFFFF0000 0FFFFFFC003FFFFFFF00000FFFFFFC00003FFFF8000001FFFF00000007FFE0000000FFF0 00000003FFC00000007FC000000003FFC00000003F8000000001FFC00000003E00000000 00FFE00000003E0000000000FFF00000003C00000000007FF00000007800000000003FF8 0000007000000000003FFC000000F000000000001FFC000001E000000000000FFE000001 C000000000000FFF00000380000000000007FF00000780000000000003FF800007000000 00000003FFC0000E00000000000001FFC0001E00000000000000FFE0003C000000000000 00FFF00038000000000000007FF00078000000000000003FF800F0000000000000003FFC 00E0000000000000001FFC01E0000000000000000FFE03C0000000000000000FFF038000 00000000000007FF07800000000000000003FF8F000000000000000003FFCE0000000000 00000001FFDE000000000000000000FFFC000000000000000000FFF80000000000000000 007FF80000000000000000003FF80000000000000000003FFC0000000000000000001FFC 0000000000000000000FFE0000000000000000000FFF00000000000000000007FF000000 0000000000000FFF8000000000000000000FFFC000000000000000001FFFC00000000000 0000003CFFE0000000000000000038FFF00000000000000000787FF00000000000000000 F03FF80000000000000000E03FFC0000000000000001C01FFC0000000000000003C00FFE 0000000000000003800FFF00000000000000070007FF000000000000000F0003FF800000 000000001E0003FFC00000000000001C0001FFC00000000000003C0000FFE00000000000 00780000FFF00000000000007000007FF0000000000000F000003FF8000000000001E000 003FFC000000000001C000001FFC000000000003C000000FFE0000000000078000000FFE 00000000000700000007FF00000000000F00000007FF80000000001E00000003FF800000 00001C00000001FFC0000000003C00000001FFE0000000007800000000FFE00000000070 000000007FF000000000F0000000007FF800000001F0000000003FF800000007F0000000 001FFC0000000FF8000000001FFE0000003FFC000000003FFF000003FFFF00000000FFFF C000FFFFFFC000000FFFFFFFE0FFFFFFC000000FFFFFFFE0FFFFFFC000000FFFFFFFE0FF FFFFC000000FFFFFFFE053527ED158>88 D<0000FFC0000000000FFFF8000000003FFFFE 00000000FF00FF80000001F0003FE0000003C0000FF0000007E00007F8000007F80003FC 00000FF80003FE00000FFC0001FE00000FFC0000FF00000FFC0000FF00000FFC0000FF00 000FFC00007F800007F800007F800001E000007F8000000000007F8000000000007F8000 000000007F8000000000007F8000000000007F8000000000007F80000000003FFF800000 000FFFFF80000000FFFC7F80000007FF007F8000001FF0007F8000007FC0007F800001FF 00007F800003FC00007F800007F800007F80000FF000007F80001FE000007F80003FE000 007F80003FC000007F80007F8000007F80007F8000007F8070FF8000007F8070FF000000 7F8070FF0000007F8070FF000000FF8070FF000000FF8070FF000000FF8070FF000001FF 8070FF800001BF80707F800003BF80707FC000073F80703FE0000F1FC0E01FF0001E1FC0 E00FF8003C0FE1C007FE01F00FFFC001FFFFE007FF80007FFF8003FE000007FC0000F800 34367BB43B>97 D<00000FFE000000007FFFE0000001FFFFF8000007F801FE00001FE000 1F00003F80000780007F00000FC000FE00003FC001FC00003FE003FC00007FE007F80000 7FE00FF000007FE00FF000007FE01FE000007FE01FE000003FC03FE000000F003FC00000 00003FC0000000007FC0000000007FC0000000007FC0000000007F8000000000FF800000 0000FF8000000000FF8000000000FF8000000000FF8000000000FF8000000000FF800000 0000FF8000000000FF8000000000FF8000000000FF80000000007F80000000007FC00000 00007FC0000000007FC0000000003FC0000000003FE0000000701FE0000000701FF00000 00F00FF0000000E00FF8000001E007F8000001E003FC000003C003FE0000038001FF0000 078000FF80000F00003FC0001E00001FE0007C000007FC03F0000003FFFFE00000007FFF 800000000FF800002C367CB434>99 D<0000000000FF000000000001FFFF000000000001 FFFF000000000001FFFF000000000001FFFF00000000000007FF00000000000001FF0000 0000000000FF00000000000000FF00000000000000FF00000000000000FF000000000000 00FF00000000000000FF00000000000000FF00000000000000FF00000000000000FF0000 0000000000FF00000000000000FF00000000000000FF00000000000000FF000000000000 00FF00000000000000FF00000000000000FF00000000000000FF00000000000000FF0000 0000000000FF00000000000000FF00000000000000FF00000000000000FF000000000000 00FF00000000000000FF000000000FF800FF000000007FFF00FF00000001FFFFE0FF0000 0007FC03F0FF0000001FE0007CFF0000003FC0003EFF0000007F00000FFF000000FE0000 07FF000001FC000003FF000003F8000003FF000007F8000001FF00000FF0000000FF0000 0FF0000000FF00001FE0000000FF00001FE0000000FF00003FC0000000FF00003FC00000 00FF00007FC0000000FF00007FC0000000FF00007FC0000000FF00007F80000000FF0000 FF80000000FF0000FF80000000FF0000FF80000000FF0000FF80000000FF0000FF800000 00FF0000FF80000000FF0000FF80000000FF0000FF80000000FF0000FF80000000FF0000 FF80000000FF0000FF80000000FF00007F80000000FF00007F80000000FF00007FC00000 00FF00007FC0000000FF00003FC0000000FF00003FC0000000FF00003FE0000000FF0000 1FE0000000FF00001FE0000000FF00000FF0000001FF000007F0000003FF000007F80000 03FF000003FC000007FF000001FE00000FFF000000FF00001EFF8000007F80007CFFE000 001FC000F8FFFF80000FF807E0FFFF800003FFFF80FFFF800000FFFE00FFFF8000001FF0 00FF000039547CD241>I<00000FF800000000FFFF00000003FFFFC000000FF80FF00000 1FC003FC00007F8001FE0000FF0000FF0001FE00007F8003FC00003F8003F800001FC007 F000001FC00FF000000FE00FE000000FE01FE000000FF01FE0000007F03FC0000007F03F C0000007F07FC0000007F87FC0000007F87F80000007F87F80000003F8FF80000003F8FF FFFFFFFFF8FFFFFFFFFFF8FFFFFFFFFFF8FF8000000000FF8000000000FF8000000000FF 8000000000FF8000000000FF8000000000FF8000000000FF80000000007F80000000007F C0000000007FC0000000003FC0000000003FC0000000003FE0000000381FE0000000381F E0000000780FF00000007007F0000000F007F8000000E003FC000001E001FE000003C000 FF00000380007F80000F80003FC0001F00000FF0003C000007FE01F8000001FFFFE00000 007FFF8000000007FC00002D367DB434>I<0000007F00000003FFE000000FFFF000003F C0F800007F01FC0001FE03FE0003FC07FE0003F807FE0007F807FE000FF007FE000FF007 FE001FE003FC001FE001F8001FE00000003FC00000003FC00000003FC00000003FC00000 003FC00000003FC00000003FC00000003FC00000003FC00000003FC00000003FC0000000 3FC00000003FC00000003FC00000003FC00000003FC00000003FC00000003FC00000003F C00000FFFFFFFE00FFFFFFFE00FFFFFFFE00FFFFFFFE00003FC00000003FC00000003FC0 0000003FC00000003FC00000003FC00000003FC00000003FC00000003FC00000003FC000 00003FC00000003FC00000003FC00000003FC00000003FC00000003FC00000003FC00000 003FC00000003FC00000003FC00000003FC00000003FC00000003FC00000003FC0000000 3FC00000003FC00000003FC00000003FC00000003FC00000003FC00000003FC00000003F C00000003FC00000003FC00000003FC00000003FC00000003FC00000003FC00000003FC0 0000003FC00000003FC00000003FE0000000FFF000007FFFFFF8007FFFFFF8007FFFFFF8 007FFFFFF80027547DD324>I<00000000001FC000003FE000FFE00001FFFC03FFF00007 FFFF07E1F8001FE03FCF01F8003F800FFC03F8007F0007F801F800FE0003F801F001FC00 01FC004003FC0001FE000003F80000FE000007F80000FF000007F80000FF000007F00000 7F00000FF000007F80000FF000007F80000FF000007F80000FF000007F80000FF000007F 80000FF000007F80000FF000007F80000FF000007F800007F000007F000007F80000FF00 0007F80000FF000003F80000FE000003FC0001FE000001FC0001FC000000FE0003F80000 007F0007F00000007F800FE0000000FFE03FC0000001C7FFFF00000001C1FFFC00000003 803FE0000000038000000000000380000000000003800000000000038000000000000380 000000000003C0000000000003C0000000000003E0000000000003F0000000000003F800 0000000001FFFFFFE0000001FFFFFFFF000000FFFFFFFFC00000FFFFFFFFF000003FFFFF FFFC00003FFFFFFFFE0000FFFFFFFFFF0003F800001FFF800FE0000001FFC01FC0000000 7FC03F800000001FE03F000000000FE07E000000000FE07E0000000007F0FE0000000007 F0FC0000000003F0FC0000000003F0FC0000000003F0FC0000000003F0FC0000000003F0 FE0000000007F07E0000000007E07F000000000FE03F800000001FC01FC00000003F800F E00000007F0007F0000000FE0003FC000003FC0000FF00000FF000003FF000FFC000000F FFFFFF00000001FFFFF8000000001FFF800000354E7DB43B>I<00FF8000000000FFFF80 00000000FFFF8000000000FFFF8000000000FFFF800000000003FF800000000000FF8000 000000007F8000000000007F8000000000007F8000000000007F8000000000007F800000 0000007F8000000000007F8000000000007F8000000000007F8000000000007F80000000 00007F8000000000007F8000000000007F8000000000007F8000000000007F8000000000 007F8000000000007F8000000000007F8000000000007F8000000000007F800000000000 7F8000000000007F8000000000007F8000000000007F8000000000007F8000000000007F 8000FFFFF8007F8000FFFFF8007F8000FFFFF8007F8000FFFFF8007F80003FFF80007F80 001FFC00007F80001FF000007F80001FC000007F80001F0000007F80003E0000007F8000 7C0000007F8000F80000007F8001F00000007F8003E00000007F8007800000007F800F00 0000007F801E000000007F803C000000007F80FC000000007F81FC000000007F83FE0000 00007F87FF000000007F8FFF000000007F9EFF800000007FBC7FC00000007FF83FC00000 007FF03FE00000007FE01FF00000007FC00FF00000007F800FF80000007F0007FC000000 7F0003FE0000007F0003FE0000007F0001FF0000007F0000FF8000007F00007F8000007F 00007FC000007F00003FE000007F00001FE000007F00001FF000007F00000FF800007F00 0007F800007F000007FC00007F000003FE00007F000003FF00007F000003FF8001FFC000 07FFE0FFFFFF803FFFFFFFFFFF803FFFFFFFFFFF803FFFFFFFFFFF803FFFFF38537DD23E >107 D<007F8000FFFF8000FFFF8000FFFF8000FFFF800003FF800000FF8000007F8000 007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000 007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000 007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000 007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000 007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000 007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000 007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000 007F8000007F8000007F8000007F8000007F8000007F8000007F800001FFE000FFFFFFC0 FFFFFFC0FFFFFFC0FFFFFFC01A537CD221>I<00FF0007FE000003FF000000FFFF001FFF C0000FFFE00000FFFF007FFFF0003FFFF80000FFFF01F80FFC00FC07FE0000FFFF03C003 FE01E001FF000003FF070001FE038000FF000000FF0E0000FF0700007F8000007F1C0000 7F8E00003FC000007F3800007F9C00003FC000007F3800007F9C00003FC000007F700000 3FF800001FE000007F6000003FF000001FE000007FE000003FF000001FE000007FC00000 3FE000001FE000007FC000003FE000001FE000007FC000003FE000001FE000007F800000 3FC000001FE000007F8000003FC000001FE000007F8000003FC000001FE000007F800000 3FC000001FE000007F8000003FC000001FE000007F8000003FC000001FE000007F800000 3FC000001FE000007F8000003FC000001FE000007F8000003FC000001FE000007F800000 3FC000001FE000007F8000003FC000001FE000007F8000003FC000001FE000007F800000 3FC000001FE000007F8000003FC000001FE000007F8000003FC000001FE000007F800000 3FC000001FE000007F8000003FC000001FE000007F8000003FC000001FE000007F800000 3FC000001FE000007F8000003FC000001FE000007F8000003FC000001FE000007F800000 3FC000001FE000007F8000003FC000001FE000007F8000003FC000001FE000007F800000 3FC000001FE000007F8000003FC000001FE000007F8000003FC000001FE000007F800000 3FC000001FE000007F8000003FC000001FE000007F8000003FC000001FE000007F800000 3FC000001FE00001FFE00000FFF000007FF800FFFFFFC07FFFFFE03FFFFFF0FFFFFFC07F FFFFE03FFFFFF0FFFFFFC07FFFFFE03FFFFFF0FFFFFFC07FFFFFE03FFFFFF05C347CB363 >I<00FF0007FC000000FFFF003FFF800000FFFF00FFFFE00000FFFF01F00FF80000FFFF 03C007FC000003FF070003FE000000FF0E0001FE0000007F1C0000FF0000007F380000FF 0000007F300000FF0000007F7000007F8000007F6000007F8000007FE000007F8000007F C000007F8000007FC000007F8000007FC000007F8000007F8000007F8000007F8000007F 8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F 8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F 8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F 8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F 8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F 8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F 8000007F8000007F8000007F8000007F800001FFE00001FFE000FFFFFFC0FFFFFFC0FFFF FFC0FFFFFFC0FFFFFFC0FFFFFFC0FFFFFFC0FFFFFFC03A347CB341>I<00000FFC000000 00007FFF8000000001FFFFE000000007F807F80000001FE001FE0000003F80007F000000 7E00001F800000FC00000FC00001F8000007E00003F8000007F00007F0000003F80007F0 000003F8000FE0000001FC000FE0000001FC001FC0000000FE001FC0000000FE003FC000 0000FF003FC0000000FF007F800000007F807F800000007F807F800000007F807F800000 007F80FF800000007FC0FF800000007FC0FF800000007FC0FF800000007FC0FF80000000 7FC0FF800000007FC0FF800000007FC0FF800000007FC0FF800000007FC0FF800000007F C0FF800000007FC07F800000007F807F800000007F807FC0000000FF807FC0000000FF80 3FC0000000FF003FC0000000FF001FC0000000FE001FE0000001FE000FE0000001FC000F F0000003FC0007F0000003F80003F8000007F00001FC00000FE00001FC00000FE000007F 00003F8000003F80007F0000001FE001FE00000007F807F800000003FFFFF0000000007F FF80000000000FFC00000032367CB43B>I<00FF001F80FFFF007FF0FFFF01FFF8FFFF03 E1FCFFFF0783FE03FF0F07FE00FF1E07FE007F1C07FE007F3807FE007F3007FE007F7003 FC007F6000F0007F600000007FE00000007FC00000007FC00000007FC00000007FC00000 007F800000007F800000007F800000007F800000007F800000007F800000007F80000000 7F800000007F800000007F800000007F800000007F800000007F800000007F800000007F 800000007F800000007F800000007F800000007F800000007F800000007F800000007F80 0000007F800000007F800000007F800000007F800000007F800000007F800000007FC000 0001FFE00000FFFFFFF000FFFFFFF000FFFFFFF000FFFFFFF00027347DB32E>114 D<0001C000000001C000000001C000000001C000000001C000000001C000000001C00000 0003C000000003C000000003C000000003C000000007C000000007C000000007C0000000 0FC00000000FC00000001FC00000001FC00000003FC00000007FC0000000FFC0000001FF C0000003FFC000001FFFFFFFE0FFFFFFFFE0FFFFFFFFE0FFFFFFFFE0003FC00000003FC0 0000003FC00000003FC00000003FC00000003FC00000003FC00000003FC00000003FC000 00003FC00000003FC00000003FC00000003FC00000003FC00000003FC00000003FC00000 003FC00000003FC00000003FC00000003FC00000003FC00000003FC00000003FC0000000 3FC00000003FC00000003FC00038003FC00038003FC00038003FC00038003FC00038003F C00038003FC00038003FC00038003FC00038003FC00038003FC00038003FC00038003FE0 0078001FE00070001FE00070000FF000F0000FF000E00007F801E00003FC03C00001FE07 800000FFFF0000003FFC00000007F000254B7EC92E>116 D<007F8000007F8000FFFF80 00FFFF8000FFFF8000FFFF8000FFFF8000FFFF8000FFFF8000FFFF800003FF800003FF80 0000FF800000FF8000007F8000007F8000007F8000007F8000007F8000007F8000007F80 00007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F80 00007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F80 00007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F80 00007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F80 00007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F80 00007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F8000007F80 0000FF8000007F800000FF8000007F800000FF8000007F800001FF8000007F800001FF80 00007F800001FF8000003F800003FF8000003FC000077F8000003FC000077F8000001FC0 000E7FC000000FE0001C7FF000000FF000787FFFC00003FC01F07FFFC00001FFFFE07FFF C000007FFF807FFFC0000007FC007F80003A357CB341>II E /Fs 6 86 df<00000000000F0000000000000000 0000000F00000000000000000000000F00000000000000000000001F8000000000000000 0000001F80000000000000000000003FC0000000000000000000003FC000000000000000 0000003FC0000000000000000000007FE0000000000000000000007FE000000000000000 0000007FE000000000000000000000FFF000000000000000000000FFF000000000000000 000000FFF000000000000000000001FFF800000000000000000001DFF800000000000000 000001DFF8000000000000000000039FFC000000000000000000038FFC00000000000000 0000038FFC000000000000000000070FFE0000000000000000000707FE00000000000000 00000F07FF0000000000000000000E03FF0000000000000000000E03FF00000000000000 00001E03FF8000000000000000001C01FF8000000000000000001C01FF80000000000000 00003C01FFC000000000000000003800FFC000000000000000003800FFC0000000000000 00007000FFE0000000000000000070007FE0000000000000000070007FE0000000000000 0000E0007FF00000000000000000E0003FF00000000000000000E0003FF0000000000000 0001C0003FF80000000000000001C0001FF80000000000000003C0001FFC000000000000 000380000FFC000000000000000380000FFC000000000000000780000FFE000000000000 0007000007FE0000000000000007000007FE000000000000000F000007FF000000000000 000E000003FF000000000000000E000003FF000000000000001C000003FF800000000000 001C000001FF800000000000001C000001FF8000000000000038000001FFC00000000000 0038000000FFC000000000000038000000FFC000000000000070000000FFE00000000000 00700000007FE0000000000000F00000007FF0000000000000E00000003FF00000000000 00E00000003FF0000000000001E00000003FF8000000000001C00000001FF80000000000 01C00000001FF8000000000003C00000001FFC000000000003FFFFFFFFFFFC0000000000 03FFFFFFFFFFFC000000000007FFFFFFFFFFFE000000000007FFFFFFFFFFFE0000000000 070000000007FE00000000000E0000000007FF00000000000E0000000003FF0000000000 0E0000000003FF00000000001C0000000003FF80000000001C0000000001FF8000000000 3C0000000001FFC000000000380000000000FFC000000000380000000000FFC000000000 780000000000FFE0000000007000000000007FE0000000007000000000007FE000000000 F000000000007FF000000000E000000000003FF000000000E000000000003FF000000001 C000000000003FF800000001C000000000001FF800000001C000000000001FF800000003 8000000000001FFC000000038000000000000FFC000000038000000000000FFC00000007 0000000000000FFE0000000700000000000007FE0000000F00000000000007FF0000000F 00000000000003FF0000001F00000000000003FF0000003F80000000000003FF8000007F C0000000000003FF800001FFE0000000000007FFC0000FFFF800000000001FFFF000FFFF FF0000000007FFFFFFF0FFFFFF0000000007FFFFFFF0FFFFFF0000000007FFFFFFF0FFFF FF0000000007FFFFFFF05C657DE463>65 DI75 D<0000000001FFE00000000000000000003FFFFF000000000000000001FFFFFFE0000000 0000000007FF003FF8000000000000001FF00003FE000000000000007FC00000FF800000 00000001FF0000003FE0000000000003FC0000000FF000000000000FF000000003FC0000 0000001FE000000001FE00000000003FC000000000FF00000000007F80000000007F8000 000000FF00000000003FC000000001FE00000000001FE000000003FC00000000000FF000 000007F8000000000007F80000000FF0000000000003FC0000001FE0000000000001FE00 00003FE0000000000001FF0000003FC0000000000000FF0000007FC0000000000000FF80 0000FF800000000000007FC00000FF800000000000007FC00001FF000000000000003FE0 0001FF000000000000003FE00003FE000000000000001FF00003FE000000000000001FF0 0007FC000000000000000FF80007FC000000000000000FF8000FFC000000000000000FFC 000FF80000000000000007FC001FF80000000000000007FE001FF80000000000000007FE 001FF80000000000000007FE003FF00000000000000003FF003FF00000000000000003FF 003FF00000000000000003FF003FF00000000000000003FF007FF00000000000000003FF 807FF00000000000000003FF807FE00000000000000001FF807FE00000000000000001FF 807FE00000000000000001FF807FE00000000000000001FF80FFE00000000000000001FF C0FFE00000000000000001FFC0FFE00000000000000001FFC0FFE00000000000000001FF C0FFE00000000000000001FFC0FFE00000000000000001FFC0FFE00000000000000001FF C0FFE00000000000000001FFC0FFE00000000000000001FFC0FFE00000000000000001FF C0FFE00000000000000001FFC0FFE00000000000000001FFC0FFE00000000000000001FF C0FFE00000000000000001FFC0FFE00000000000000001FFC07FF00000000000000003FF 807FF00000000000000003FF807FF00000000000000003FF807FF00000000000000003FF 807FF00000000000000003FF803FF00000000000000003FF003FF80000000000000007FF 003FF80000000000000007FF003FF80000000000000007FF001FF80000000000000007FE 001FF80000000000000007FE001FFC000000000000000FFE000FFC000000000000000FFC 000FFC000000000000000FFC0007FE000000000000001FF80007FE000000000000001FF8 0007FE000000000000001FF80003FF000000000000003FF00003FF000000000000003FF0 0001FF800000000000007FE00000FF800000000000007FC00000FFC0000000000000FFC0 00007FC0000000000000FF8000003FE0000000000001FF0000003FF0000000000003FF00 00001FF0000000000003FE0000000FF8000000000007FC00000007FC00000000000FF800 000003FC00000000000FF000000003FE00000000001FF000000001FF00000000003FE000 000000FF80000000007FC0000000003FC000000000FF00000000001FF000000003FE0000 0000000FF800000007FC000000000007FC0000000FF8000000000001FF0000003FE00000 000000007FC00000FF800000000000001FF00003FE0000000000000007FF003FF8000000 0000000001FFFFFFE000000000000000003FFFFF00000000000000000001FFE000000000 005A667AE367>79 D<3FFFFFFFFFFFFFFFFFFFF83FFFFFFFFFFFFFFFFFFFF83FFFFFFFFF FFFFFFFFFFF83FFFFFFFFFFFFFFFFFFFF83FFFC00003FFC00003FFF83FFC000001FF8000 007FF83FF0000001FF8000000FF83FC0000001FF80000007F87F80000001FF80000003FC 7F00000001FF80000001FC7E00000001FF80000000FC7C00000001FF800000007C7C0000 0001FF800000007C7C00000001FF800000007C7800000001FF800000003C7800000001FF 800000003C7800000001FF800000003C7800000001FF800000003C7000000001FF800000 001C7000000001FF800000001C7000000001FF800000001C7000000001FF800000001C70 00000001FF800000001C7000000001FF800000001CF000000001FF800000001EE0000000 01FF800000000EE000000001FF800000000EE000000001FF800000000EE000000001FF80 0000000EE000000001FF800000000EE000000001FF800000000EE000000001FF80000000 0E0000000001FF80000000000000000001FF80000000000000000001FF80000000000000 000001FF80000000000000000001FF80000000000000000001FF80000000000000000001 FF80000000000000000001FF80000000000000000001FF80000000000000000001FF8000 0000000000000001FF80000000000000000001FF80000000000000000001FF8000000000 0000000001FF80000000000000000001FF80000000000000000001FF8000000000000000 0001FF80000000000000000001FF80000000000000000001FF80000000000000000001FF 80000000000000000001FF80000000000000000001FF80000000000000000001FF800000 00000000000001FF80000000000000000001FF80000000000000000001FF800000000000 00000001FF80000000000000000001FF80000000000000000001FF800000000000000000 01FF80000000000000000001FF80000000000000000001FF80000000000000000001FF80 000000000000000001FF80000000000000000001FF80000000000000000001FF80000000 000000000001FF80000000000000000001FF80000000000000000001FF80000000000000 000001FF80000000000000000001FF80000000000000000001FF80000000000000000001 FF80000000000000000001FF80000000000000000001FF80000000000000000001FF8000 0000000000000001FF80000000000000000001FF80000000000000000001FF8000000000 0000000001FF80000000000000000001FF80000000000000000001FF8000000000000000 0001FF80000000000000000001FF80000000000000000001FF80000000000000000001FF 80000000000000000001FF80000000000000000001FF80000000000000000001FF800000 00000000000003FFC0000000000000000003FFC000000000000000001FFFF80000000000 0001FFFFFFFFFF800000000001FFFFFFFFFF800000000001FFFFFFFFFF800000000001FF FFFFFFFF80000057627CE160>84 DI E end %%EndProlog %%BeginSetup %%Feature: *Resolution 600dpi TeXDict begin %%PaperSize: Letter %%EndSetup %%Page: 0 1 0 0 bop 1579 628 a Fs(A)l(UTOBK)612 1001 y Fr(Automated)35 b(Bac)m(kground)i(Remo)m(v)-7 b(al)36 b(for)i(XAFS)h(Data)p 150 1513 3450 13 v 150 1656 a Fq(a)n(utobk)29 b Fp(w)m(as)j(written)e (with)f(the)i(guidance)g(and)f(encouragemen)m(t)j(of)e(Edw)m(ard)f(A.)h (Stern)f(at)i(the)150 1769 y(Univ)m(ersit)m(y)i(of)h(W)-8 b(ashington.)53 b(The)34 b(idea)g(for)g(the)h(main)f(algorithm)f(used)h (in)f Fq(a)n(utobk)g Fp(\(that)j(is,)150 1882 y(adjusting)h(the)h(bac)m (kground)g(un)m(til)e(the)j(lo)m(w-frequency)f(comp)s(onen)m(ts)g(of)g (the)h(resulting)d(XAFS)150 1995 y(matc)m(h)30 b(those)f(of)g(a)g(mo)s (del)e(calculation\))h(w)m(as)i(\014rst)d(suggested)j(to)f(me)g(b)m(y)g (Yizhak)f(Y)-8 b(acob)m(y)g(.)42 b(With)150 2108 y(great)e(help)d(from) h(P)m(\026)-43 b(eteris)39 b(L)-10 b(\026)-35 b(\020vi)5 b(\030)-45 b(n)-5 b(\024)-41 b(s,)39 b(Ed)f(Stern,)i(and)d(Yizhak)h(Y) -8 b(acob)m(y)g(,)43 b Fq(a)n(utobk)37 b Fp(ev)m(olv)m(ed)i(from)150 2221 y(this)30 b(algorithm,)h(the)g(application)e(of)i(information)f (theory)h(to)h(XAFS)f(analysis,)f(and)h(the)g(desire)150 2334 y(for)i(an)h(automated)h(w)m(a)m(y)f(to)h(reliably)c(separate)j (XAFS)g(signal)f(and)g(bac)m(kground)g(with)f(as)i(little)150 2446 y(input)e(from)h(the)h(user)f(as)h(p)s(ossible.)49 b(I)33 b(also)h(thank)f(Daniel)g(Hask)m(el,)j(Mao)m(xu)f(Qian,)e(John)g (Rehr,)150 2559 y(Bruce)e(Ra)m(v)m(el,)g(Stev)m(e)h(Zabinsky)c(and)i(Y) -8 b(anjun)29 b(Zhang)h(for)g(man)m(y)h(useful)d(suggestions.)p 150 2702 V 407 3144 a(Matthew)k(Newville)384 b(e-mail:)475 b(newville@cars.uc)m(hicago.edu)407 3257 y(GSECARS,)30 b(Bldg)g(434A)201 b(www:)144 b(h)m(ttp://cars.uc)m(hicago.edu/)p Fo(\030)p Fp(newville/)407 3370 y(Argonne)31 b(National)f(Lab)220 b(v)m(oice:)1018 b(\(630\))32 b(252-0431)407 3483 y(Argonne,)f(IL)f (60439)374 b(fax:)1093 b(\(630\))32 b(252-0443)407 3695 y Fq(a)n(utobk)d Fp(v)m(ersion)h(2.63)1615 b(Marc)m(h,)31 b(1997)291 5121 y(Cop)m(yrigh)m(t)743 5118 y(c)718 5121 y Fo(\015)f Fp(1997)i(Matthew)g(Newville)p 150 5264 V eop %%Page: 1 2 1 1 bop 150 -200 a Fn(CONTENTS)2907 b Fp(i)150 191 y Fm(Con)l(ten)l(ts)150 395 y Fl(1)84 b(In)m(tro)s(duction)2686 b(1)150 599 y(2)84 b(Input)35 b(and)g(Output)f(Files)2188 b(3)286 711 y Fp(2.1)94 b(Input)29 b(Files)89 b(.)46 b(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)f(.)h(.)g (.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)175 b(3)286 824 y(2.2)94 b(Output)30 b(Files)86 b(.)46 b(.)f(.)h(.)g(.)f(.) h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h (.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)175 b(3)286 937 y(2.3)94 b(Data)32 b(File)e(F)-8 b(ormats)78 b(.)46 b(.)f(.)h(.)g(.)g (.)f(.)h(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.) f(.)h(.)g(.)f(.)h(.)g(.)g(.)175 b(3)150 1141 y Fl(3)84 b(A)m(UTOBK.INP)2576 b(5)286 1254 y Fp(3.1)94 b(General)31 b(F)-8 b(ormat)31 b(of)g(A)m(UTOBK.INP)89 b(.)46 b(.)g(.)f(.)h(.)g(.)g (.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)175 b(5)286 1367 y(3.2)94 b(Keyw)m(ords)65 b(.)46 b(.)g(.)g(.)f(.)h(.)g(.)f (.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.) h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)175 b(5)495 1480 y(3.2.1)106 b(General)31 b(and)e(Miscellaneous)h(Keyw)m(ords)d(.)46 b(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)175 b(5)495 1593 y(3.2.2)106 b(Data)32 b(Input)d(and)h(Output)f(Keyw)m (ords)71 b(.)46 b(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h (.)g(.)g(.)175 b(5)495 1706 y(3.2.3)106 b(Energy)30 b(Origin,)f (Pre-Edge,)i(and)f(Normalization)f(Keyw)m(ords)83 b(.)45 b(.)h(.)g(.)g(.)175 b(7)495 1819 y(3.2.4)106 b(F)-8 b(ourier)30 b(T)-8 b(ransform)30 b(P)m(arameters)h(and)f(Fitting)g(Ranges)71 b(.)45 b(.)h(.)g(.)f(.)h(.)g(.)g(.)175 b(7)150 2022 y Fl(4)84 b(Energy)35 b(Origin,)g(Pre-Edge,)g(and)g(Normalization)1154 b(10)150 2226 y(5)84 b(P)m(ost-Edge)36 b(Bac)m(kground)g(F)-9 b(unction)1730 b(11)286 2339 y Fp(5.1)94 b(Ov)m(erview)83 b(.)46 b(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.) f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g (.)129 b(11)286 2452 y(5.2)94 b(Information)30 b(theory)g(and)g(XAFS)24 b(.)46 b(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.) f(.)h(.)g(.)f(.)h(.)g(.)g(.)129 b(11)286 2565 y(5.3)94 b(Using)30 b(Splines)e(to)j(Appro)m(ximate)f Fk(\026)1774 2579 y Fj(0)1813 2565 y Fp(\()p Fk(E)5 b Fp(\))56 b(.)46 b(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g (.)g(.)129 b(12)286 2678 y(5.4)94 b(The)30 b(Optimization)f(of)h Fk(\026)1396 2692 y Fj(0)1436 2678 y Fp(\()p Fk(E)5 b Fp(\))80 b(.)45 b(.)h(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f (.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)129 b(13)150 2882 y Fl(6)84 b(Examples)2770 b(15)286 2995 y Fp(6.1)94 b(Pure)30 b(Cu)g(example)46 b(.)g(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f (.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.) h(.)g(.)g(.)129 b(15)286 3108 y(6.2)94 b(F)-8 b(urther)31 b(Examples)23 b(.)46 b(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)f (.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.) 129 b(17)286 3220 y(6.3)94 b(Suggestions)65 b(.)46 b(.)g(.)f(.)h(.)g(.) f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f (.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)129 b(18)150 3507 y Fm(List)45 b(of)h(Figures)286 3710 y Fp(1)164 b(Bac)m(kground)31 b Fk(\026)1054 3724 y Fj(0)1094 3710 y Fp(\()p Fk(E)5 b Fp(\))31 b(for)f(pure)g(Cu)f(found)g(b)m(y)h Fq(a)n(utobk)i Fp(.)46 b(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.) 129 b(16)286 3823 y(2)164 b(Resulting)29 b Fk(\037)p Fp(\()p Fk(k)s Fp(\))i(for)f(pure)g(Cu)f(found)g(b)m(y)i Fq(a)n(utobk)48 b Fp(.)d(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.) g(.)g(.)129 b(17)150 4109 y Fm(List)45 b(of)h(T)-11 b(ables)286 4312 y Fp(1)164 b(T)-8 b(able)30 b(1)90 b(.)45 b(.)h(.)g(.)g(.)f(.)h(.) g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g (.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)175 b(4)286 4425 y(2)164 b(T)-8 b(able)30 b(2)90 b(.)45 b(.)h(.)g(.)g(.)f(.)h(.)g (.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.) f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)175 b(9)286 4538 y(3)164 b(T)-8 b(able)30 b(3)90 b(.)45 b(.)h(.)g(.)g(.)f(.)h(.)g (.)f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)f(.)h(.)g(.) f(.)h(.)g(.)g(.)f(.)h(.)g(.)f(.)h(.)g(.)g(.)129 b(18)p eop %%Page: 1 3 1 2 bop 150 191 a Fm(1)135 b(In)l(tro)t(duction)150 394 y Fq(a)n(utobk)p Fp([1)o(])36 b(remo)m(v)m(es)h(the)f(bac)m(kground)f (from)g(x-ra)m(y)i(absorption)d(data)i(in)f(a)h(reliable)d(and)i(rea-) 150 507 y(sonably)29 b(easy-to-use)j(manner.)40 b(The)30 b(XAFS)h(is)e(formed)h(using)f(the)h(relation)1393 748 y Fk(\037)p Fp(\()p Fk(E)5 b Fp(\))27 b(=)1725 687 y([)p Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))21 b Fo(\000)f Fk(\026)2114 701 y Fj(0)2153 687 y Fp(\()p Fk(E)5 b Fp(\)])p 1725 727 597 4 v 1849 811 a(\001)p Fk(\026)1980 825 y Fj(0)2019 811 y Fp(\()p Fk(E)2121 825 y Fj(0)2161 811 y Fp(\))2331 748 y Fk(;)1128 b Fp(\(1\))150 996 y(where)37 b Fk(E)487 1010 y Fj(0)564 996 y Fp(is)f(the)i(absorption)e(edge)i(energy)-8 b(,)40 b Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))39 b(is)d(the)i(measured)f (absorption)f(co)s(e\016cien)m(t,)150 1109 y Fk(\026)205 1123 y Fj(0)244 1109 y Fp(\()p Fk(E)5 b Fp(\))23 b(is)e(the)g(smo)s (oth,)j(atomic-lik)m(e)e(absorption)f(co)s(e\016cien)m(t)h(past)g(the)g (edge,)i(and)d(\001)p Fk(\026)3153 1123 y Fj(0)3192 1109 y Fp(\()p Fk(E)3294 1123 y Fj(0)3334 1109 y Fp(\))h(is)f(the)150 1222 y(jump)30 b(in)g(the)h(absorption)f(co)s(e\016cien)m(t)i(at)g(the) g(edge)g(step.)43 b Fk(\037)p Fp(\()p Fk(E)5 b Fp(\),)33 b(a)f(function)e(of)h(photo-electron)150 1335 y(energy)-8 b(,)49 b(is)43 b(con)m(v)m(erted)j(in)m(to)e Fk(\037)p Fp(\()p Fk(k)s Fp(\),)49 b(a)c(function)e(of)h(photo-electron)h(momen)m (tum)f(using)f Fk(k)3441 1302 y Fj(2)3529 1335 y Fp(=)150 1447 y(2)p Fk(m)p Fp(\()p Fk(E)26 b Fo(\000)20 b Fk(E)561 1461 y Fj(0)601 1447 y Fp(\))p Fk(=)p Fp(\026)-45 b Fk(h)734 1411 y Fj(2)802 1447 y Fp(.)40 b(The)29 b Fq(a)n(utobk)e Fp(requires)h(v)m(ery)h(little)f(prior)g(kno)m(wledge)h(of)g(the)g (system)g(b)s(eing)150 1560 y(studied)j(to)j(extract)g Fk(\037)p Fp(\()p Fk(k)s Fp(\))g(from)f Fk(\026)p Fp(\()p Fk(E)5 b Fp(\).)52 b(The)33 b(resulting)f Fk(\037)p Fp(\()p Fk(k)s Fp(\))j(has)f(the)g(atomic-lik)m(e)g(absorption)150 1673 y(con)m(tributions)26 b(remo)m(v)m(ed,)j(but)d(retains)h(essen)m (tially)f(all)g(the)h(lo)s(cal)g(structural)f(information)f(ab)s(out) 150 1786 y(the)e(near-neigh)m(b)s(or)e(en)m(vironmen)m(t)i(of)f(the)h (absorbing)e(atom.)39 b(It)23 b(is)f(then)g(ready)g(for)h(a)g(more)g (careful)150 1899 y(analysis)29 b(of)h(the)h(e\013ect)h(of)e(the)h(lo)s (cal)f(structure)g(on)g(the)g(XAFS.)291 2012 y(The)g(imp)s(ortan)m(t)g (steps)g(of)g(bac)m(kground)h(remo)m(v)-5 b(al)30 b(can)h(b)s(e)f(seen) g(from)g(Eq.)g(\(1\))i(to)f(b)s(e:)261 2195 y(1.)46 b(Determine)31 b(the)f(edge)h(energy)g Fk(E)1542 2209 y Fj(0)1582 2195 y Fp(.)261 2344 y(2.)46 b(Determine)31 b(the)f(normalization)f(constan) m(t)j(\001)p Fk(\026)2051 2358 y Fj(0)2090 2344 y Fp(\()p Fk(E)2192 2358 y Fj(0)2232 2344 y Fp(\).)261 2494 y(3.)46 b(Determine)31 b(the)f(p)s(ost-edge)h(bac)m(kground)f(function)g Fk(\026)2286 2508 y Fj(0)2325 2494 y Fp(\()p Fk(E)5 b Fp(\).)150 2677 y(Steps)38 b(1)g(and)f(2)i(are)f(not)g(di\016cult,)g (and)g(will)d(b)s(e)i(discussed)f(further)h(in)f(c)m(hapter)j(4.)64 b(Step)38 b(3)g(is)150 2790 y(the)d(hard)f(part.)54 b(The)35 b(problem)e(is)h(that)h(the)g(true)g(atomic-lik)m(e)g(absorption)f (\(that)i(is,)f(the)g(non-)150 2903 y(XAFS)k(absorption\))f(will)d(ha)m (v)m(e)40 b(some)f(smo)s(oth)g(energy)f(dep)s(endence,)i(but)e(nob)s(o) s(dy)f(kno)m(ws)i(its)150 3016 y(form.)55 b(The)35 b(absorption)g(of)g (an)h(isolated)f(cen)m(tral)g(atom)i(isn't)d(go)s(o)s(d)i(enough)f({)h Fk(\026)3074 3030 y Fj(0)3113 3016 y Fp(\()p Fk(E)5 b Fp(\))36 b(\(the)g(so-)150 3129 y(called)23 b(em)m(b)s(edded)f(atom)j (absorption\))e(is)f(the)i(absorption)f(of)g(the)h(cen)m(tral)g(atom)h (in)d(the)i(electronic)150 3241 y(en)m(vironmen)m(t)30 b(of)g(the)g(solid)e(but)h(without)g(the)i(scattering)f(from)g(the)g (neigh)m(b)s(oring)e(atoms.)41 b(Since)150 3354 y(it)d(is)g(not)h (usually)e(p)s(ossible)f(to)k(measure)e Fk(\026)1726 3368 y Fj(0)1766 3354 y Fp(\()p Fk(E)5 b Fp(\))39 b(directly)-8 b(,)41 b(it)d(is)g(appro)m(ximated)g(b)m(y)h(a)g(smo)s(oth)150 3467 y(function)32 b(whic)m(h)h(has)g(some)i(\015exibilit)m(y)30 b(and)k(whic)m(h)e(can)i(b)s(e)f(adjusted)g(to)i(giv)m(e)f(some)g(sort) g(of)g(\014t)150 3580 y(to)d(the)g(measured)e(absorption)h(data.)291 3693 y Fq(a)n(utobk)j Fp(\014nds)h Fk(\026)935 3707 y Fj(0)974 3693 y Fp(\()p Fk(E)5 b Fp(\))36 b(using)d(concepts)j(from)e (F)-8 b(ourier)35 b(signal)e(analysis)h(to)h(assist)g(the)g(fun-)150 3806 y(damen)m(tal)e(ph)m(ysical)f(ideas)g(b)s(ehind)e(the)k (separation)e(of)i(XAFS)f(and)f(bac)m(kground.)49 b(A)33 b(piecewise)150 3919 y(p)s(olynomial,)39 b(or)h(spline,)f(is)g(used)f (to)j(appro)m(ximate)e Fk(\026)2098 3933 y Fj(0)2137 3919 y Fp(\()p Fk(E)5 b Fp(\).)69 b(The)39 b(spline)e(is)i(adjusted)g (so)g(that)150 4032 y(the)32 b(lo)m(w-)p Fi(R)37 b Fp(comp)s(onen)m(ts) 32 b(of)h(the)f(resulting)e(XAFS)44 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))32 b(\(that)i(is,)e(after)g(a)h(F)-8 b(ourier)32 b(T)-8 b(ransform)150 4145 y(of)36 b Fk(\037)p Fp(\()p Fk(k)s Fp(\)\))h(are)f(optimized.)56 b(This)34 b(optimization)h(is)g(discussed)e(in)i(more)h(detail)f(in)f(c)m(hapter) j(5)f(|)150 4258 y(the)27 b(idea)g(is)g(to)h(eliminate)e(the)h (non-structural)f(parts)h(of)38 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))28 b(at)g(lo)m(w-)p Fi(R)t Fp(.)f Fq(a)n(utobk)f Fp(con)m(trols)i(the)150 4371 y(sti\013ness)23 b(of)h Fk(\026)638 4385 y Fj(0)678 4371 y Fp(\()p Fk(E)5 b Fp(\))25 b(in)m(ternally)-8 b(,)24 b(as)g(determined)f(b)m(y)h(the)g(size)g(of)g (the)h(lo)m(w-)p Fi(R)j Fp(\\bac)m(kground")c(range.)150 4483 y(This)31 b(giv)m(es)j(a)f(fairly)e(clear)i(de\014nition)e(of)i (the)g(bac)m(kground)g(\(as)g(the)h(lo)m(w-)p Fi(R)i Fp(comp)s(onen)m(ts)e(of)f(the)150 4596 y(absorption\),)i(and)f (reduces)g(the)h(sub)5 b(jectivit)m(y)33 b(inheren)m(t)g(in)h(bac)m (kground)g(remo)m(v)-5 b(al.)53 b(The)34 b(result)150 4709 y(is)26 b(that)i Fq(a)n(utobk)e Fp(will)e(\014nd)i(a)h(reasonably) g(go)s(o)s(d)g(bac)m(kground)g(without)f(a)i(lot)f(of)g(pla)m(ying)f (around)150 4822 y(with)37 b(the)i(data.)65 b(In)38 b(fact,)j(only)d (one)g(parameter)h(in)e(the)i(program)f(has)g(a)h(profound)d(e\013ect)k (on)150 4935 y Fk(\037)p Fp(\()p Fk(k)s Fp(\),)28 b(and)e(this)g(\(the) h(endp)s(oin)m(t)e(of)h(the)h(lo)m(w-)p Fi(R)j Fp(range\))d(has)g(at)g (least)g(some)g(ph)m(ysical)e(signi\014cance.)291 5048 y Fq(a)n(utobk)40 b Fp(is)g(not)i(the)f(only)g(metho)s(d)f(of)i(XAFS)f (bac)m(kground)g(remo)m(v)-5 b(al,)45 b(of)c(course.)74 b(Most)150 5161 y(standard)25 b(reviews)g([2,)h(3])g(describ)s(e)e(bac) m(kground)i(remo)m(v)-5 b(al,)27 b(and)e(an)g(excellen)m(t)h (description)e(of)i(the)150 5274 y(\\classic")j(metho)s(d)g(of)g(bac)m (kground)g(remo)m(v)-5 b(al)29 b(is)f(giv)m(en)h(b)m(y)g(Sa)m(y)m(ers)h (and)e(Bunk)m(er)h([4)q(].)40 b(There)29 b(ha)m(v)m(e)150 5387 y(b)s(een)e(a)h(v)-5 b(ariet)m(y)28 b(of)f(approac)m(hes)h(to)h (impro)m(v)m(e)e(this)g(metho)s(d.)39 b(Stern,)27 b(L)-10 b(\026)-35 b(\020vi)5 b(\030)-45 b(n)-5 b(\024)-41 b(s,)27 b(and)g(Zhang)g([5)q(])h(used)150 5500 y(the)c(temp)s(erature-dep)s (endence)e(of)i Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))24 b(to)g Fi(me)-5 b(asur)g(e)32 b Fp(a)24 b(few)f(selected)h(p)s(oin)m(ts)e(of)i (the)f(bac)m(kground)1852 5749 y(1)p eop %%Page: 2 4 2 3 bop 150 191 a Fk(\026)205 205 y Fj(0)244 191 y Fp(\()p Fk(E)5 b Fp(\))33 b(for)f(pure)f(Pb)g(\(unfortunately)-8 b(,)33 b(this)d(metho)s(d)i(requires)f(temp)s(erature-dep)s(enden)m(t)g (XAFS)150 304 y(data)21 b(for)f(a)h(system)f(dominated)g(b)m(y)g (single)f(scattering\).)38 b(A)21 b(more)f(general)g(approac)m(h)h(b)m (y)f(Co)s(ok)h(and)150 417 y(Sa)m(y)m(ers)32 b([6)q(])g(smo)s(oths)f (the)h(measured)e Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))33 b(to)f(get)h(an)e(appro)m(ximation)g(of)g Fk(\026)2870 431 y Fj(0)2909 417 y Fp(\()p Fk(E)5 b Fp(\).)46 b(A)31 b(tec)m(hnique)150 530 y(b)m(y)44 b(Li,)i(Bridges,)h(and)d(Bro)m(wn)f ([7)q(])h(uses)g Fq(feff)e Fp(calculations)h(of)h(the)g(XAFS)g Fk(\037)g Fp(to)h(determine)150 643 y(the)d(bac)m(kground)g(as)g(a)g (smo)s(othed)f(v)m(ersion)h(of)g Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))42 b({)h Fk(\037)p Fp(\()p Fk(E)5 b Fp(\).)75 b Fq(a)n(utobk)41 b Fp(has)g(some)i(ob)m(vious)150 756 y(similarities)33 b(to)38 b(eac)m(h)g(of)f(these)h(metho)s(ds.)60 b(Finally)-8 b(,)37 b(attempts)h(to)g(calculate)f Fk(\026)3002 770 y Fj(0)3041 756 y Fp(\()p Fk(E)5 b Fp(\))38 b(from)f(\014rst)150 868 y(principles)17 b([8)q(])k(ha)m(v)m(e)h(b)s(een)e(partially)f (successful,)i(and)g(sho)m(w)f(promise)g(for)g(practical)h(data)g (analysis.)150 981 y(Suc)m(h)30 b(theoretical)g(adv)-5 b(ancemen)m(ts)32 b(ha)m(v)m(e)f(not)g(b)s(een)f(included)d(in)i Fq(a)n(utobk)p Fp(.)1852 5749 y(2)p eop %%Page: 3 5 3 4 bop 150 191 a Fm(2)135 b(Input)44 b(and)h(Output)f(Files)150 397 y Fh(2.1)112 b(Input)38 b(Files)150 569 y Fp(T)-8 b(o)23 b(run)d Fq(a)n(utobk)h Fp(y)m(ou)i(need)e(an)i(input)d(\014le)h (named)h Fg(autobk.inp)d Fp(whic)m(h)i(will)f(con)m(trol)i(the)h (running)150 682 y(of)36 b(the)g(program)f(and)h(a)g(data)g(\014le)f (con)m(taining)g(measured)g(absorption)g(data)i Fk(\026)p Fp(\()p Fk(E)5 b Fp(\).)57 b(The)35 b(form)150 795 y(and)c(con)m(ten)m (ts)i(of)f Fg(autobk.inp)d Fp(will)g(b)s(e)i(further)f(discussed)f(in)i (c)m(hapter)h(3.)45 b(The)31 b(\014le)f(con)m(taining)150 908 y Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))29 b(will)d(b)s(e)i(discussed)e (in)h(section)i(2.3.)41 b(An)28 b(optional)g(input)e(data)j(\014le)f (con)m(taining)g(a)h(standard)150 1020 y Fk(\037)p Fp(\()p Fk(k)s Fp(\))c(can)f(also)h(b)s(e)e(giv)m(en.)39 b(The)24 b(purp)s(ose)e(of)j(this)e(standard)g Fk(\037)p Fp(\()p Fk(k)s Fp(\))i(will)d(b)s(e)h(discussed)g(in)f(c)m(hapter)j(5.)150 1133 y(The)32 b(input)e(data)j(\014le)e(names)h(can)g(b)s(e)g(an)m(y)g (v)-5 b(alid)31 b(\014lenames)g(up)g(to)i(70)g(c)m(haracters)g(long)f (allo)m(w)m(ed)150 1246 y(on)c(y)m(our)h(system)f(\(sub)s(directory)f (paths)h(can)h(b)s(e)e(giv)m(en)i(on)f(most)h(systems\))g(and)e(will)f (b)s(e)i(giv)m(en)g(in)150 1359 y Fg(autobk.inp)p Fp(.)38 b(In)30 b(summary)-8 b(,)29 b(there)i(are)g(three)f(inputs:)261 1546 y(1.)77 b Fg(autobk.inp)p Fp(,)27 b(the)k(input)d(\014le)i(for)g (the)h(program.)261 1697 y(2.)77 b(A)30 b(data)h(\014le)f(con)m (taining)g(the)g Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))31 b(of)g(whic)m(h)e(the)h(the)h(bac)m(kground)f(is)g(to)h(b)s(e)e(found.) 261 1847 y(3.)77 b(A)30 b(data)h(\014le)f(con)m(taining)g(the)g (standard)g Fk(\037)p Fp(\()p Fk(k)s Fp(\).)41 b(\(optional\))150 2090 y Fh(2.2)112 b(Output)38 b(Files)150 2262 y Fp(After)d(the)g(bac)m (kground)f(is)g(found,)h Fq(a)n(utobk)e Fp(will)f(write)i Fg(autobk.log)p Fp(,)f(con)m(taining)i(a)g(synopsis)150 2375 y(of)h(the)h(program)f(inputs)e(and)i(outputs.)58 b(An)36 b(output)g(data)h(\014le)e(for)h(the)h Fk(\037)p Fp(\()p Fk(k)s Fp(\))g(found)e(from)h(the)150 2488 y(bac)m(kground)24 b(remo)m(v)-5 b(al)25 b(will)c(also)j(b)s(e)g(written.)38 b(There)23 b(are)i(sev)m(eral)g(additional)d(data)j(\014les)e(that)i (can)150 2601 y(b)s(e)f(written,)i(eac)m(h)g(of)f(whic)m(h)f(con)m (tains)h(di\013eren)m(t)g(w)m(a)m(ys)h(of)f(represen)m(ting)f(data)i (in)e(the)h(bac)m(kground)150 2714 y(remo)m(v)-5 b(al)21 b(pro)s(cess.)37 b(Man)m(y)22 b(of)f(these)g(are)g(of)g(only)f (diagnostic)g(in)m(terest,)k(but)c(some)h(\(esp)s(ecially)e(those)150 2826 y(represen)m(ting)30 b Fk(\026)719 2840 y Fj(0)758 2826 y Fp(\()p Fk(E)5 b Fp(\))31 b(and)f(pre-edge)g(subtracted)g Fk(\026)p Fp(\()p Fk(E)5 b Fp(\)\))32 b(are)e(quite)g(con)m(v)m(enien)m (t.)42 b(Eac)m(h)31 b(optional)150 2939 y(output)40 b(\014le)g(has)g (its)g(o)m(wn)g(k)m(eyw)m(ord)h(to)g(select)g(whether)f(or)h(not)f(it)g (is)g(written.)70 b(The)40 b(naming)150 3052 y(con)m(v)m(en)m(tions)31 b(for)g(the)f(output)g(\014les)f(will)f(b)s(e)i(discussed)e(in)h(the)i (next)f(section.)291 3165 y(The)i(most)h(useful)e(of)i(the)f(optional)g (outputs)g(is)g Fk(\026)2073 3179 y Fj(0)2112 3165 y Fp(\()p Fk(E)5 b Fp(\),)34 b(whic)m(h)e(will)e(b)s(e)i(written)f(b)m(y) i(default)150 3278 y(\()p Fi(i.e.)p Fp(,)46 b(unless)40 b(y)m(ou)j(put)f Ff(bkgout)k(=)h(false)42 b Fp(in)f Fg(autobk.inp)p Fp(\).)74 b(This)41 b(will)f(giv)m(e)j(the)g Fk(\026)3295 3292 y Fj(0)3334 3278 y Fp(\()p Fk(E)5 b Fp(\))43 b(at)150 3391 y(the)f(same)g(energy)f(p)s(oin)m(ts)g(as)h(the)f(input)f Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))42 b(data.)75 b(Outside)40 b(the)i(energy)f(region)h(used)e(in)150 3504 y(the)32 b(bac)m(kground)f(remo)m(v)-5 b(al)32 b(\()p Fi(e.g.)p Fp(,)g(in)f(the)h(pre-edge)g(region\),)g(this)f(function)f(will)f(tak)m (e)34 b(the)e(same)150 3617 y(v)-5 b(alues)20 b(of)h(the)g(input)e (absorption)h(data.)38 b(The)20 b(bac)m(kground)h(can)g(also)g(b)s(e)f (written)g(to)h Fi(k)10 b Fp(-space)21 b(using)150 3730 y Ff(bkgksp)46 b(=)i(true)p Fp(.)56 b(The)36 b(data)g(itself)f(can)i(b) s(e)e(written)g(in)g Fi(R)t Fp(-space)i(\(that)g(is,)g(after)f(the)g(F) -8 b(ourier)150 3843 y(transform)42 b(with)f(the)i(same)f(windo)m(w)f (and)h Fi(k)10 b Fp(-w)m(eigh)m(ting)42 b(on)h Fk(\037)p Fp(\()p Fk(k)s Fp(\))g(used)e(for)i(the)f(bac)m(kground)150 3956 y(remo)m(v)-5 b(al\))32 b(using)e Ff(datrsp)46 b(=)h(true)p Fp(.)42 b(If)31 b(a)h(standard)e Fk(\037)p Fp(\()p Fk(k)s Fp(\))i(is)f(used)f(in)g(the)h(bac)m(kground)g(remo)m(v)-5 b(al,)150 4068 y(it)23 b(can)g(b)s(e)f(written)g(to)i Fi(k)10 b Fp(-space)23 b(using)f Ff(theksp)46 b(=)h(true)22 b Fp(and)g(to)i Fi(R)t Fp(-space)g(using)d Ff(thersp)46 b(=)i(true)p Fp(.)150 4181 y(This)29 b(will)e(con)m(tain)k(the)g (standard)e(after)i(its)f(amplitude)e(has)i(b)s(een)g(altered)g(in)f (the)i(\014t.)291 4294 y(All)c(outputs)g(in)g Fi(k)10 b Fp(-space)29 b(will)c(b)s(e)j(written)f(b)s(et)m(w)m(een)h Fk(k)2198 4308 y Fj(min)2376 4294 y Fp(and)g Fk(k)2598 4308 y Fj(max)2762 4294 y Fp(.)40 b(Outputs)26 b(in)h Fi(R)t Fp(-space)150 4407 y(will)42 b(b)s(e)i(written)g(b)s(et)m(w)m (een)i(0)f(and)g(10.0)1615 4391 y(\027)1615 4407 y(A.)h(Since)e(the)h (F)-8 b(ourier)45 b(T)-8 b(ransform)44 b(Windo)m(w)g(\(whic)m(h)150 4520 y(smo)s(othes)30 b(the)h(data)g(and)f(reduces)g(\\ringing")f(in)39 b(~)-55 b Fk(\037)p Fp(\()p Fk(R)q Fp(\)\))31 b(used)e(in)g(bac)m (kground)h(remo)m(v)-5 b(al)31 b(is)e(t)m(ypi-)150 4633 y(cally)21 b(m)m(uc)m(h)g(sharp)s(er)e(than)i(for)g(analysis,)h(the)g Fi(R)t Fp(-space)g(outputs)e(from)h Fq(a)n(utobk)f Fp(are)i(not)f(in)m (tended)150 4746 y(for)30 b(general)h(use,)f(but)g(only)f(for)h (diagnostic)g(c)m(hec)m(ks)i(of)e(the)h(bac)m(kground)f(remo)m(v)-5 b(al.)150 4989 y Fh(2.3)112 b(Data)38 b(File)e(F)-9 b(ormats)150 5161 y Fp(As)37 b(in)e(all)h Fq(uwxafs3.0)p Fp([9)o(])h(data)h (analysis)d(programs,)j(there)f(are)g(t)m(w)m(o)h(options)e(for)h(the)g (format)150 5274 y(of)h(the)g(data)h(\014les.)63 b(The)37 b(data)i(ma)m(y)g(b)s(e)e(in)g(either)g(a)i(sp)s(ecially)c(formatted)k (binary)d(\014le)h(kno)m(wn)150 5387 y(as)e(a)h(UWXAFS)g(binary)d (\014le)h(\(also)i(called)e(an)h(RDF)h(\014le\),)g(or)f(in)e(a)j (formatted)g(ASCI)s(I)d(column)150 5500 y(\014le.)52 b(More)35 b(information)d(on)i(these)h(\014le)e(formats,)j(including)31 b(the)j(format)h(sp)s(eci\014cations)e(and)h(a)1852 5749 y(3)p eop %%Page: 4 6 4 5 bop 756 246 a Fp(T)-8 b(able)30 b(1:)41 b(Names)31 b(of)g(Output)e(Files)g(generated)j(b)m(y)e Fq(a)n(utobk)p Fp(.)p 497 375 2756 4 v 497 488 4 113 v 551 454 a(Con)m(ten)m(ts)p 1177 488 V 619 w(\014lename)p 2194 488 V 396 w Fl(\014le)k(t)m(yp)s(e)p 2669 488 V 125 w Fp(k)m(eyw)m(ord)c(in)p 3249 488 V 497 601 V 551 567 a(of)g(File)p 1177 601 V 520 w(\(ascii\))215 b(\(u)m(wxafs\))p 2194 601 V 2669 601 V 598 w Fg(autobk.inp)p 3249 601 V 497 604 2756 4 v 497 717 4 113 v 551 683 a Fp(data)31 b Fk(\037)p Fp(\()p Fk(k)s Fp(\))p 1177 717 V 295 w Fg(testk.chi)p 1710 717 V 101 w(test.chi)p 2194 717 V 221 w Fl(c)m(hi)p 2669 717 V 448 w Fp(-)p 3249 717 V 497 720 2756 4 v 497 833 4 113 v 551 799 a Fk(\026)606 813 y Fj(0)645 799 y Fp(\()p Fk(E)5 b Fp(\))p 1177 833 V 443 w Fg(teste.bkg)p 1710 833 V 101 w(test.bkg)p 2194 833 V 188 w Fl(xm)m(u)p 2669 833 V 285 w Ff(bkgout)p 3249 833 V 497 836 2756 4 v 497 949 4 113 v 551 915 a Fk(\026)606 929 y Fj(0)645 915 y Fp(\()p Fk(k)s Fp(\))p 1177 949 V 465 w Fg(testk.bkg)p 1710 949 V 101 w(test.chi)p 2194 949 V 221 w Fl(c)m(hi)p 2669 949 V 320 w Ff(bkgksp)p 3249 949 V 497 953 2756 4 v 497 1065 4 113 v 551 1032 a Fp(standard)29 b Fk(\037)p Fp(\()p Fk(k)s Fp(\))p 1177 1065 V 123 w Fg(testk.stn)p 1710 1065 V 101 w(test.chi)p 2194 1065 V 221 w Fl(c)m(hi)p 2669 1065 V 320 w Ff(theksp)p 3249 1065 V 497 1069 2756 4 v 497 1182 4 113 v 551 1148 a Fp(standard)40 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))p 1177 1182 V 103 w Fg(testr.stn)p 1710 1182 V 101 w(test.rsp)p 2194 1182 V 215 w Fl(rsp)p 2669 1182 V 314 w Ff(thersp)p 3249 1182 V 497 1185 2756 4 v 497 1298 4 113 v 551 1264 a Fp(data)41 b(~)-55 b Fk(\037)o Fp(\()p Fk(R)q Fp(\))p 1177 1298 V 276 w Fg(testr.dat)p 1710 1298 V 101 w(test.rsp)p 2194 1298 V 215 w Fl(rsp)p 2669 1298 V 314 w Ff(datrsp)p 3249 1298 V 497 1301 2756 4 v 150 1658 a Fp(discussion)26 b(of)k(the)f(relativ)m(e)g(merits)g(of)g(the)g(t)m(w)m(o)i(\014le)d (formats)h(can)h(b)s(e)e(found)g(in)g(the)h Fq(uwxafs3.0)150 1771 y Fp(reference)34 b(do)s(cumen)m(t)f(on)g(data)h(\014les)f([10)q (].)50 b(The)33 b(t)m(w)m(o)h(\014le)f(handling)e(formats)i(can)h(b)s (e)e(mixed,)i(so)150 1884 y(that)d(the)f(input)f(data)i(can)f(b)s(e)g (in)f(the)i(UWXAFS)g(format)f(and)g(the)h(output)e(data)i(can)g(b)s(e)f (in)f(the)150 1997 y(ASCI)s(I)g(format,)i(or)f(vice)g(v)m(ersa.)291 2110 y(If)e(the)h(input)e(data)j(are)f(in)e(UWXAFS)j(format,)g(it)e(m)m (ust)h(b)s(e)f(in)f(a)i(\014le)f(with)g(\014le)g(t)m(yp)s(e)h(`XMU'.) 150 2223 y(Both)f(the)g(\014le)f(name)g(and)h(record)f(k)m(ey)h (\(either)g(nk)m(ey)g(or)f(sk)m(ey\))i(m)m(ust)e(b)s(e)g(sp)s (eci\014ed)f(for)i(the)g(input.)150 2336 y(If)d(the)h(input)e(data)i (are)h(in)d(ASCI)s(I)g(format,)j(it)f(m)m(ust)f(con)m(tain)h Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))27 b(data)f(for)g(exactly)g(one)g (scan)g(in)150 2449 y(column)31 b(format,)i(with)e(the)h(\014rst)g (column)f(con)m(taining)h(energy)g(in)f(eV,)i(and)e(the)i(second)f (column)150 2562 y(con)m(taining)f(the)h(measured)e(absorption)h(co)s (e\016cien)m(t.)44 b(Ra)m(w)32 b(data)g(from)f(a)h(sync)m(hrotron)f(m)m (ust)h(b)s(e)150 2674 y(con)m(v)m(erted)d(b)s(efore)f(giving)e(it)i(to) g Fq(a)n(utobk)p Fp(,)f(and)g(as)h(there)g(is)f(no)h(common)g(format)g (for)g(suc)m(h)f(data,)150 2787 y(y)m(ou'll)k(ha)m(v)m(e)h(to)h(do)e (this)f(y)m(ourself.)44 b(If)31 b(y)m(ou)h(\014nd)e(this)g(requiremen)m (t)h(a)h(hardship,)d(con)m(tact)34 b(us)d(and)150 2900 y(w)m(e)c(ma)m(y)g(b)s(e)e(able)h(to)h(help.)38 b(The)26 b(example)g(\014le)f Fg(cu10k.dat)f Fp(is)h(an)h(example)g(of)g(an)g (ASCI)s(I)f(column)150 3013 y(data)30 b(\014le)f(that)h(con)m(tains)f Fk(\026)p Fp(\()p Fk(E)5 b Fp(\).)42 b(See)29 b(the)h(do)s(cumen)m(t)f (on)g(data)i(\014les)d([10)q(])i(for)f(further)f(formatting)150 3126 y(details.)291 3239 y(Outputs)40 b(\014les)g(will)e(b)s(e)i (written)g(to)i(\014les)d(with)h(names)h(that)g(dep)s(end)e(on)i(the)g (con)m(ten)m(ts)i(of)150 3352 y(the)d(\014le,)h(the)f(output)f(\014le)g (format)h(\(UWXAFS)h(or)e(ASCI)s(I\),)g(and)g(the)h(user-c)m(hosen)g (name.)68 b(If)150 3465 y(the)38 b(output)f(\014le)g(name)h(is)f(sp)s (eci\014ed)f(b)m(y)h Ff(out)47 b(=)h(test)36 b Fp(in)h Fg(autobk.inp)p Fp(,)g(the)h(output)f(\014les)g(will)150 3578 y(b)s(e)c(named)h(according)f(to)i(the)f(T)-8 b(able)33 b(1.)52 b(Note)35 b(that)g(the)f(su\016x)e(dep)s(ends)g(on)i(the)g(t)m (yp)s(e)g(of)g(data)150 3691 y(written.)39 b(F)-8 b(or)29 b(ASCI)s(I)d(data)j(\014les,)e(the)h(last)g(letter)g(of)g(the)g (pre\014x)f(giv)m(es)h(the)g(abscissa)g(of)g(the)g(data.)1852 5749 y(4)p eop %%Page: 5 7 5 6 bop 150 191 a Fm(3)135 b(A)l(UTOBK.INP)150 397 y Fh(3.1)112 b(General)38 b(F)-9 b(ormat)36 b(of)i(A)m(UTOBK.INP)150 569 y Fp(Commands)22 b(to)i Fq(a)n(utobk)e Fp(are)h(read)h(from)e(the)i (\014le)e Fg(autobk.inp)p Fp(.)36 b(These)23 b(input)e(commands)i(name) 150 682 y(the)i(data)g(\014le)f(to)h(use)g(for)f(the)h Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))25 b(data)h(and)e(set)h(all)e(user)h (options)g(and)g(con)m(trols.)39 b Fq(a)n(utobk)23 b Fp(uses)150 795 y(k)m(eyw)m(ords)k(to)h(describ)s(e)d(and)h(assign)h(v) -5 b(alues)26 b(to)h(all)f(program)h(parameters.)40 b(The)26 b(use)h(of)g(k)m(eyw)m(ords)150 908 y(allo)m(ws)32 b(the)i(input)d (\014le)h(to)i(b)s(e)e(read)h(easily)f(and)h(the)g(v)-5 b(alues)32 b(of)h(the)h(program)e(parameters)i(to)g(b)s(e)150 1020 y(mo)s(di\014ed)21 b(easily)-8 b(.)38 b(The)23 b(k)m(eyw)m(ords)h (ha)m(v)m(e)h(fairly)c(transparen)m(t)j(meanings,)g(and)f(are)h (assigned)f(v)-5 b(alues)150 1133 y(with)29 b(k)m(eyw)m(ord)i(\\sen)m (tences")h(with)d(syn)m(tax:)291 1246 y Ff(keyword)46 b Fo(h)p Fp(delimiter)n Fo(i)p Ff(value)p Fp(.)150 1359 y(The)25 b Ff(keyword)e Fp(m)m(ust)j(b)s(e)e(one)i(of)g(the)f(v)-5 b(alid)24 b(k)m(eyw)m(ords)i(listed)e(b)s(elo)m(w.)38 b(The)25 b Fo(h)p Fp(delimiter)n Fo(i)p Fp(is)g(an)g(equal)150 1472 y(sign)30 b(or)g(white)g(space)h(\(a)h(blank)d(or)i(T)-8 b(AB\))32 b(surrounded)c(b)m(y)i(an)m(y)h(n)m(um)m(b)s(er)f(of)h(white) e(spaces.)42 b(The)150 1585 y Ff(value)31 b Fp(is)h(pro)m(vided)g(b)m (y)h(the)g(user)f(and)g(will)f(b)s(e)h(in)m(terpreted)g(as)h(a)g(n)m (um)m(b)s(er,)g(a)g(logical)g(\015ag,)h(or)f(a)150 1698 y(c)m(haracter)d(string,)e(dep)s(ending)d(on)k(the)f(nature)g(of)g(the) h(k)m(eyw)m(ord)f(|)h(the)f(list)f(b)s(elo)m(w)g(will)f(indicate)150 1811 y(what)40 b(kind)d(of)j(v)-5 b(alue)39 b(eac)m(h)i(k)m(eyw)m(ord)f (tak)m(es.)70 b(Logical)40 b(\015ags)g(all)e(ha)m(v)m(e)j(v)-5 b(alues)39 b Ff(true)g Fp(or)g Ff(false)150 1924 y Fp(\()p Ff(t)d Fp(and)e Ff(f)i Fp(will)c(w)m(ork,)38 b(to)s(o\).)57 b(If)35 b(a)h(k)m(eyw)m(ord's)g Ff(value)e Fp(is)g(a)i(n)m(um)m(b)s(er) e(or)i(logical)f(\015ag)h(\(but)f(not)h(a)150 2037 y(c)m(haracter)d (string\),)d(the)h(assigning)f(k)m(eyw)m(ord)h(sen)m(tence)i(can)e(b)s (e)f(put)h(on)g(the)g(same)g(line)e(as)j(other)150 2150 y(n)m(umerical)27 b(and)g(logical)h(k)m(eyw)m(ord)h(sen)m(tences.)41 b(Keyw)m(ords)28 b(that)h(tak)m(e)g(c)m(haracter)h(strings)d(as)i (their)150 2262 y(v)-5 b(alue)37 b(m)m(ust)g(o)s(ccur)h(on)f(their)g(o) m(wn)g(line.)61 b Fq(a)n(utobk)36 b Fp(do)s(es)h(not)h(distinguish)33 b(k)m(eyw)m(ords)38 b(b)m(y)g(case.)150 2375 y(But)27 b(to)g(accommo)s(date)h(man)m(y)e(op)s(erating)g(systems,)h(it)f(do)s (es)g(distinguish)d(the)j(names)h(of)f(external)150 2488 y(\014les)31 b(b)m(y)g(case.)47 b(Keyw)m(ord)31 b(sen)m(tences)i(are)f (allo)m(w)m(ed)g(to)g(o)s(ccur)g(in)f(an)m(y)h(order)f(in)f(the)i (\014le.)45 b(In)m(ternal)150 2601 y(commen)m(ts)31 b(can)g(b)s(e)f (written)f(an)m(ywhere)h(in)f Fg(autobk.inp)p Fp(.)150 2840 y Fh(3.2)112 b(Keyw)m(ords)150 3012 y Fp(The)43 b(follo)m(wing)e(subsections)h(giv)m(e)h(a)h(detailed)e(explanation)g (for)h(eac)m(h)h(k)m(eyw)m(ord)g(in)d Fq(a)n(utobk)p Fp(.)150 3125 y(T)-8 b(able)38 b(2)i(at)f(the)g(end)f(of)h(this)f(c)m (hapter)h(has)g(a)g(list)e(of)i(all)f(the)h(k)m(eyw)m(ords)g(for)g(all) e(the)i(program)150 3238 y(con)m(trols)h(and)f(parameters)h(in)e Fq(a)n(utobk)g Fp(with)h(a)h(brief)e(description)g(of)h(the)h(meaning)f (of)h(their)150 3351 y(v)-5 b(alues.)150 3587 y Fl(3.2.1)105 b(General)35 b(and)g(Miscellaneous)h(Keyw)m(ords)255 3758 y Ff(\045)47 b Fp(or)30 b Ff(!)141 b Fp(Indicates)43 b(a)g(commen)m(t)h(an)m(ywhere)f(in)f Fg(autobk.inp)p Fp(,)i(including)39 b(end-of-line)600 3871 y(commen)m(ts.)255 4050 y Ff(*)47 b Fp(or)30 b Ff(#)93 b Fp(Indicates)26 b(a)h(commen)m(t)h(line)c(in)h Fg(autobk.inp)f Fp(if)i(it)g(is)f(the)i (\014rst)e(c)m(haracter)j(on)f(the)600 4163 y(line.)255 4342 y Ff(----)153 b Fp(T)-8 b(ells)32 b Fq(a)n(utobk)g Fp(to)i(stop)g(reading)f(inputs)e(for)i(this)g(data)h(set,)h(and)e(b)s (egin)f(bac)m(k-)600 4455 y(ground)37 b(remo)m(v)-5 b(al)38 b(on)g(this)f(data)i(set.)64 b Fq(a)n(utobk)36 b Fp(will)g(return)h(to) h(this)f(place)h(in)600 4567 y Fg(autobk.inp)28 b Fp(after)j(the)g(bac) m(kground)f(is)f(found)h(for)g(the)h(curren)m(t)f(data)h(set,)h(and)600 4680 y(will)e(read)i(inputs)e(for)i(another)h(data)g(set.)47 b(In)31 b(this)g(w)m(a)m(y)-8 b(,)35 b(more)d(than)g(one)h(bac)m(k-)600 4793 y(ground)c(remo)m(v)-5 b(al)31 b(can)g(b)s(e)e(done)i(with)e(a)h (single)f Fg(autobk.inp)f Fp(\014le.)150 5029 y Fl(3.2.2)105 b(Data)35 b(Input)f(and)h(Output)f(Keyw)m(ords)150 5201 y Fp(See)d(c)m(hapter)g(2)f(for)h(further)e(details.)255 5387 y Ff(Title)105 b Fp(User-c)m(hosen)25 b(title)e(line)f(whic)m(h)h (will)e(b)s(e)i(written)g(to)h(the)g(output)g(\014les.)37 b(This)22 b(m)m(ust)600 5500 y(b)s(e)30 b(on)g(its)g(o)m(wn)g(line.) 1852 5749 y(5)p eop %%Page: 6 8 6 7 bop 255 191 a Ff(Formin)91 b Fp(File)34 b(format)g(to)h(use)g(for)f (the)g(input)f(data)i(\014les.)51 b(The)34 b(c)m(hoices)h(are)g(UWXAFS) 600 304 y(and)h(ASCI)s(I.)g(See)h(c)m(hapter)g(2)g(and)f(the)h Fq(uwxafs3.0)f Fp(do)s(cumen)m(t)h(on)f(data)i(\014les)600 417 y([10)q(])26 b(for)g(more)g(details.)38 b(The)26 b(default)f(is)g(for)h Fq(a)n(utobk)e Fp(to)j(\014nd)d(the)j(input)d (format)600 530 y(itself,)29 b(from)h(the)h(input)d(data.)42 b(This)28 b(do)s(es)i(not)h(need)f(to)h(b)s(e)f(on)g(its)g(o)m(wn)g (line.)255 717 y Ff(Formout)91 b Fp(File)30 b(format)h(to)h(use)e(for)h (the)g(output)f(data)i(\014les.)41 b(The)30 b(c)m(hoices)h(are)h(the)f (same)600 830 y(as)39 b(for)f Ff(Formin)p Fp(,)i(and)e(the)h(default)f (is)f(to)j(use)e(the)h(format)g(used)f(as)h(the)g(input)600 943 y(format.)i(This)29 b(do)s(es)h(not)g(need)g(to)i(b)s(e)d(on)i(its) e(o)m(wn)i(line.)255 1131 y Ff(Format)91 b Fp(Sets)31 b(b)s(oth)e Ff(Formin)g Fp(and)h Ff(Formout)p Fp(.)285 1318 y Ff(Data)123 b Fp(Name)40 b(of)g(input)e(data)i(\014le)f(con)m (taining)g Fk(\026)p Fp(\()p Fk(E)5 b Fp(\).)69 b(F)-8 b(or)40 b(UWXAFS)h(format)f(\014les,)600 1431 y(this)c(\014le)f(m)m (ust)i(ha)m(v)m(e)h(\014le)e(t)m(yp)s(e)h(`XMU",)h(and)e(either)g(the)h (nk)m(ey)g(or)g(sk)m(ey)g(m)m(ust)600 1544 y(also)30 b(b)s(e)g(giv)m(en,)h(so)f(that)h(the)g(syn)m(tax)g(m)m(ust)f(b)s(e)g (something)g(lik)m(e:)695 1657 y Ff(Data)47 b(=)h(cu.xmu,)d(1)j Fp(or)g Ff(Chi)f(=)g(cu.xmu)f(,)h(TROUT)p Fp(.)600 1807 y(F)-8 b(or)34 b(ASCI)s(I)d(input)h(data)h(format,)i(only)d(the)h (input)f(\014le)g(name)h(is)f(needed.)49 b(This)600 1920 y(should)28 b(b)s(e)i(on)g(its)g(o)m(wn)h(line.)39 b(See)30 b(c)m(hapter)h(2)g(and)f(Ref.)41 b([10)q(])30 b(for)g(more)h(details.) 255 2108 y Ff(Theory)91 b Fp(Name)45 b(of)g(the)f(input)f(data)i (\014le)f(con)m(taining)f Fk(\037)p Fp(\()p Fk(k)s Fp(\))j(for)e(the)g (standard.)82 b(The)600 2221 y(naming)39 b(con)m(v)m(en)m(tions)i(will) c(b)s(e)i(the)i(same)f(as)g(for)g(the)g Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))41 b(data)f(\014le)f(ab)s(o)m(v)m(e.)600 2334 y(If)e(the)h(UWXAFS)h(format)f(is)f(used,)i(this)e(m)m(ust)g(ha)m (v)m(e)i(\014le)e(t)m(yp)s(e)h(\\CHI".)h(This)600 2447 y(should)f(b)s(e)i(on)g(its)g(o)m(wn)g(line.)69 b(See)40 b(c)m(hapter)h(5)g(for)f(more)g(on)g(the)h(use)f(of)g(this)600 2560 y(standard)30 b Fk(\037)p Fp(\()p Fk(k)s Fp(\).)255 2747 y Ff(Fixamp)91 b Fp(Logical)33 b(\015ag)h(to)f(prev)m(en)m(t)h (the)f(amplitude)e(of)j(the)f(standard)f Fk(\037)p Fp(\()p Fk(k)s Fp(\))i(from)e(b)s(eing)600 2860 y(rescaled)d(automatically)g (in)f(the)h(\014t.)40 b(The)29 b(default)f(is)h(false,)g(so)g(that)h (the)f(ampli-)600 2973 y(tude)g(of)g(the)g(standard)g(will)d(b)s(e)j (adjusted)f(so)h(as)h(to)g(matc)m(h)g(the)f(\014rst)f(shell)38 b(~)-55 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))600 3086 y(of)31 b(the)f(data)h(b)s(et)m(w)m(een)g Fk(R)1487 3101 y Fj(bkg)1665 3086 y Fp(and)e Fk(R)1910 3100 y Fj(1st)2035 3086 y Fp(.)261 3274 y Ff(Fixe0)99 b Fp(Logical)37 b(\015ag)f(to)i(prev)m(en)m(t)f Fk(E)1615 3288 y Fj(0)1691 3274 y Fp(from)f(b)s(eing)f(v)-5 b(aried)35 b(in)h(the)g(\014t.)59 b(The)36 b(default)g(is)600 3386 y(false,)30 b(so)h(that)g Fk(E)1206 3400 y Fj(0)1276 3386 y Fp(of)f(the)h(data)g Fk(\037)p Fp(\()p Fk(k)s Fp(\))g(will)d(b)s(e)h(v)-5 b(aried.)309 3574 y Ff(Out)147 b Fp(Pre\014x)33 b(for)g(the)h(output)f(\014le)g(name.)50 b(See)34 b(c)m(hapter)g(2)g(for)g(more)f(details,)h(and)f(an)600 3687 y(explanation)k(of)h(the)g(\014le)f(name)h(su\016xes.)63 b(This)36 b(do)s(es)h(not)h(need)g(to)h(b)s(e)e(on)h(its)600 3800 y(o)m(wn)30 b(line.)255 3988 y Ff(Bkgout)91 b Fp(Logical)24 b(\015ag)h(for)f(writing)f(output)h(data)h(for)f Fk(\026)2230 4002 y Fj(0)2269 3988 y Fp(\()p Fk(E)5 b Fp(\).)40 b(This)22 b(data)j(will)d(b)s(e)i(written)600 4100 y(at)34 b(exactly)f(the)g (same)g(energy)g(p)s(oin)m(ts)f(as)h(the)g(input)e Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))34 b(data.)48 b(The)33 b(default)600 4213 y(is)c(true.)255 4401 y Ff(Bkgksp)91 b Fp(Logical)30 b(\015ag)h(for)f(writing)f(out)h Fk(\026)1789 4415 y Fj(0)1829 4401 y Fp(\()p Fk(k)s Fp(\).)41 b(The)30 b(default)g(is)f (false.)255 4589 y Ff(Theksp)91 b Fp(Logical)30 b(\015ag)h(for)f (writing)f(out)h Fk(\037)p Fp(\()p Fk(k)s Fp(\))h(of)g(the)g(standard.) 39 b(The)30 b(default)g(is)f(false.)255 4776 y Ff(Thersp)91 b Fp(Logical)30 b(\015ag)h(for)f(writing)f(out)41 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))31 b(of)f(the)h(standard.)40 b(The)30 b(default)f(is)h(false.)255 4964 y Ff(Datrsp)91 b Fp(Logical)30 b(\015ag)h(for)f(writing)f(out)41 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))31 b(of)f(the)h(data.)41 b(The)30 b(default)g(is)f(false.)255 5152 y Ff(Allout)91 b Fp(Logical)30 b(\015ag)h(for)f(writing)f(all)g(of)i(the)f(ab)s(o)m(v) m(e)i(outputs.)1852 5749 y(6)p eop %%Page: 7 9 7 8 bop 150 191 a Fl(3.2.3)105 b(Energy)35 b(Origin,)g(Pre-Edge,)h(and) e(Normalization)h(Keyw)m(ords)150 363 y Fp(See)c(c)m(hapter)g(4)f(for)h (further)e(details.)333 575 y Ff(E0)171 b Fp(Edge)29 b(Energy)g(in)e(eV.)j(The)e(default)g(v)-5 b(alue)28 b(for)h(the)g(starting)f Fk(E)2824 589 y Fj(0)2893 575 y Fp(is)g(set)h(near)g(the)600 688 y(p)s(oin)m(t)d(of)i(maxim)m(um)e (deriv)-5 b(ativ)m(e)27 b(on)g(the)h(absorption)e(edge.)40 b(If)27 b(a)h(standard)e Fk(\037)p Fp(\()p Fk(k)s Fp(\))600 801 y(is)j(used,)h(this)g(v)-5 b(alue)29 b(will)f(b)s(e)i(adjusted)f (unless)g(the)i(\015ag)f Ff(fixe0)f Fp(is)h(set)h(to)g Ff(true)p Fp(.)285 989 y Ff(Pre1)123 b Fp(Lo)m(w)27 b(energy)h(limit)d (of)i(pre-edge)h(range,)g(o)m(v)m(er)h(whic)m(h)d(a)h(line)f(is)g (\014t)h(to)h(help)d(deter-)600 1101 y(mine)h(the)i(normalization)e (constan)m(t,)k(as)d(discussed)f(in)g(c)m(hapter)i(4.)40 b(The)27 b(v)-5 b(alue)27 b(is)600 1214 y(relativ)m(e)j(to)i Fk(E)1102 1228 y Fj(0)1141 1214 y Fp(,)f(and)e(the)i(default)f(is)f (-200.0)k(eV.)285 1402 y Ff(Pre1)123 b Fp(High)44 b(energy)i(limit)d (of)i(pre-edge)g(range,)50 b(o)m(v)m(er)c(whic)m(h)e(a)h(line)f(is)g (\014t)h(to)g(help)600 1515 y(determine)38 b(the)h(normalization)e (constan)m(t,)43 b(as)c(discussed)d(in)i(c)m(hapter)h(4.)66 b(The)600 1628 y(v)-5 b(alue)30 b(is)f(relativ)m(e)i(to)g Fk(E)1428 1642 y Fj(0)1467 1628 y Fp(,)g(and)f(the)g(default)g(is)f (-50.0)j(eV.)285 1815 y Ff(Nor1)123 b Fp(Lo)m(w)29 b(energy)h(limit)c (of)j(p)s(ost-edge)h(range,)g(o)m(v)m(er)g(whic)m(h)e(a)h(quadratic)g (p)s(olynomial)600 1928 y(is)i(\014t)h(to)h Fk(\026)979 1942 y Fj(0)1018 1928 y Fp(\()p Fk(E)5 b Fp(\))34 b(to)f(determine)e (the)h(normalization)f(constan)m(t,)j(as)f(discussed)d(in)600 2041 y(c)m(hapter)h(4.)41 b(The)30 b(v)-5 b(alue)30 b(is)f(relativ)m(e) i(to)g Fk(E)2052 2055 y Fj(0)2091 2041 y Fp(,)g(and)f(the)g(default)g (is)f(100.0)k(eV.)285 2229 y Ff(Nor2)123 b Fp(High)26 b(energy)h(limit)d(of)j(p)s(ost-edge)g(range,)h(o)m(v)m(er)g(whic)m(h)d (a)i(quadratic)f(p)s(olynomial)600 2342 y(is)31 b(\014t)h(to)h Fk(\026)979 2356 y Fj(0)1018 2342 y Fp(\()p Fk(E)5 b Fp(\))34 b(to)f(determine)e(the)h(normalization)f(constan)m(t,)j(as)f (discussed)d(in)600 2455 y(c)m(hapter)h(4.)41 b(The)30 b(v)-5 b(alue)30 b(is)f(relativ)m(e)i(to)g Fk(E)2052 2469 y Fj(0)2091 2455 y Fp(,)g(and)f(the)g(default)g(is)f(300.0)k(eV.) 285 2642 y Ff(Edge)123 b Fp(The)35 b(edge)h(step)g(normalization)e (constan)m(t,)39 b(\001)p Fk(\026)2313 2656 y Fj(0)2351 2642 y Fp(\()p Fk(E)2453 2656 y Fj(0)2493 2642 y Fp(\))d(in)e(Eq.)i (\(1\).)57 b(Sp)s(ecifying)600 2755 y(this)43 b(v)-5 b(alue)45 b(will)d(o)m(v)m(erwrite)j(the)g(default)e(normalization)h (constan)m(t)h(found)f(as)600 2868 y(discussed)28 b(in)i(c)m(hapter)h (4.)150 3108 y Fl(3.2.4)105 b(F)-9 b(ourier)36 b(T)-9 b(ransform)34 b(P)m(arameters)g(and)h(Fitting)f(Ranges)150 3280 y Fp(F)-8 b(or)26 b(further)d(information)h(on)g(the)i(meaning)e (and)g(e\013ect)j(of)e(the)g(F)-8 b(ourier)25 b(T)-8 b(ransform)24 b(P)m(arameters,)150 3393 y(see)31 b(the)g Fq(uwxafs3.0)e Fp(reference)i(do)s(cumen)m(t)f(on)g(F)-8 b(ourier)30 b(transforms)g([11)q(].)285 3605 y Ff(Rbkg)123 b Fk(R)669 3620 y Fj(bkg)826 3605 y Fp(,)43 b(the)d(maxim)m(um)g Fi(R)k Fp(o)m(v)m(er)d(whic)m(h)e(the)h(bac)m(kground)h(function)d Fk(\026)3166 3619 y Fj(0)3206 3605 y Fp(\()p Fk(E)5 b Fp(\))41 b(is)600 3718 y(\014t.)68 b(Note)40 b(that)g(this)f(v)-5 b(alue)39 b(is)f Fi(not)49 b Fp(corrected)40 b(for)g(an)m(y)f (phase-shifts,)i(and)e(so)600 3831 y(corresp)s(onds)26 b(to)39 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\),)29 b(not)e(the)h(absolute)f(in)m(teratomic)g(distance.)40 b(The)27 b(default)600 3944 y(in)i(1.0)853 3928 y(\027)853 3944 y(A.)285 4132 y Ff(R1st)123 b Fk(R)669 4146 y Fj(1st)795 4132 y Fp(,)32 b(the)f(maxim)m(um)f Fi(R)36 b Fp(of)31 b(the)h(\014rst)e(shell)g(to)i(use)f(in)f(making)g(the)i(amplitude)600 4245 y(of)f(the)g(standard)f(and)h(data)42 b(~)-55 b Fk(\037)o Fp(\()p Fk(R)q Fp(\))32 b(equal.)42 b(As)31 b(for)g Ff(Rbkg)p Fp(,)f(this)g(is)g(not)h(corrected)600 4358 y(for)f(an)m(y)h(phase)f(shifts.)39 b(The)30 b(default)g(is)f Ff(Rbkg)g Fp(+)h(2.0)i(,)2548 4341 y(\027)2548 4358 y(A.)285 4545 y Ff(Emin)123 b Fp(Lo)m(w-)p Fi(E)48 b Fp(v)-5 b(alue)36 b(\(relativ)m(e)h(to)h Fk(E)1696 4559 y Fj(0)1735 4545 y Fp(\))f(of)g(the)g(region)g(o)m(v)m(er)h(whic)m(h)d(the)i(bac)m (kground)600 4658 y(function)43 b Fk(\026)1025 4672 y Fj(0)1064 4658 y Fp(\()p Fk(E)5 b Fp(\))45 b(is)e(\014tted.)82 b(This)43 b(v)-5 b(alue)43 b(will)f(corresp)s(ond)g(exactly)j(to)g Ff(Kmin)600 4771 y Fp(b)s(elo)m(w,)30 b(and)g(only)f(one)i(needs)f(to)h (b)s(e)f(sp)s(eci\014ed.)39 b(The)29 b(default)h(is)f(0.)42 b(eV.)285 4959 y Ff(Emax)123 b Fp(High-)p Fi(E)45 b Fp(v)-5 b(alue)34 b(\(relativ)m(e)h(to)g Fk(E)1711 4973 y Fj(0)1751 4959 y Fp(\))g(of)f(the)h(region)f(o)m(v)m(er)i(whic)m(h)d(the)i(bac)m (kground)600 5072 y(function)43 b Fk(\026)1025 5086 y Fj(0)1064 5072 y Fp(\()p Fk(E)5 b Fp(\))45 b(is)e(\014tted.)82 b(This)43 b(v)-5 b(alue)43 b(will)f(corresp)s(ond)g(exactly)j(to)g Ff(Kmax)600 5184 y Fp(b)s(elo)m(w,)34 b(and)f(only)g(one)h(needs)f(to)h (b)s(e)f(sp)s(eci\014ed.)49 b(The)33 b(default)g(is)g(the)h(last)f (data)600 5297 y(p)s(oin)m(t.)1852 5749 y(7)p eop %%Page: 8 10 8 9 bop 285 191 a Ff(Kmin)123 b Fp(Lo)m(w-)p Fi(k)42 b Fp(v)-5 b(alue)32 b(of)g(the)g(region)g(o)m(v)m(er)h(whic)m(h)e(the)h (bac)m(kground)g(function)f Fk(\026)3175 205 y Fj(0)3214 191 y Fp(\()p Fk(E)5 b Fp(\))33 b(is)600 304 y(\014tted.)53 b(This)33 b(v)-5 b(alue)34 b(will)d(corresp)s(ond)j(exactly)h(to)g Ff(Emin)e Fp(ab)s(o)m(v)m(e,)k(and)d(only)g(one)600 417 y(needs)c(to)h(b)s(e)f(giv)m(en.)41 b(The)29 b(default)h(is)f(0.)2066 401 y(\027)2066 417 y(A)2134 384 y Fe(\000)p Fj(1)2228 417 y Fp(.)285 604 y Ff(Kmax)123 b Fp(High-)p Fi(k)39 b Fp(v)-5 b(alue)29 b(of)h(the)g(region)g(o)m(v)m(er)h(whic)m(h)e(the)h (bac)m(kground)f(function)g Fk(\026)3177 618 y Fj(0)3216 604 y Fp(\()p Fk(E)5 b Fp(\))31 b(is)600 717 y(\014tted.)53 b(This)33 b(v)-5 b(alue)34 b(will)d(corresp)s(ond)j(exactly)h(to)g Ff(Emax)e Fp(ab)s(o)m(v)m(e,)k(and)d(only)g(one)600 830 y(needs)c(to)h(b)s(e)f(giv)m(en.)41 b(The)29 b(default)h(is)f(the)i Fi(k)40 b Fp(of)30 b(the)h(last)f(p)s(oin)m(t)g(data.)255 1018 y Ff(Kweight)91 b Fi(k)10 b Fp(-w)m(eigh)m(ting)30 b(for)g(the)h(F)-8 b(ourier)29 b(T)-8 b(ransform.)40 b(The)30 b(default)g(is)f(1.)309 1205 y Ff(Dk1)147 b Fp(Lo)m(w-)p Fi(k)55 b Fp(F)-8 b(ourier)44 b(T)-8 b(ransform)44 b(Windo)m(w)g(P)m(arameter)i(\(windo)m(w)e(\\sill"\))f(for)i(the)600 1318 y(F)-8 b(ourier)30 b(T)-8 b(ransform.)40 b(The)30 b(default)f(is)g(0.0.)309 1506 y Ff(Dk2)147 b Fp(High-)p Fi(k)51 b Fp(F)-8 b(ourier)41 b(T)-8 b(ransform)41 b(Windo)m(w)g(P)m (arameter)i(\(windo)m(w)e(\\sill"\))f(for)i(the)600 1619 y(F)-8 b(ourier)30 b(T)-8 b(ransform.)40 b(The)30 b(default)f(is)g (0.0.)333 1807 y Ff(Dk)171 b Fp(Sets)30 b(b)s(oth)g Ff(Dk1)g Fp(and)f Ff(Dk2)h Fp(to)h(the)f(same)h(v)-5 b(alue.)40 b(The)30 b(default)g(is)f(0.0.)255 1994 y Ff(Iwindo)91 b Fp(In)m(teger)30 b(index)d(to)j(sp)s(ecify)e(whic)m(h)f(of)i(the)g(p) s(ossible)e(Windo)m(w)h(T)m(yp)s(es)g(to)i(use)e(for)600 2107 y(the)34 b(F)-8 b(ourier)33 b(T)-8 b(ransform.)50 b(The)33 b(default)g(is)g(0,)i(indicating)d(Hanning)h(Windo)m(ws.)600 2220 y(See)k(Ref.)h([11)q(])f(for)g(details)g(of)g(XAFS)g(F)-8 b(ourier)37 b(transforms,)h(and)f(a)h(list)d(of)j(the)600 2333 y(p)s(ossible)28 b(Windo)m(w)i(T)m(yp)s(es.)1852 5749 y(8)p eop %%Page: 9 11 9 10 bop 150 302 a Fp(T)-8 b(able)26 b(2:)39 b(Keyw)m(ords)27 b(for)f Fq(a)n(utobk)p Fp(,)g(the)h(format)g(of)g(their)e(argumen)m(ts) i(\(c)g(for)g(c)m(haracter)h(string,)e(n)150 415 y(for)i(n)m(um)m(b)s (er,)f(l)g(for)h(logical)f(\015ag\),)j(a)e(brief)e(explanation)h(of)h (their)f(meaning.)39 b(Where)29 b(appropriate,)150 528 y(v)-5 b(alid)26 b(v)-5 b(alues)28 b(are)g(giv)m(en)g(in)e(\(paren)m (theses\))j(and)f(default)f(v)-5 b(alues)27 b(are)h(giv)m(en)g(in)f ([square)h(brac)m(k)m(ets].)363 686 y Fl(General/Miscellaneous:)213 799 y Ff(\045)p Fp(/)p Ff(!)303 b Fp(-)110 b(End-of-Line)29 b(Commen)m(t:)41 b(ignore)30 b(ev)m(erything)g(after)h Ff(\045)f Fp(or)g Ff(!)p Fp(.)213 912 y Ff(#)396 b Fp(-)110 b(Commen)m(t)30 b(Line:)40 b(ignore)30 b(line)f(if)g Ff(#)h Fp(is)f(in)h(1st)g(column.)213 1025 y Ff(----)252 b Fp(-)110 b(End)29 b(of)h(Data)i(set:)42 b(stop)30 b(reading)g(inputs) e(for)i(this)f(data)i(set.)363 1250 y Fl(Data)j(Input)h(and)f(Output:) 213 1363 y Ff(Title)199 b Fp(c)105 b(User)30 b(c)m(hosen)h(title)f (line)1667 b([none])213 1476 y Ff(Formin)151 b Fp(c)105 b(File)29 b(F)-8 b(ormat)32 b(of)e(input)f(data)i(\014le)1168 b(\(u)m(w/ascii\))213 1589 y Ff(Formout)103 b Fp(c)i(File)29 b(F)-8 b(ormat)32 b(of)e(output)g(data)i(\014les)1076 b(\(u)m(w/ascii\))213 1702 y Ff(Format)151 b Fp(c)105 b(File)29 b(F)-8 b(ormat)32 b(of)e(input)f(and)h(output)g(data)h (\014les)657 b(\(u)m(w/ascii\))213 1815 y Ff(Data)247 b Fp(c)105 b(Name)31 b(of)f(input)f(data)i(\014le)e(con)m(taining)h Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))905 b([none])213 1928 y Ff(Theory)151 b Fp(c)105 b(Name)31 b(of)f(input)f(data)i(\014le)e (with)g Fk(\037)p Fp(\()p Fk(k)s Fp(\))i(for)g(standard)639 b([none])213 2041 y Ff(Out)295 b Fp(c)105 b(Name)31 b(of)f(output)g (data)h(\014le)1153 b([same)31 b(as)g(input])213 2154 y Ff(Fixamp)158 b Fp(l)112 b(Flag)30 b(for)h(\014xing)e(the)h (amplitude)e(of)j(the)g(standard)e Fk(\037)p Fp(\()p Fk(k)s Fp(\))362 b(\(T/F\))31 b([F])213 2267 y Ff(Fixe0)206 b Fp(l)112 b(Flag)30 b(for)h(not)f(\014tting)g(the)h(v)-5 b(alue)29 b(of)i Fk(E)2138 2281 y Fj(0)3156 2267 y Fp(\(T/F\))g([F])213 2380 y Ff(Bkgout)158 b Fp(l)112 b(Flag)30 b(for)h(writing)d Fk(\026)1510 2394 y Fj(0)1549 2380 y Fp(\()p Fk(E)5 b Fp(\))32 b(to)f(output)f(\014le)901 b(\(T/F\))31 b([T])213 2492 y Ff(Bkgksp)158 b Fp(l)112 b(Flag)30 b(for)h(writing)d Fk(\026)1510 2506 y Fj(0)1549 2492 y Fp(\()p Fk(k)s Fp(\))j(to)h (output)e(\014le)929 b(\(T/F\))31 b([F])213 2605 y Ff(Theksp)158 b Fp(l)112 b(Flag)30 b(for)h(writing)d Fk(\037)p Fp(\()p Fk(k)s Fp(\))j(of)g(standard)e(to)i(output)f(\014le)514 b(\(T/F\)[F])213 2718 y Ff(Thersp)158 b Fp(l)112 b(Flag)30 b(for)h(writing)39 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))31 b(of)f(standard)g(to)h(output)f(\014le)494 b(\(T/F\)[F])213 2831 y Ff(Datrsp)158 b Fp(l)112 b(Flag)30 b(for)h(writing)39 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))31 b(of)f(data)h(to)g(output)f (\014le)667 b(\(T/F\)[F])213 2944 y Ff(Allout)158 b Fp(l)112 b(Flag)30 b(for)h(writing)d(all)h(of)i(the)f(ab)s(o)m(v)m(e)i(outputs) 753 b(\(T/F\))31 b([F])363 3170 y Fl(Pre-Edge,)k Fk(E)918 3184 y Fj(0)957 3170 y Fl(,)g(and)g(Normalization:)213 3283 y Ff(E0)338 b Fp(n)99 b(Edge)30 b(energy)h(in)e(eV.)1707 b([found])213 3396 y Ff(Pre1)242 b Fp(n)99 b(Lo)m(w)30 b(energy)h(of)g(pre-edge)f(range,)h(relativ)m(e)g(to)g Fk(E)2525 3410 y Fj(0)3320 3396 y Fp([-200])213 3509 y Ff(Pre2)242 b Fp(n)99 b(High)29 b(energy)i(of)g(pre-edge)f(range,)h (relativ)m(e)g(to)g Fk(E)2549 3523 y Fj(0)3365 3509 y Fp([-50])213 3622 y Ff(Nor1)242 b Fp(n)99 b(Lo)m(w)30 b(energy)h(of)g(normalization)e(range,)i(relativ)m(e)f(to)h Fk(E)2737 3636 y Fj(0)3280 3622 y Fp([+100])213 3734 y Ff(Nor2)242 b Fp(n)99 b(High)29 b(energy)i(of)g(normalization)e (range,)i(relativ)m(e)f(to)h Fk(E)2761 3748 y Fj(0)3280 3734 y Fp([+300])213 3847 y Ff(Step)242 b Fp(n)99 b(Edge)30 b(step)2075 b([found])363 4073 y Fl(Fitting)34 b(Ranges)i(and)f(F)-9 b(ourier)35 b(T)-9 b(ransform)34 b(Windo)m(ws:)213 4186 y Ff(Rbkg)242 b Fp(n)99 b Fk(R)866 4201 y Fj(bkg)1013 4186 y Fp(,)30 b(maxim)m(um)g Fi(R)k Fp(v)-5 b(alue)30 b(to)h(\014t)f(the)g(bac)m(kground)700 b([1.0])213 4299 y Ff(R1st)242 b Fp(n)99 b Fk(R)866 4313 y Fj(1st)1021 4299 y Fp(for)30 b(\014t)g(of)h(standard)e(to)j(the)e(\014rst)g(shell) 715 b([)p Ff(Rbkg)p Fp(+2.0])213 4412 y Ff(Emin)242 b Fp(n)99 b(Starting)29 b Fi(E)41 b Fp(for)30 b(the)h(bac)m(kground)f (spline)1102 b([0.0])213 4525 y Ff(Emax)242 b Fp(n)99 b(Ending)28 b Fi(E)41 b Fp(for)30 b(the)h(bac)m(kground)f(spline)670 b([last)31 b(data)g(p)s(oin)m(t])213 4638 y Ff(Kmin)242 b Fp(n)99 b(Starting)29 b Fi(k)40 b Fp(for)30 b(the)h(bac)m(kground)f (spline)1123 b([0.0])213 4751 y Ff(Kmax)242 b Fp(n)99 b(Ending)28 b Fi(k)40 b Fp(for)30 b(the)h(bac)m(kground)f(spline)691 b([last)31 b(data)g(p)s(oin)m(t])213 4864 y Ff(Kweight)98 b Fp(n)h Fi(k)10 b Fp(-w)m(eigh)m(t)30 b(for)h(F)-8 b(ourier)29 b(T)-8 b(ransform)1340 b([1.0])213 4976 y Ff(Dk1)290 b Fp(n)99 b(Lo)m(w-)p Fi(k)40 b Fp(F)-8 b(ourier)30 b(T)-8 b(ransform)30 b(Windo)m(w)f(\\Sill")964 b([0.0])213 5089 y Ff(Dk2)290 b Fp(n)99 b(High-)p Fi(k)39 b Fp(F)-8 b(ourier)30 b(T)-8 b(ransform)30 b(Windo)m(w)f(\\Sill")940 b([0.0])213 5202 y Ff(Dk)338 b Fp(n)99 b(Both)31 b Ff(Dk1)e Fp(and)h Ff(Dk2)1854 b Fp([0.0])213 5315 y Ff(Iwindo)146 b Fp(n)99 b(Index)29 b(of)i(F)-8 b(ourier)30 b(T)-8 b(ransform)29 b(Windo)m(w)h(F)-8 b(unction)824 b([0])1852 5749 y(9)p eop %%Page: 10 12 10 11 bop 150 191 a Fm(4)135 b(Energy)45 b(Origin,)h(Pre-Edge,)g(and)e (Normalization)150 394 y Fp(In)34 b(addition)f(to)j(\014tting)e(the)h (bac)m(kground)g(function)e Fk(\026)2095 408 y Fj(0)2135 394 y Fp(\()p Fk(E)5 b Fp(\),)37 b(the)e(data)g(m)m(ust)g(b)s(e)f(prop) s(erly)f(nor-)150 507 y(malized)c(in)h(order)g(to)h(construct)g(the)g Fk(\037)p Fp(\()p Fk(E)5 b Fp(\))31 b(of)g(Eq.)f(\(1\).)42 b(Both)32 b(the)e(normalization)f(pro)s(cess)i(and)150 620 y(the)e(con)m(v)m(ersion)f(from)g Fk(\037)p Fp(\()p Fk(E)5 b Fp(\))30 b(to)f Fk(\037)p Fp(\()p Fk(k)s Fp(\))g(require)e(a)i (reasonable)f(estimate)i(of)e(the)h(threshold)e(energy)150 733 y Fk(E)217 747 y Fj(0)257 733 y Fp(.)43 b(Though)30 b(b)s(oth)g Fk(E)946 747 y Fj(0)1017 733 y Fp(and)h(the)g (normalization)f(constan)m(t)i(\001)p Fk(\026)2427 747 y Fj(0)2466 733 y Fp(\()p Fk(E)2568 747 y Fj(0)2608 733 y Fp(\))g(can)f(b)s(e)g(explicitly)d(set)k(b)m(y)150 846 y(the)g(user,)f Fq(a)n(utobk)f Fp(can)i(mak)m(e)g(adequate)h (estimates)f(of)g(these)g(n)m(um)m(b)s(ers,)e(as)i(will)d(b)s(e)i (describ)s(ed)150 958 y(here.)291 1071 y(The)g(v)-5 b(alue)30 b(for)h Fk(E)921 1085 y Fj(0)992 1071 y Fp(found)e(b)m(y)i Fq(a)n(utobk)f Fp(will)e(rarely)i(b)s(e)h(extremely)g(p)s(o)s(or,)f (but)h(it)f(can)i(easily)150 1184 y(b)s(e)38 b(o\013)h(b)m(y)f(a)h(few) g(v)m(olts)g(from)f(where)g(y)m(ou)h(migh)m(t)f(pic)m(k)g(it.)65 b(By)39 b(default)f(the)h(v)-5 b(alue)38 b(of)h Fk(E)3381 1198 y Fj(0)3459 1184 y Fp(will)150 1297 y(b)s(e)c(c)m(hosen)i(as)f(an) g(energy)g(p)s(oin)m(t)f(in)g(the)h(edge,)i(near)e(where)f Fk(d\026=dE)5 b Fp(,)39 b(the)d(deriv)-5 b(ativ)m(e)36 b(of)g Fk(\026)p Fp(\()p Fk(E)5 b Fp(\),)150 1410 y(has)40 b(a)g(maxim)m(um.)69 b(Numerical)39 b(deriv)-5 b(ativ)m(es)39 b(are)i(not)f(v)m(ery)h(trust)m(w)m(orth)m(y)f(and)g(the)g(maxim)m(um) 150 1523 y(migh)m(t)f(\014nd)f(a)h(glitc)m(h)g(in)f(the)h(data,)k(so)c Fk(E)1664 1537 y Fj(0)1743 1523 y Fp(is)f(c)m(hosen)i(more)f(safely)g (than)g(simply)e(\014nding)g(the)150 1636 y(v)-5 b(alue)36 b(of)g Fi(E)46 b Fp(with)35 b(the)h(maxim)m(um)f Fk(d\026=dE)5 b Fp(.)59 b(The)36 b(initial)d(v)-5 b(alue)36 b(of)g Fk(E)2641 1650 y Fj(0)2716 1636 y Fp(\(either)g(en)m(tered)h(b)m(y)f (the)150 1749 y(user)30 b(or)g(found)f(b)m(y)h Fq(a)n(utobk)p Fp(\))g(will)d(b)s(e)j(v)-5 b(aried)30 b(if)f(a)i(standard)e Fk(\037)p Fp(\()p Fk(k)s Fp(\))i(is)f(used)f(for)i(the)f(bac)m(kground) 150 1862 y(remo)m(v)-5 b(al,)36 b(unless)d(the)h(logical)g(\015ag)h Ff(fixe0)e Fp(is)h(explicitly)e(set)j(to)g Ff(true)p Fp(.)52 b(The)33 b(\014tting)h(of)h Fk(E)3354 1876 y Fj(0)3428 1862 y Fp(isn't)150 1975 y(v)m(ery)c(sensitiv)m(e,)e(b)s (ecause)h(the)h(job)f(of)g Fq(a)n(utobk)f Fp(is)g(to)i(get)g Fk(\026)2259 1989 y Fj(0)2298 1975 y Fp(\()p Fk(E)5 b Fp(\),)32 b(whic)m(h)c(do)s(esn't)i(dep)s(end)f(m)m(uc)m(h)150 2088 y(on)38 b(the)h Fk(E)516 2102 y Fj(0)555 2088 y Fp(.)65 b(It)38 b(is)f(rare)h(for)h Fk(E)1260 2102 y Fj(0)1337 2088 y Fp(to)g(b)s(e)f(adjusted)f(more)i(than)f(a)h(few)f(v)m (olts.)64 b(The)38 b(\014tted)g(v)-5 b(alue)150 2200 y(of)33 b Fk(E)323 2214 y Fj(0)396 2200 y Fp(probably)e(shouldn't)h(b)s (e)g(trusted)h(v)m(ery)h(m)m(uc)m(h)f(an)m(yw)m(a)m(y)-8 b(,)36 b(and)d(should)e(probably)g(b)s(e)i(more)150 2313 y(carefully)c(determined)g(in)g(the)i(analysis)d(of)j Fk(\037)p Fp(\()p Fk(k)s Fp(\).)291 2426 y(The)i(normalization)f(in)g Fq(a)n(utobk)g Fp(is)h(done)g(b)m(y)g(a)h(single)e(constan)m(t)j(n)m (um)m(b)s(er,)e(\001)p Fk(\026)3174 2440 y Fj(0)3213 2426 y Fp(\()p Fk(E)3315 2440 y Fj(0)3355 2426 y Fp(\).)50 b(Be-)150 2539 y(cause)21 b(energy-dep)s(endences)f(of)g(x-ra)m(y)i (detectors)f(are)g(usually)d(comparable)i(in)f(size)i(to)g(the)f (energy-)150 2652 y(dep)s(endence)35 b(of)h Fk(\026)807 2666 y Fj(0)846 2652 y Fp(\()p Fk(E)5 b Fp(\))37 b(there)g(is)e(little) f(p)s(oin)m(t)h(in)g(normalizing)f(b)m(y)i(a)g(energy-dep)s(enden)m(t)g (bac)m(k-)150 2765 y(ground.)45 b(In)31 b(an)m(y)h(ev)m(en)m(t,)i(the)f (primary)d(energy-dep)s(endences)h(of)h(the)h(detectors)g(and)e Fk(\026)3264 2779 y Fj(0)3304 2765 y Fp(\()p Fk(E)5 b Fp(\))33 b(are)150 2878 y(not)i(di\016cult)e(to)i(estimate)g(\(as)h (with)d(the)i Fq(uwxafs3.0)f Fp(program)g Fq(a)-6 b(toms)p Fp(\),)35 b(so)g(that)g(these)g(cor-)150 2991 y(rections)e(can)g(b)s(e) g(later)g(put)g(in)m(to)g(the)g(analysis.)48 b(See)34 b(the)f(example)g(of)g(pure)f(Cu)h(in)f(the)h Fq(feffit)150 3104 y Fp(do)s(cumen)m(t)d(for)g(ho)m(w)h(this)e(can)i(b)s(e)e(done.) 291 3217 y(The)f(constan)m(t)j(v)-5 b(alue)28 b(of)h(\001)p Fk(\026)1308 3231 y Fj(0)1347 3217 y Fp(\()p Fk(E)1449 3231 y Fj(0)1489 3217 y Fp(\))g(can)g(b)s(e)f(set)i(in)d Fq(a)n(utobk)g Fp(using)h(the)h(k)m(eyw)m(ord)g Ff(step)p Fp(.)39 b(If)28 b(it)150 3330 y(is)g(not)g(giv)m(en,)i(this)d(constan)m (t)j(will)c(b)s(e)i(found)f(b)m(y)h(taking)h(the)g(di\013erence)f(in)f (the)i(extrap)s(olation)f(of)150 3442 y(smo)s(oth)g(functional)f (\014ts)h(to)i(the)e(pre-edge)h(total)g(absorption)f Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))29 b(and)f(p)s(ost-edge)h(bac)m (kground)150 3555 y(absorption)g Fk(\026)655 3569 y Fj(0)694 3555 y Fp(\()p Fk(E)5 b Fp(\))32 b(\(after)f(it)f(is)f(found,)h(of)g (course\))h(at)g(the)g(threshold)e(energy)-8 b(,)31 b Fk(E)3041 3569 y Fj(0)3080 3555 y Fp(,)g(so)g(that)1282 3760 y(\001)p Fk(\026)1413 3774 y Fj(0)1452 3760 y Fp(\()p Fk(E)1554 3774 y Fj(0)1593 3760 y Fp(\))26 b(=)f Fk(\026)1805 3721 y Fj(+)1805 3784 y(0)1864 3760 y Fp(\()p Fk(E)1966 3774 y Fj(0)2006 3760 y Fp(\))20 b Fo(\000)g Fk(\026)2207 3722 y Fe(\000)2266 3760 y Fp(\()p Fk(E)2368 3774 y Fj(0)2408 3760 y Fp(\))p Fk(:)1016 b Fp(\(2\))291 3964 y(The)34 b(measured)f(absorption)g(b)s(elo)m(w)g(the)h(edge)h(step)f(\(the)g (so-called)g(pre-edge)g(region\))g(is)f(\014t)150 4077 y(to)i(a)f(straigh)m(t)g(line)f(o)m(v)m(er)i(the)f(energy)h(region)e(b) s(et)m(w)m(een)i([)p Fk(E)2236 4091 y Fj(0)2298 4077 y Fp(+)23 b Fk(E)2459 4091 y Fj(pre1)2596 4077 y Fk(;)15 b(E)2703 4091 y Fj(0)2766 4077 y Fp(+)22 b Fk(E)2926 4091 y Fj(pre2)3064 4077 y Fp(].)52 b(Both)34 b Fk(E)3462 4091 y Fj(pre1)150 4190 y Fp(and)27 b Fk(E)391 4204 y Fj(pre2)556 4190 y Fp(can)g(b)s(e)g(set)h(b)m(y)f(the)h(user)e(with)g (k)m(eyw)m(ords)i Ff(pre1)e Fp(and)h Ff(pre2)p Fp(,)g(and)g(ha)m(v)m(e) h(default)f(v)-5 b(alues)150 4303 y(of)29 b(-200,)j(and)c(-50)j(eV,)f (resp)s(ectiv)m(ely)-8 b(.)40 b(These)29 b(t)m(w)m(o)h(n)m(um)m(b)s (ers)e(are)i(relativ)m(e)f(to)h Fk(E)2934 4317 y Fj(0)2973 4303 y Fp(,)g(so)g(they)f(should)150 4415 y(b)s(e)i(negativ)m(e)j(n)m (um)m(b)s(ers)c(that)j(are)f(in)f(the)h(measured)f(pre-edge)i(region)e (of)h(the)h(data.)46 b(This)30 b(\014tted)150 4528 y(line)d(is)g(then)h (extrap)s(olated)g(to)h Fk(E)1318 4542 y Fj(0)1358 4528 y Fp(,)f(giving)g Fk(\026)1735 4495 y Fe(\000)1793 4528 y Fp(\()p Fk(E)1895 4542 y Fj(0)1935 4528 y Fp(\).)41 b(The)27 b(v)-5 b(alues)28 b(of)g(the)h(slop)s(e)e(and)g(in)m(tercept)i (of)150 4641 y(this)g(pre-edge)i(line)e(will)f(b)s(e)h(written)h(to)h Fg(autobk.log)p Fp(.)291 4754 y(The)23 b(bac)m(kground)f(function)g Fk(\026)1357 4768 y Fj(0)1396 4754 y Fp(\()p Fk(E)5 b Fp(\))24 b(\(found)e(as)h(discussed)f(in)f(c)m(hapter)j(5\))g(is)e (\014t)g(to)i(a)f(quadratic)150 4867 y(p)s(olynomial)32 b(in)h Fi(E)45 b Fp(o)m(v)m(er)36 b(the)f(energy)g(region)f(b)s(et)m(w) m(een)h([)p Fk(E)2220 4881 y Fj(0)2283 4867 y Fp(+)23 b Fk(E)2444 4881 y Fj(nor1)2585 4867 y Fk(;)15 b(E)2692 4881 y Fj(0)2755 4867 y Fp(+)23 b Fk(E)2916 4881 y Fj(nor2)3058 4867 y Fp(].)53 b(Both)35 b Fk(E)3458 4881 y Fj(nor1)150 4980 y Fp(and)26 b Fk(E)390 4994 y Fj(nor2)559 4980 y Fp(can)h(b)s(e)g(set)g(b)m(y)g(the)h(user)e(with)g(k)m(eyw)m(ords)h Ff(nor1)f Fp(and)h Ff(nor2)p Fp(,)g(and)f(ha)m(v)m(e)i(default)f(v)-5 b(alues)150 5093 y(of)31 b(100,)i(and)e(300)h(eV,)g(resp)s(ectiv)m(ely) -8 b(.)43 b(These)31 b(t)m(w)m(o)i(n)m(um)m(b)s(ers)d(are)h(relativ)m (e)h(to)g Fk(E)2944 5107 y Fj(0)2983 5093 y Fp(,)g(and)e(should)g(b)s (e)150 5206 y(p)s(ositiv)m(e)d(n)m(um)m(b)s(ers)g(that)i(are)g(in)e (the)i(measured)f(region)g(of)h(the)f(data.)41 b(This)27 b(\014tted)h(p)s(olynomial)e(is)150 5319 y(then)k(extrap)s(olated)h(to) g Fk(E)1066 5333 y Fj(0)1105 5319 y Fp(,)g(giving)e Fk(\026)1486 5281 y Fj(+)1486 5344 y(0)1545 5319 y Fp(\()p Fk(E)1647 5333 y Fj(0)1687 5319 y Fp(\).)1830 5749 y(10)p eop %%Page: 11 13 11 12 bop 150 191 a Fm(5)135 b(P)l(ost-Edge)46 b(Bac)l(kground)e(F)-11 b(unction)150 394 y Fp(The)35 b Fk(\026)397 408 y Fj(0)436 394 y Fp(\()p Fk(E)5 b Fp(\))36 b(term)f(in)f(Eq.)h(\(1\))h(represen)m (ts)f(the)g(absorption)f(due)g(to)i(the)f(deep)g(core)h(lev)m(el)f(of)g (an)150 507 y(isolated)40 b(absorbing)e(atom)k(in)d(the)h(solid.)69 b(This)38 b(so-called)i(em)m(b)s(edded)f(atom)i(absorption)f(will)150 620 y(di\013er)33 b(from)h(the)h(absorption)e(for)i(a)g(truly)e (isolated)h(atom)h(b)s(ecause)g(of)f(the)h(o)m(v)m(erlap)g(of)g (electron)150 733 y(orbitals)29 b(of)h(neigh)m(b)s(oring)f(atoms.)41 b(It)31 b(should)d(still)g(b)s(e)i(a)h(smo)s(othly)e(v)-5 b(arying)29 b(function)g(of)i(energy)-8 b(,)150 846 y(so)27 b(that)g(it)f(can)h(b)s(e)f(w)m(ell-separated)g(from)g(the)h (oscillatory)f(part)g(of)h(the)g(total)g(absorption,)g(but)f(its)150 958 y(actual)f(form)g(is)e(p)s(o)s(orly)g(kno)m(wn.)39 b(Curren)m(t)24 b(state-of-the-art)k(calculations)c(of)h Fk(\026)2917 972 y Fj(0)2956 958 y Fp(\()p Fk(E)5 b Fp(\))26 b(can)f(get)h(only)150 1071 y(qualitativ)m(e)k(agreemen)m(t)i(with)d (exp)s(erimen)m(ts,)h(and)g(their)f(use)h(in)f(analysis)g(is)g(not)i(y) m(et)h(reliable.)291 1184 y(The)41 b(reluctan)m(tly)g(accepted)i (practice)e(in)g(XAFS)g(analysis)f(is)h(to)h(use)f(as)h(the)f(bac)m (kground)150 1297 y(function)21 b Fk(\026)553 1311 y Fj(0)592 1297 y Fp(\()p Fk(E)5 b Fp(\))23 b(\\some)g(reasonably)e(smo)s (oth)h(function)e(whic)m(h,)j(in)e(some)h(manner,)h(appro)m(ximates)150 1410 y(the)44 b(original)e Fk(\026)p Fp(\()p Fk(E)5 b Fp(\)".)83 b(All)42 b(bac)m(kground)i(remo)m(v)-5 b(al)44 b(tec)m(hniques)f(use)h(this)f(approac)m(h,)k(and)d(the)150 1523 y(di\013erences)36 b(b)s(et)m(w)m(een)i(di\013eren)m(t)e(tec)m (hniques)h(lies)e(in)h(ho)m(w)h(this)f(rather)h(qualitativ)m(e)f (criterion)g(is)150 1636 y(in)m(terpreted.)h(In)21 b(this)f(c)m(hapter) i(I'll)d(explain)h(ho)m(w)h Fq(a)n(utobk)f Fp(in)m(terprets)g(the)i (bac)m(kground)f(criterion.)291 1749 y(The)33 b(main)g(principle)d(of)k Fq(a)n(utobk)e Fp(is)h(to)i(apply)d(information)g(theory)i(to)g(the)g (separation)g(of)150 1862 y(the)29 b(bac)m(kground)h(and)e(XAFS.)i (This)d(allo)m(ws)i(the)h(qualitativ)m(e)f(bac)m(kground)g(criteria)f (to)i(b)s(e)f(made)150 1975 y(quan)m(titativ)m(e)c(and)f(co)s (di\014ed.)37 b(The)24 b(b)s(earing)g(of)g(information)f(theory)i(on)f (XAFS)h(will)d(b)s(e)i(discussed)150 2088 y(in)29 b(section)i(5.2)150 2330 y Fh(5.1)112 b(Ov)m(erview)150 2502 y Fq(a)n(utobk)35 b Fp(uses)h(a)h(piecewise)f(p)s(olynomial,)f(or)i(spline,)f(to)h(appro) m(ximate)g Fk(\026)2815 2516 y Fj(0)2854 2502 y Fp(\()p Fk(E)5 b Fp(\).)61 b(The)36 b(spline)e(is)150 2615 y(c)m(hosen)k(to)g (optimize)f(the)h Fi(R)t Fp(-comp)s(onen)m(ts)g(of)48 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\),)40 b(the)e(F)-8 b(ourier)37 b(T)-8 b(ransform)37 b(of)g Fk(\037)p Fp(\()p Fk(k)s Fp(\),)k(b)s(elo)m(w)150 2728 y Fk(R)219 2743 y Fj(bkg)371 2728 y Fp(.)56 b(The)35 b(sti\013ness)g(of)h(the)f(spline) e([12)r(])i(is)g(con)m(trolled)g(b)m(y)g(the)h(n)m(um)m(b)s(er)e(of)i (knots,)h(p)s(oin)m(ts)d(at)150 2841 y(whic)m(h)e(the)i(di\013eren)m(t) e(p)s(olynomial)f(pieces)i(meet,)i(and)e(where)g(there)g(can)h(b)s(e)f (a)g(discon)m(tin)m(uit)m(y)f(in)150 2954 y(some)e(high)e(order)h (deriv)-5 b(ativ)m(e.)40 b(The)29 b(n)m(um)m(b)s(er)g(of)g(knots)h(in)e (the)i(bac)m(kground)f(spline)e(is)i(c)m(hosen)h(to)150 3067 y(b)s(e)36 b(the)h(n)m(um)m(b)s(er)e(of)i(indep)s(enden)m(t)e(p)s (oin)m(ts)g(in)h(the)h(lo)m(w-)p Fi(R)j Fp(range)d(of)48 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\),)39 b(b)s(et)m(w)m(een)e Fi(R)k Fp(=)36 b([0.0,)150 3180 y Fk(R)219 3195 y Fj(bkg)366 3180 y Fp(].)41 b(This)28 b(is)i(simply)e(giv)m(en)i(b)m(y)g(the)g(n)m (um)m(b)s(er)f(of)i(indep)s(enden)m(t)d(p)s(oin)m(ts)h(in)g(this)g (region,)h(whic)m(h)150 3292 y(is)1440 3426 y Fk(N)1513 3441 y Fj(bkg)1655 3426 y Fp(=)25 b(1)c(+)1918 3364 y(2\001)p Fk(k)s(R)2158 3379 y Fj(bkg)p 1918 3405 358 4 v 2069 3488 a Fk(\031)2285 3426 y(:)1174 b Fp(\(3\))150 3617 y(where)26 b Fk(R)478 3632 y Fj(bkg)647 3617 y Fp(is)f(an)h(estimate)h (of)g(the)f(lo)m(w-)p Fi(R)k Fp(edge)d(of)f(the)h(\014rst)e(p)s(eak)h (in)f(the)i(resulting)35 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\),)28 b(and)150 3730 y(\001)p Fk(k)37 b Fp(is)c(the)h Fi(k)10 b Fp(-range)34 b(of)h(the)f(data.)52 b Fk(N)1492 3745 y Fj(bkg)1677 3730 y Fp(is)33 b(the)h(n)m(um)m(b)s(er)f(of)h (degrees)g(of)h(freedom)e(in)g(the)h(data)150 3843 y(b)s(elo)m(w)e Fk(R)479 3858 y Fj(bkg)628 3843 y Fp(.)47 b(Based)33 b(on)f(ideas)g(of)g(information)f(theory)-8 b(,)34 b(the)f(knots)f(of)h (the)f(spline)e(are)j(equally)150 3956 y(spaced)c(in)e Fi(k)10 b Fp(,)29 b(whic)m(h)e(will)f(minimize)g(the)j(sp)s(ectral)e (leak)-5 b(age)30 b(of)f(the)g(bac)m(kground)f(in)m(to)h(the)f(region) 150 4069 y(ab)s(o)m(v)m(e)36 b Fk(R)481 4084 y Fj(bkg)633 4069 y Fp(.)55 b Fq(a)n(utobk)34 b Fp(uses)h(fourth)f(order)h(splines)d (\()p Fi(i.e.)p Fp(,)37 b(cubic)d(splines\))f(to)j(ensure)e(that)i(no) 150 4182 y(more)d(than)g(one)g(full)e(oscillation)g(of)i(the)g(spline)e (can)i(o)s(ccur)g(b)s(et)m(w)m(een)g(knots.)48 b(This)32 b(means)g(that)150 4295 y(the)f(highest)f(measurable)g Fi(R)35 b Fp(v)-5 b(alue)30 b(\(the)i(so-called)e(Nyquist)g(critical)g (frequency\))h(is)f Fk(R)3250 4310 y Fj(bkg)3397 4295 y Fp(,)i(and)150 4408 y(that)d(all)f(comp)s(onen)m(ts)h(of)g(the)g(bac) m(kground)g(ab)s(o)m(v)m(e)h Fk(R)2040 4423 y Fj(bkg)2215 4408 y Fp(comes)f(from)g(sp)s(ectral)f(leak)-5 b(age)30 b(due)e(to)150 4521 y(the)j(\014nite)e Fi(k)10 b Fp(-range.)150 4763 y Fh(5.2)112 b(Information)37 b(theory)g(and)h(XAFS)150 4935 y Fp(There)28 b(is)g(a)h(fundamen)m(tal)f(result)g(of)h (information)e(theory)i([13)q(])g(that)h(limits)c(n)m(um)m(b)s(er)i(of) h(frequen-)150 5048 y(cies)f(that)h(can)f(b)s(e)g(distinguished)c(in)j (a)i(signal)d(with)h(\014nite)g(time)h(duration.)39 b(This)26 b(is)h(essen)m(tially)h(a)150 5161 y(restatemen)m(t)i(of)f(the)f (uncertain)m(t)m(y)h(relation)e(for)i(F)-8 b(ourier)28 b(conjugate)h(v)-5 b(ariables.)39 b(F)-8 b(or)29 b(signal)e(anal-)150 5274 y(ysis,)f(this)e(result)g(\(often)j(attributed)d(to)j(Shannon\))d (can)i(b)s(e)e(stated)j(quan)m(titativ)m(ely)e(lik)m(e)g(this:)37 b(F)-8 b(or)150 5387 y(a)26 b(signal)f(with)g(time)g(duration)g(\001)p Fk(t)p Fp(,)i(t)m(w)m(o)g(frequencies)e(cannot)i(b)s(e)e(distinguished) d(if)j(they)h(di\013er)f(b)m(y)150 5500 y(less)33 b(than)h Fk(\016)s(!)g Fp(=)d Fk(\031)s(=)p Fp(\001)p Fk(t)p Fp(.)51 b(Since)32 b(only)h(a)h(\014nite)f(frequency)g(range)h(\(or)g (bandwidth\))e(can)i(b)s(e)f(used)1830 5749 y(11)p eop %%Page: 12 14 12 13 bop 150 191 a Fp(for)34 b(an)m(y)h(real)e(signal,)i(there)f(is)f (a)i(\014nite)e(limit)f(on)i(the)h(n)m(um)m(b)s(er)d(of)j (distinguishable)30 b(frequencies)150 304 y(measurable)f(in)g(a)h (signal.)39 b(In)30 b(this)f(sense)g(there)i(is)e(an)h(upp)s(er)e (limit)f(on)j(the)g(amoun)m(t)h(of)f(informa-)150 417 y(tion)h(that)i(can)f(b)s(e)f(transmitted)h(in)e(a)i(signal)f(through)g (its)g(di\013eren)m(t)h(frequencies.)44 b(This)30 b(limit)g(is)150 530 y(just)h(the)h(maxim)m(um)e(n)m(um)m(b)s(er)h(of)g(indep)s(enden)m (tly)e(detectable)j(frequencies)f(in)f(the)i(signal,)f(giv)m(en)150 643 y(b)m(y)1628 792 y Fk(N)k Fo(\031)1842 731 y Fp(\001)p Fk(t)p Fp(\001)p Fk(!)p 1842 771 245 4 v 1937 855 a(\031)2097 792 y(;)1362 b Fp(\(4\))150 980 y(where)29 b(\001)p Fk(t)g Fp(is)f(the)i(time)f(duration)f(of)h(the)h(signal)e(and)h(\001)p Fk(!)j Fp(is)c(the)i(measurable)e(frequency)h(range.)150 1093 y(W)-8 b(e)39 b(can)f(eliminate)f(the)h(appro)m(ximate)g(nature)g (of)g(Eq.)g(\(4\))h(b)m(y)f(lo)s(oking)f(at)i(the)f(F)-8 b(ourier)38 b(series)150 1206 y(up)s(on)24 b(whic)m(h)h(sampling)f (theory)i(is)f(based.)39 b(The)26 b(in)m(terpretation)f(from)h(this)f (approac)m(h)h(is)f(that)i(the)150 1319 y(information)22 b(is)h(tak)m(en)i(as)f(the)f(v)-5 b(alues)23 b(of)h(the)g(F)-8 b(ourier)23 b(co)s(e\016cien)m(ts,)j(whic)m(h)d(come)i(in)d(pairs,)i (spaced)150 1432 y(at)30 b(in)m(terv)-5 b(als)28 b(in)g Fk(!)k Fp(of)d Fk(\031)s(=)p Fp(2)15 b(\001)p Fk(t)p Fp(.)41 b(This)28 b(giv)m(es)h(the)g(amoun)m(t)h(of)f(information)f(a)h (clear)h(in)m(terpretation)150 1544 y(and)g(immediately)e(leads)i(to) 1550 1694 y Fk(N)35 b Fp(=)1764 1633 y(\001)p Fk(t)p Fp(\001)p Fk(!)p 1764 1673 V 1859 1756 a(\031)2038 1694 y Fp(+)20 b(1)p Fk(:)1285 b Fp(\(5\))150 1882 y(The)33 b(+1)g(represen)m(ts)g(the)g(constan)m(t)i(term)e(in)f(the)h(F)-8 b(ourier)32 b(series)h(expansion,)g(and)f(corresp)s(onds)150 1995 y(to)i(there)f(b)s(eing)f(one)h(F)-8 b(ourier)33 b(co)s(e\016cien)m(t)h(at)g Fk(!)f Fp(=)c(0)34 b(and)e(pairs)g(of)i(co) s(e\016cien)m(ts)f(at)h(all)e(non-zero)150 2108 y(m)m(ultiples)c(of)i Fk(\031)s(=)p Fp(2)15 b(\001)p Fk(t)p Fp(.)291 2221 y(F)-8 b(or)28 b(XAFS,)f(the)g(conjugate)h(v)-5 b(ariables)25 b(are)i Fi(k)36 b Fp(and)26 b(2)p Fi(R)t Fp(,)h(w)m(e)h(sample)d Fk(\037)p Fp(\()p Fk(k)s Fp(\))j(b)s(et)m(w)m(een)f Fk(k)3278 2235 y Fj(min)3454 2221 y Fp(and)150 2333 y Fk(k)197 2347 y Fj(max)365 2333 y Fp(,)34 b(and)e(w)m(an)m(t)h(to)h(get)g (structural)d(information)g(b)s(et)m(w)m(een)j Fk(R)2435 2347 y Fj(min)2622 2333 y Fp(and)e Fk(R)2870 2347 y Fj(max)3038 2333 y Fp(.)47 b(The)32 b(amoun)m(t)150 2446 y(of)j(information)d(w)m (e)j(can)g(get)h(out)e(of)h(an)g(XAFS)f(measuremen)m(t)h(is)f (therefore)g(giv)m(en)h(b)m(y)f(Eq.)h(\(5\))150 2559 y(to)c(b)s(e)f(simply)e(giv)m(en)i(b)m(y)1086 2806 y Fk(N)36 b Fp(=)1300 2745 y(2\()p Fk(R)1449 2759 y Fj(max)1606 2745 y Fo(\000)20 b Fk(R)1766 2759 y Fj(min)1888 2745 y Fp(\))15 b(\()p Fk(k)2020 2759 y Fj(max)2177 2745 y Fo(\000)k Fk(k)2314 2759 y Fj(min)2437 2745 y Fp(\))p 1300 2785 1172 4 v 1859 2869 a Fk(\031)2502 2806 y Fp(+)h(1)p Fk(;)821 b Fp(\(6\))150 3031 y(This)29 b(is)g(v)-5 b(alid)29 b(for)h(the)h(whole)e Fi(R)t Fp(-range,)j(ev)m(en)f(the)f(lo)m(w-)p Fi(R)35 b Fp(region)30 b(where)g(there)g(is)g(no)g(structural)150 3144 y(information)41 b(in)g(the)i(XAFS)54 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\)!)78 b(\(F)-8 b(or)43 b(more)g(on)g(this) e(sub)5 b(ject,)46 b(see)d([14)q(]\).)78 b(Since)42 b(XAFS)150 3257 y(analysis)24 b(is)h(in)m(tended)f(to)i(giv)m(e)g(information)e (ab)s(out)i(the)f(atomic)i(structure,)f(and)f(since)g(the)h(lo)m(w-)p Fi(R)150 3370 y Fp(region)k(has)g(none,)h(the)f(in)m(terpretation)g(in) f Fq(a)n(utobk)g Fp(is)g(that)291 3483 y Fi(A)n(l)5 b(l)33 b(the)h(information)i(b)-5 b(elow)35 b(the)f(\014rst)h(p)-5 b(e)g(ak)35 b(in)44 b Fp(~)-55 b Fk(\037)o Fp(\()p Fk(R)q Fp(\))35 b Fi(c)-5 b(an)34 b(b)-5 b(e)34 b(use)-5 b(d)34 b(to)g(determine)h(the)f(b)-5 b(ack-)150 3596 y(gr)g(ound.)185 3709 y Fp(W)d(e)37 b(then)e(ha)m(v)m(e)i(a)f(clear)g(de\014nition)d(of) j(ho)m(w)f(m)m(uc)m(h)h(information)e(can)i(b)s(e)e(used)h(in)f (getting)j(the)150 3822 y(bac)m(kground,)27 b(giv)m(en)f(b)m(y)g(Eq.)g (\(3\).)40 b Fk(R)1427 3837 y Fj(bkg)1595 3822 y Fp(is)25 b(the)h(only)g(term)f(in)g(this)g(de\014nition)e(whic)m(h)i(dep)s(ends) f(at)150 3935 y(all)31 b(on)h(the)h(ph)m(ysical)e(details)g(of)i(the)f (atomic)h(distribution)c(of)j(the)g(system,)i(and)d(is)h(easily)f(in)m (ter-)150 4048 y(preted)e(as)g(the)g(lo)m(w-)p Fi(R)k Fp(cut-o\013)d(b)s(elo)m(w)e(whic)m(h)g(the)h(data)g(will)e(not)i(b)s (e)f(analyzed)h(for)g(its)f(structural)150 4161 y(con)m(ten)m(t.)41 b(Finally)-8 b(,)25 b(since)f(w)m(e're)i(in)m(terpreting)d(the)j(bac)m (kground)e(information)g(as)h(co)s(e\016cien)m(ts)h(in)e(a)150 4273 y(F)-8 b(ourier)26 b(series,)g(w)m(e)h(kno)m(w)f(the)h (information)d(m)m(ust)i(b)s(e)g(equally)f(spaced)h(in)f(b)s(oth)g Fi(k)10 b Fp(-)26 b(and)g Fi(R)t Fp(-space.)150 4517 y Fh(5.3)112 b(Using)37 b(Splines)g(to)g(Appro)m(ximate)f Fd(\026)1978 4532 y Fj(0)2017 4517 y Fc(\()p Fd(E)6 b Fc(\))150 4688 y Fp(A)26 b(spline)d(is)h(a)i(piecewise)f(p)s (olynomial,)f(a)h(function)g(made)g(up)g(of)g(sev)m(eral)h(con)m (tiguous)g(p)s(olynomial)150 4801 y(sections.)44 b(The)31 b(places)h(where)f(t)m(w)m(o)i(p)s(olynomial)c(pieces)i(meet)i(are)f (called)e(\\knots".)46 b(Splines)29 b(are)150 4914 y(commonly)38 b(used)f(to)i(appro)m(ximate)f(functions)e(that)j(are)g(exp)s(ected)f (to)h(b)s(e)e(fairly)g(smo)s(oth,)j(but)150 5027 y(whose)c(actual)h (form)f(is)f(not)i(completely)f(kno)m(wn.)58 b(They)36 b(are)h(esp)s(ecially)e(easy)i(to)g(use)f(b)s(ecause)150 5140 y(they)31 b(can)f(b)s(e)g(made)g(arbitrarily)e(\015exible)h(and)g (are)i(v)m(ery)g(easy)g(to)g(calculate)g(in)e(terms)h(of)h(a)f(small) 150 5253 y(n)m(um)m(b)s(er)e(of)i(degrees)g(of)g(freedom)g(\(t)m (ypically)-8 b(,)29 b(one)h(for)g(eac)m(h)h(knot\).)41 b(A)m(t)30 b(the)g(knots,)g(the)g(function)150 5366 y(m)m(ust)h(b)s(e)g (con)m(tin)m(uous)g(in)f(its)h(v)-5 b(alue,)32 b(but)e(some)i(of)g(its) e(deriv)-5 b(ativ)m(es)31 b(migh)m(t)g(ha)m(v)m(e)i(discon)m(tin)m (uities.)150 5479 y(Usually)i(only)h(it's)g(highest)g(non-trivial)f (deriv)-5 b(ativ)m(e)36 b(is)g(discon)m(tin)m(uous,)g(so)h(that)g(one)g (degree)h(of)1830 5749 y(12)p eop %%Page: 13 15 13 14 bop 150 191 a Fp(freedom)31 b(is)e(asso)s(ciated)j(with)d(eac)m (h)j(knot.)42 b(Endp)s(oin)m(ts)28 b(of)j(the)g(spline)e(need)h(to)i(b) s(e)e(dealt)g(with)g(as)150 304 y(sp)s(ecial)f(cases.)291 417 y Fq(a)n(utobk)k Fp(uses)i(something)f(v)m(ery)h(similar)d(to)k (standard)e(cubic)f(splines)g(\(it)h(actually)h(uses)f(b-)150 530 y(splines)39 b(of)i(fourth)g(order,)i(but)e(the)g(distinction)e(is) i(not)g(imp)s(ortan)m(t)g(for)g(the)g(discussion)e(here,)150 643 y(and)31 b(the)g(functional)f(form)h(of)h(the)f(p)s(olynomial)e (pieces)i(is)g(not)g(as)h(imp)s(ortan)m(t)f(as)g(the)h(amoun)m(t)g(of) 150 756 y(freedom)h(at)i(eac)m(h)g(knot\).)51 b(One)33 b(free)h(co)s(e\016cien)m(t)g(is)f(asso)s(ciated)h(with)e(eac)m(h)j(of) f(the)g Fk(N)3201 771 y Fj(bkg)3385 756 y Fp(knots)150 868 y(of)39 b(the)g(spline.)63 b(The)38 b(v)-5 b(alue)38 b(of)h(this)f(free)g(co)s(e\016cien)m(t)i(is)d(optimized)h(as)h (discussed)e(in)g(the)i(next)150 981 y(section.)61 b(Go)s(o)s(d)37 b(initial)d(v)-5 b(alues)36 b(for)h(the)g(free)g(co)s(e\016cien)m(ts)h (of)f(the)g(spline)e(turn)h(out)h(to)h(b)s(e)e(easy)150 1094 y(to)c(get)g(for)f(splines)d(b)m(y)j(guessing)g(that)g(the)g (spline)e(go)s(es)j(through)e(the)h Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))32 b(v)-5 b(alues)31 b(at)g(the)h(knot)150 1207 y(lo)s(cations.)45 b(Aside)31 b(from)g(giving)g(the)h(initial)e (guesses)i(of)g(the)g(spline)e(co)s(e\016cien)m(ts)i(the)h Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))32 b(data)150 1320 y(is)g(not)i (explicitly)d(used)h(for)h(ev)-5 b(aluating)33 b(the)g(bac)m(kground)g (function.)48 b(The)33 b(spline)e(is)h(not)i(forced)150 1433 y(in)29 b(an)m(y)i(w)m(a)m(y)g(to)g(go)g(through)f(an)m(y)h Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))31 b(p)s(oin)m(ts,)e(including)e (either)j(of)h(the)f(endp)s(oin)m(ts.)150 1675 y Fh(5.4)112 b(The)38 b(Optimization)c(of)k Fd(\026)1501 1690 y Fj(0)1540 1675 y Fc(\()p Fd(E)6 b Fc(\))150 1847 y Fp(The)38 b(bac)m(kground)h (function)f Fk(\026)1264 1861 y Fj(0)1303 1847 y Fp(\()p Fk(E)5 b Fp(\))40 b(is)e(c)m(hosen)h(in)f Fq(a)n(utobk)f Fp(to)j(b)s(e)e(a)i(spline)c(with)i Fk(N)3261 1862 y Fj(bkg)3456 1847 y Fp(free)150 1960 y(co)s(e\016cien)m(ts,)e(where)e Fk(N)980 1975 y Fj(bkg)1131 1960 y Fp(,)i(giv)m(en)e(b)m(y)g(Eq.)g (\(3\),)j(dep)s(ends)32 b(only)i(on)g Fk(R)2667 1975 y Fj(bkg)2852 1960 y Fp(and)g(the)g Fi(k)10 b Fp(-range)35 b(of)150 2073 y(the)k(data.)67 b(These)39 b(free)g(co)s(e\016cien)m(ts) h(are)f(the)g(ordinate)g(v)-5 b(alues)38 b(for)h(the)g(spline)e(at)i (eac)m(h)h(of)g(its)150 2186 y(knots)31 b(\(whic)m(h)f(are)h(ev)m(enly) f Fi(k)10 b Fp(-spaced\),)32 b(and)e(completely)g(sp)s(ecify)g(the)h (spline.)39 b(In)30 b(this)g(sense)h(the)150 2299 y Fk(\026)205 2313 y Fj(0)244 2299 y Fp(\()p Fk(E)5 b Fp(\))30 b(dep)s(ends)d(only)h (on)h(the)g Fk(N)1317 2314 y Fj(bkg)1491 2299 y Fp(free)g(spline)e(co)s (e\016cien)m(ts,)j(whic)m(h)d(I'll)h(denote)h(as)g(the)g(v)m(ector)150 2411 y Fl(y)35 b Fp(\(with)e Fk(N)559 2426 y Fj(bkg)743 2411 y Fp(comp)s(onen)m(ts\),)i(so)f(that)g Fk(\026)1678 2425 y Fj(0)1717 2411 y Fp(\()p Fk(E)5 b Fp(\))32 b(=)e Fk(\026)2047 2425 y Fj(0)2086 2411 y Fp(\()p Fk(E)5 b(;)15 b Fl(y)q Fp(\).)53 b(The)33 b(criterion)f(for)h(c)m(ho)s(osing)h(the) 150 2524 y(b)s(est)f Fk(\026)403 2538 y Fj(0)442 2524 y Fp(\()p Fk(E)5 b Fp(\))35 b(is)d(then)i(reduced)f(to)h(\014nding)d (the)j Fk(N)1919 2539 y Fj(bkg)2103 2524 y Fp(comp)s(onen)m(ts)f(of)h Fl(y)h Fp(whic)m(h)e(will)d(minimize)150 2637 y(the)44 b(non-structural)f(comp)s(onen)m(ts)h(of)h(the)f(resulting)53 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))45 b(b)s(elo)m(w)e Fk(R)2703 2652 y Fj(bkg)2864 2637 y Fp(.)82 b(This)42 b(expression)150 2750 y(of)j(the)f(\\smo)s(othness")h(argumen)m(t)g (for)f Fk(\026)1656 2764 y Fj(0)1696 2750 y Fp(\()p Fk(E)5 b Fp(\))45 b(can)g(easily)f(b)s(e)f(solv)m(ed)i(using)e(a)i (least-squares)150 2863 y(minimization)28 b(algorithm.)291 2976 y(The)33 b(function)g(to)h(minimize)d(in)h(the)i(least-squares)g (sense)g(in)e Fq(a)n(utobk)g Fp(is)h(a)h(function)e(of)i Fi(R)t Fp(,)150 3089 y(but)c(really)f(dep)s(ends)f(only)i(on)g(the)h Fk(N)1474 3104 y Fj(bkg)1651 3089 y Fp(spline)d(co)s(e\016cien)m(ts,)k (and)d(is)588 3339 y Fk(f)10 b Fp(\()p Fk(R)q(;)15 b Fl(y)q Fp(\))26 b(=)f(FT)1126 3220 y Fb(\024)1180 3278 y Fk(\026)p Fp(\()p Fk(k)s Fp(\))c Fo(\000)e Fk(\026)1521 3292 y Fj(0)1561 3278 y Fp(\()p Fk(k)s(;)c Fl(y)q Fp(\))p 1180 3318 599 4 v 1306 3402 a(\001)p Fk(\026)1437 3416 y Fj(0)1475 3402 y Fp(\()p Fk(E)1577 3416 y Fj(0)1617 3402 y Fp(\))1809 3339 y Fo(\000)20 b Fk(\037)1957 3354 y Fj(standard)2232 3339 y Fp(\()p Fk(k)s Fp(\))2352 3220 y Fb(\025)2760 3339 y Fk(R)26 b Fo(\024)f Fk(R)3020 3354 y Fj(bkg)3137 3339 y Fk(;)322 b Fp(\(7\))150 3580 y(where)31 b(FT)g(represen)m(ts)g(the)g(XAFS)g(F)-8 b(ourier)31 b(transform,)f(as)i(describ)s(ed)d(in)h(the)h Fq(uwxafs3.0)f Fp(ref-)150 3693 y(erence)37 b(do)s(cumen)m(t)e(on)h(XAFS)g(F)-8 b(ourier)35 b(transforms)h([11)q(].)57 b(Chapter)35 b(6)i(giv)m(es)f (suggested)h(v)-5 b(alues)150 3806 y(for)30 b(the)h(XAFS)f(F)-8 b(ourier)30 b(transform)g(parameters)h(to)g(use)f(in)f(bac)m(kground)h (remo)m(v)-5 b(al.)291 3919 y(The)34 b(non-linear)f(least-squares)i (minimization)d(of)j Fk(f)10 b Fp(\()p Fk(R)q(;)15 b Fl(y)q Fp(\))35 b(is)f(done)g(using)f(the)i(Lev)m(en)m(b)s(erg-)150 4032 y(Marquardt)40 b(algorithm[15,)g(16)q(].)70 b(Since)39 b Fk(f)10 b Fp(\()p Fk(R)q(;)15 b Fl(y)q Fp(\))41 b(is)e(complex,)j(b)s (oth)e(its)f(real)h(and)f(imaginary)150 4145 y(comp)s(onen)m(ts)d(are)g (minimized.)55 b(Only)34 b(the)i(region)f(b)s(elo)m(w)h Fk(R)2308 4160 y Fj(bkg)2496 4145 y Fp(is)f(used)g(in)g(the)h (minimization)150 4258 y(of)31 b Fk(f)10 b Fp(\()p Fk(R)q(;)15 b Fl(y)q Fp(\),)31 b(so)g(there)g(is)e(no)i(danger)f(of)h(mistak)m (enly)f(remo)m(ving)g(\\real")h(data)g(ab)s(o)m(v)m(e)h Fk(R)3220 4273 y Fj(bkg)3367 4258 y Fp(,)f(ev)m(en)150 4371 y(though)d Fk(N)529 4386 y Fj(bkg)703 4371 y Fp(ma)m(y)h(seem)g (lik)m(e)f(a)h(fairly)e(large)h(n)m(um)m(b)s(er)g(of)g(knots.)40 b(In)28 b(this)g(w)m(a)m(y)-8 b(,)30 b(all)e(information)150 4483 y(in)43 b Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))46 b(with)d Fi(R)48 b Fp(comp)s(onen)m(ts)d(b)s(elo)m(w)e Fk(R)1703 4498 y Fj(bkg)1909 4483 y Fp(are)i(used)f(to)h(giv)m(e)g Fk(\026)2678 4497 y Fj(0)2717 4483 y Fp(\()p Fk(E)5 b Fp(\),)50 b(and)44 b(none)g(of)h(the)150 4596 y(comp)s(onen)m(ts)31 b(ab)s(o)m(v)m(e)g Fk(R)977 4611 y Fj(bkg)1155 4596 y Fp(are)f(used.)291 4709 y(T)-8 b(o)45 b(ensure)e(that)h(only)g(the)g (non-structural)e(comp)s(onen)m(ts)j(of)f Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))45 b(are)f(remo)m(v)m(ed)h(in)e(the)150 4822 y(bac)m(kground)38 b(remo)m(v)-5 b(al,)41 b(the)e(exp)s(ected)g (sp)s(ectral)f(leak)-5 b(age)40 b(from)e(the)g(\014rst)g(shell)f(XAFS)i (from)f(a)150 4935 y(standard)j Fk(\037)p Fp(\()p Fk(k)s Fp(\))h(should)e(b)s(e)h(included)d(in)j(the)h(determination)e(of)i Fk(\026)2622 4949 y Fj(0)2661 4935 y Fp(\()p Fk(E)5 b Fp(\),)45 b(as)d(is)f(indicated)f(b)m(y)150 5048 y(the)33 b(term)g Fk(\037)586 5063 y Fj(standard)861 5048 y Fp(\()p Fk(k)s Fp(\))g(in)f(Eq.)h(\(7\).)49 b(If)32 b(no)h(standard)f Fk(\037)p Fp(\()p Fk(k)s Fp(\))h(is)f(giv)m(en,)i Fk(\037)2711 5063 y Fj(standard)2986 5048 y Fp(\()p Fk(k)s Fp(\))f(is)f(zero,)j(and) 150 5161 y(the)d(minimization)e(of)i Fk(f)10 b Fp(\()p Fk(R)q(;)15 b Fl(y)q Fp(\))33 b(in)d(Eq.)j(\(7\))g(will)c(b)s(e)j (equiv)-5 b(alen)m(t)31 b(to)i(minimizing)c(just)i(the)i(lo)m(w-)p Fi(R)150 5274 y Fp(comp)s(onen)m(ts)e(of)f Fk(\026)p Fp(\()p Fk(E)5 b Fp(\).)291 5387 y(Since)31 b(only)g(the)i(sp)s(ectral) e(leak)-5 b(age)33 b(\(due)f(to)h(the)f(\014nite)f Fi(k)10 b Fp(-range)33 b(of)f(the)g(data\))h(in)e(the)i(lo)m(w-)p Fi(R)150 5500 y Fp(region)23 b(will)d(b)s(e)j(used,)h(this)e(standard)g Fk(\037)p Fp(\()p Fk(k)s Fp(\))i(needs)f(to)h(b)s(e)e(only)h(a)g(rough) g(estimate)h(of)f(the)g(\014rst)g(shell)1830 5749 y(13)p eop %%Page: 14 16 14 15 bop 150 191 a Fp(XAFS.)30 b(Usually)e(either)h(a)g(calculation)g (from)g Fq(feff)f Fp(of)i(the)f(exp)s(ected)h(\014rst)f(shell)e(XAFS)j (sp)s(ectra)150 304 y(or)35 b(an)f(exp)s(erimen)m(tally)f(measured)h (standard)g Fk(\037)p Fp(\()p Fk(k)s Fp(\))h(\(one)h(for)e(whic)m(h)f (the)i(bac)m(kground)g(remo)m(v)-5 b(al)150 417 y(is)34 b(trusted\))i(can)f(b)s(e)g(used)f(as)i(the)f(standard)g Fk(\037)p Fp(\()p Fk(k)s Fp(\).)56 b(If)35 b(y)m(ou're)h(planning)d(to) j(compare)f(di\013eren)m(t)150 530 y Fk(\037)p Fp(\()p Fk(k)s Fp(\))j(data)h(in)d(later)i(analysis,)h(w)m(e)f(recommend)f (using)g(a)h(single)e(standard)h Fk(\037)p Fp(\()p Fk(k)s Fp(\))i(\(either)e(from)150 643 y Fq(feff)30 b Fp(or)i(exp)s(erimen)m (t\))f(for)g(all)g(bac)m(kground)g(remo)m(v)-5 b(als.)45 b(Our)30 b(exp)s(erience)h(is)g(that)h(the)g(resulting)150 756 y(bac)m(kground)h(is)e(not)i(extremely)g(sensitiv)m(e)f(to)i(the)e (details)g(of)h(the)g(standard)f Fk(\037)p Fp(\()p Fk(k)s Fp(\),)i(though)f(it)f(is)150 868 y(imp)s(ortan)m(t)e(to)h(ha)m(v)m(e)g (the)g(righ)m(t)f(bac)m(kscattering)i(atom)f(at)g(roughly)e(the)i(righ) m(t)f(distance.)291 981 y(If)38 b(a)h(standard)f Fk(\037)p Fp(\()p Fk(k)s Fp(\))h(is)e(used)h(in)f(the)i(optimization)e(of)i Fk(\026)2377 995 y Fj(0)2416 981 y Fp(\()p Fk(E)5 b Fp(\),)42 b(the)c(v)-5 b(alue)38 b(of)h Fk(E)3211 995 y Fj(0)3289 981 y Fp(and)f(the)150 1094 y(amplitude)h(of)i(the)g(standard)f Fk(\037)p Fp(\()p Fk(k)s Fp(\))h(can)h(b)s(e)e(altered)h(in)e(the)i (\014t.)72 b(The)41 b(\014t)f(of)h Fk(E)3076 1108 y Fj(0)3157 1094 y Fp(is)e(not)j(v)m(ery)150 1207 y(accurate)30 b(b)s(ecause)e (there)h(isn't)e(m)m(uc)m(h)h(information)f(in)g(the)i(lo)m(w-)p Fi(R)j Fp(region)c(that)h(dep)s(ends)d(on)i Fk(E)3535 1221 y Fj(0)3575 1207 y Fp(.)150 1320 y(So)c Fk(E)337 1334 y Fj(0)401 1320 y Fp(rarely)g(gets)h(mo)m(v)m(ed)h(b)m(y)e(more)g (than)h(5)f(eV.)h(The)f(\014tting)g(of)h Fk(E)2505 1334 y Fj(0)2569 1320 y Fp(can)f(b)s(e)g(turned)f(of)i(b)m(y)f(sa)m(ying)150 1433 y Ff(fixe0)46 b(=)i(true)36 b Fp(in)g Fg(autobk.inp)p Fp(.)58 b(The)36 b(amplitude)f(of)i(the)h(standard)e Fk(\037)p Fp(\()p Fk(k)s Fp(\))i(will)c(normally)i(b)s(e)150 1546 y(scaled)24 b(b)m(y)h(a)g(constan)m(t)h(factor)f(so)g(that)g(the)g (\014rst)f(shell)f(of)h(the)h(standard)35 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))25 b(is)e(the)i(same)g(size)g(as)150 1659 y(that)31 b(of)g(the)g(data)42 b(~)-55 b Fk(\037)p Fp(\()p Fk(R)q Fp(\).)42 b(This)29 b(is)h(done)g(to)i(mak)m(e)f(the)g (leak)-5 b(age)33 b(in)m(to)d(the)h(lo)m(w-)p Fi(R)k Fp(region)30 b(roughly)150 1772 y(the)j(righ)m(t)f(size.)48 b(This)31 b(scale)i(factor)h(is)e(c)m(hosen)i(to)f(mak)m(e)h(the)f (amplitudes)e(of)i(the)g(standard)f(and)150 1885 y(data)48 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))37 b(o)m(v)m(er)g(the)g (\014rst)e(shell)g(region,)j Fi(R)i Fp(=)c([)p Fk(R)1980 1900 y Fj(bkg)2169 1885 y Fp(+)g Fk(\031)s(=)p Fp(\001)p Fk(k)s Fp(,)j Fk(R)2635 1899 y Fj(1st)2766 1885 y Fp(])d(equal)g(in)f (size.)59 b(Note)150 1998 y(that)27 b(this)e(region)h(b)s(egins)e(at)j (the)g(pair)e(of)h(indep)s(enden)m(t)e(p)s(oin)m(ts)h(after)i(the)f (bac)m(kground)g Fi(R)t Fp(-region,)150 2110 y(so)j(as)g(to)g(prev)m (en)m(t)h(signi\014can)m(t)e(correlation)g(of)h(bac)m(kground)f (parameters)i(with)d(this)h(scale)h(factor.)150 2223 y Fk(R)219 2237 y Fj(1st)369 2223 y Fp(can)e(b)s(e)g(selected)h(using)e (the)i(k)m(eyw)m(ord)g Ff(R1st)e Fp(in)h Fg(autobk.inp)p Fp(,)e(and)i(has)g(a)h(default)f(v)-5 b(alue)27 b(of)150 2336 y Fk(R)219 2351 y Fj(bkg)395 2336 y Fp(+2.0)581 2320 y(\027)581 2336 y(A.)k(This)d(adjustmen)m(t)i(of)g(the)g (amplitude)d(of)j(the)g(standard)f Fk(\037)p Fp(\()p Fk(k)s Fp(\))i(can)f(b)s(e)f(turned)g(o\013)150 2449 y(b)m(y)h(putting)f Ff(fixamp)47 b(=)g(true)29 b Fp(in)g Fg(autobk.inp)p Fp(.)1830 5749 y(14)p eop %%Page: 15 17 15 16 bop 150 191 a Fm(6)135 b(Examples)150 394 y Fp(All)26 b(the)h(\014les)f(men)m(tioned)g(in)g(this)g(c)m(hapter)h(should)e(ha)m (v)m(e)j(b)s(een)f(included)d(in)i(y)m(our)g(distribution)e(of)150 507 y(the)33 b Fq(uwxafs3.0)f Fp(programs.)47 b(If)32 b(y)m(ou)h(don't)g(ha)m(v)m(e)h(these)f(\014les,)f(con)m(tact)j(us)d (and)g(w)m(e'll)g(get)i(them)150 620 y(to)c(y)m(ou.)40 b(All)27 b(\014les)h(and)g(examples)h(use)f(the)h(ASCI)s(I)e(\014le)h (t)m(yp)s(e)h(and)g(ha)m(v)m(e)h(b)s(een)e(renamed)g(to)h(guard)150 733 y(against)i(an)m(y)f(programs)g(in)f(the)i Fq(uwxafs3.0)e Fp(distribution)e(from)j(easily)f(o)m(v)m(erwriting)h(them.)291 846 y(The)k(distributed)e(\014les)i(include)e Fg(atoms-cu.inp)g Fp(whic)m(h,)j(if)e(copied)h(to)i Fg(atoms.inp)p Fp(,)e(can)h(b)s(e)150 958 y(run)25 b(through)g Fq(a)-6 b(toms)p Fp([17].)39 b(This)25 b(will)e(write)i(a)i Fg(feff.inp)p Fp(,)e(whic)m(h)f(can)j(b) s(e)e(run)g(though)h Fq(feff)p Fp([18)o(].)150 1071 y(The)e Fg(cu-feff.chi)e Fp(\014le)i(used)g(in)f(the)j(example)e(b)s(elo)m(w)g (should)f(b)s(e)h(exactly)i(the)f(same)g(as)g Fg(chi.dat)150 1184 y Fp(generated)e(b)m(y)f Fq(feff)p Fp(.)37 b(Running)20 b Fq(a)-6 b(toms)20 b Fp(and)i Fq(feff)f Fp(and)g(examining)g(the)h (outputs)g(for)g(this)f(simple)150 1297 y(example)30 b(is)f(probably)g(a)i(w)m(orth)m(while)e(exercise.)150 1541 y Fh(6.1)112 b(Pure)37 b(Cu)h(example)150 1712 y Fp(Sho)m(wn)h(b)s(elo)m(w)f(is)h Fg(auto1.inp)p Fp(.)66 b(This)38 b(\014le)h(will)e(need)i(to)h(b)s(e)f(copied)g Fg(autobk.inp)e Fp(to)k(run)d(the)150 1825 y(program.)i(This)29 b(is)g(ab)s(out)i(as)f(simple)f(as)h Fq(a)n(utobk)f Fp(gets.)198 2013 y Ff(\045------------------\045)185 b(autobk.inp)236 b(\045-------------------\045)198 2126 y(title)189 b(=)48 b(Cu)f(10K,)g(with)f(standard)g(from)g(feff)198 2239 y(data)237 b(=)48 b(cu10k.dat)904 b(\045)48 b(xmu)e(data)198 2351 y(output)141 b(=)48 b(cu.dat)198 2464 y(standard)d(=)j (cu-feff.chi)808 b(\045)48 b(=)f(chi.dat)f(from)g(feff)198 2577 y(\045------------------\045)c(end)47 b(of)g(autobk.inp)e (\045-------------------\045)291 2765 y Fp(The)30 b Fg(autobk.log)e Fp(y)m(ou)i(get)i(from)e(this)f(input)f(\014le)i(should)e(b)s(e)i (similar)e(to)j(this:)198 2953 y Ff(---------------------)42 b(automatic)j(background)g(removal-----------------)o(----)293 3065 y(autobk:)h(version)94 b(2.61)142 b(17-jan-1995)198 3178 y(-----------------------)o(----)o(----)o(---)o(----)o(----)o(---) o(----)o(----)o(---)o(----)o(----)o(---)o(----)198 3291 y(Cu)47 b(10K,)g(with)f(standard)g(from)g(feff)198 3404 y(-----------------------)o(----)o(----)o(---)o(----)198 3517 y(input)g(xmu)h(data)g(file)f(name)h(and)g(skey:)f(cu10k.dat)93 b(ASCII)341 3630 y(first)46 b(document)g(line:)g(Cu)h(foil)g(at)g(10K) 198 3743 y(-----------------------)o(----)o(----)o(---)o(----)198 3856 y(input)f(theory)g(chi)h(file)g(name)f(and)h(skey:)g(cu-feff.chi) 92 b(ASCII)341 3969 y(first)46 b(document)g(line:)g(Cu)h(metal)g (chi.dat)f(from)g(feff601.a)198 4082 y(-----------------------)o(----)o (----)o(---)o(----)198 4195 y(output)g(chi)h(file)f(:)i(cu.chi)198 4307 y(-----------------------)o(----)o(----)o(---)o(----)198 4420 y(----------fitting)43 b(parameters----------)198 4533 y(initial)j(value)g(of)h(e0)381 b(=)286 b(8977.580078)198 4646 y(final)46 b(value)g(of)i(e0)476 b(=)286 b(8982.461914)198 4759 y(pre-edge)45 b(range)619 b(=)334 b(-50.000000)236 b(-200.000000)198 4872 y(pre-edge)45 b(line)667 b(=)96 b(-.502631E-03)44 b(*)j(Energy)g(+)142 b(.541864E+01)198 4985 y(edge)46 b(step)858 b(=)430 b(2.302949)198 5098 y(energy)46 b(range)714 b(=)286 b(8977.580078)188 b(11362.469727)198 5211 y(k)47 b(range)953 b(=)477 b(.000000)333 b(24.950001)198 5324 y(k)47 b(weight)905 b(=)430 b(1.000000)293 5437 y(fourier)46 b(transform)f(window:)1830 5749 y Fp(15)p eop %%Page: 16 18 16 17 bop 150 2000 a @beginspecial 125 @llx 270 @lly 466 @urx 498 @ury 3410 @rwi @setspecial %%BeginDocument: Figs/xmu+bkg.ps %DVIPSCommandLine: dvips -E psl2eps23445 -o xmu+bkg.ps %DVIPSParameters: dpi=300, compressed, comments removed %DVIPSSource: TeX output 1995.06.27:1410 /TeXDict 250 dict def TeXDict begin /N{def}def /B{bind def}N /S{exch}N /X{S N}B /TR{translate}N /isls false N /vsize 11 72 mul N /hsize 8.5 72 mul N /landplus90{false}def /@rigin{isls{[0 landplus90{1 -1}{-1 1} ifelse 0 0 0]concat}if 72 Resolution div 72 VResolution div neg scale isls{landplus90{VResolution 72 div vsize mul 0 exch}{Resolution -72 div hsize mul 0}ifelse TR}if Resolution VResolution vsize -72 div 1 add mul TR matrix currentmatrix dup dup 4 get round 4 exch put dup dup 5 get round 5 exch put setmatrix}N /@landscape{/isls true N}B /@manualfeed{ statusdict /manualfeed true put}B /@copies{/#copies X}B /FMat[1 0 0 -1 0 0]N /FBB[0 0 0 0]N /nn 0 N /IE 0 N /ctr 0 N /df-tail{/nn 8 dict N nn begin /FontType 3 N /FontMatrix fntrx N /FontBBox FBB N string /base X array /BitMaps X /BuildChar{CharBuilder}N /Encoding IE N end dup{/foo setfont}2 array copy cvx N load 0 nn put /ctr 0 N[}B /df{/sf 1 N /fntrx FMat N df-tail}B /dfs{div /sf X /fntrx[sf 0 0 sf neg 0 0]N df-tail}B /E{ pop nn dup definefont setfont}B /ch-width{ch-data dup length 5 sub get} B /ch-height{ch-data dup length 4 sub get}B /ch-xoff{128 ch-data dup length 3 sub get sub}B /ch-yoff{ch-data dup length 2 sub get 127 sub}B /ch-dx{ch-data dup length 1 sub get}B /ch-image{ch-data dup type /stringtype ne{ctr get /ctr ctr 1 add N}if}B /id 0 N /rw 0 N /rc 0 N /gp 0 N /cp 0 N /G 0 N /sf 0 N /CharBuilder{save 3 1 roll S dup /base get 2 index get S /BitMaps get S get /ch-data X pop /ctr 0 N ch-dx 0 ch-xoff ch-yoff ch-height sub ch-xoff ch-width add ch-yoff setcachedevice ch-width ch-height true[1 0 0 -1 -.1 ch-xoff sub ch-yoff .1 add]/id ch-image N /rw ch-width 7 add 8 idiv string N /rc 0 N /gp 0 N /cp 0 N{ rc 0 ne{rc 1 sub /rc X rw}{G}ifelse}imagemask restore}B /G{{id gp get /gp gp 1 add N dup 18 mod S 18 idiv pl S get exec}loop}B /adv{cp add /cp X}B /chg{rw cp id gp 4 index getinterval putinterval dup gp add /gp X adv}B /nd{/cp 0 N rw exit}B /lsh{rw cp 2 copy get dup 0 eq{pop 1}{dup 255 eq{pop 254}{dup dup add 255 and S 1 and or}ifelse}ifelse put 1 adv} B /rsh{rw cp 2 copy get dup 0 eq{pop 128}{dup 255 eq{pop 127}{dup 2 idiv S 128 and or}ifelse}ifelse put 1 adv}B /clr{rw cp 2 index string putinterval adv}B /set{rw cp fillstr 0 4 index getinterval putinterval adv}B /fillstr 18 string 0 1 17{2 copy 255 put pop}for N /pl[{adv 1 chg} {adv 1 chg nd}{1 add chg}{1 add chg nd}{adv lsh}{adv lsh nd}{adv rsh}{ adv rsh nd}{1 add adv}{/rc X nd}{1 add set}{1 add clr}{adv 2 chg}{adv 2 chg nd}{pop nd}]dup{bind pop}forall N /D{/cc X dup type /stringtype ne{] }if nn /base get cc ctr put nn /BitMaps get S ctr S sf 1 ne{dup dup length 1 sub dup 2 index S get sf div put}if put /ctr ctr 1 add N}B /I{ cc 1 add D}B /bop{userdict /bop-hook known{bop-hook}if /SI save N @rigin 0 0 moveto /V matrix currentmatrix dup 1 get dup mul exch 0 get dup mul add .99 lt{/QV}{/RV}ifelse load def pop pop}N /eop{SI restore showpage userdict /eop-hook known{eop-hook}if}N /@start{userdict /start-hook known{start-hook}if pop /VResolution X /Resolution X 1000 div /DVImag X /IE 256 array N 0 1 255{IE S 1 string dup 0 3 index put cvn put}for 65781.76 div /vsize X 65781.76 div /hsize X}N /p{show}N /RMat[1 0 0 -1 0 0]N /BDot 260 string N /rulex 0 N /ruley 0 N /v{/ruley X /rulex X V}B /V {}B /RV statusdict begin /product where{pop product dup length 7 ge{0 7 getinterval dup(Display)eq exch 0 4 getinterval(NeXT)eq or}{pop false} ifelse}{false}ifelse end{{gsave TR -.1 -.1 TR 1 1 scale rulex ruley false RMat{BDot}imagemask grestore}}{{gsave TR -.1 -.1 TR rulex ruley scale 1 1 false RMat{BDot}imagemask grestore}}ifelse B /QV{gsave transform round exch round exch itransform moveto rulex 0 rlineto 0 ruley neg rlineto rulex neg 0 rlineto fill grestore}B /a{moveto}B /delta 0 N /tail{dup /delta X 0 rmoveto}B /M{S p delta add tail}B /b{S p tail} B /c{-4 M}B /d{-3 M}B /e{-2 M}B /f{-1 M}B /g{0 M}B /h{1 M}B /i{2 M}B /j{ 3 M}B /k{4 M}B /w{0 rmoveto}B /l{p -4 w}B /m{p -3 w}B /n{p -2 w}B /o{p -1 w}B /q{p 1 w}B /r{p 2 w}B /s{p 3 w}B /t{p 4 w}B /x{0 S rmoveto}B /y{ 3 2 roll p a}B /bos{/SS save N}B /eos{SS restore}B end TeXDict begin /SDict 200 dict N SDict begin /@SpecialDefaults{/hs 612 N /vs 792 N /ho 0 N /vo 0 N /hsc 1 N /vsc 1 N /ang 0 N /CLIP 0 N /rwiSeen false N /rhiSeen false N /letter{}N /note{}N /a4{}N /legal{}N}B /@scaleunit 100 N /@hscale{@scaleunit div /hsc X}B /@vscale{@scaleunit div /vsc X}B /@hsize{/hs X /CLIP 1 N}B /@vsize{/vs X /CLIP 1 N}B /@clip{ /CLIP 2 N}B /@hoffset{/ho X}B /@voffset{/vo X}B /@angle{/ang X}B /@rwi{ 10 div /rwi X /rwiSeen true N}B /@rhi{10 div /rhi X /rhiSeen true N}B /@llx{/llx X}B /@lly{/lly X}B /@urx{/urx X}B /@ury{/ury X}B /magscale true def end /@MacSetUp{userdict /md known{userdict /md get type /dicttype eq{userdict begin md length 10 add md maxlength ge{/md md dup length 20 add dict copy def}if end md begin /letter{}N /note{}N /legal{} N /od{txpose 1 0 mtx defaultmatrix dtransform S atan/pa X newpath clippath mark{transform{itransform moveto}}{transform{itransform lineto} }{6 -2 roll transform 6 -2 roll transform 6 -2 roll transform{ itransform 6 2 roll itransform 6 2 roll itransform 6 2 roll curveto}}{{ closepath}}pathforall newpath counttomark array astore /gc xdf pop ct 39 0 put 10 fz 0 fs 2 F/|______Courier fnt invertflag{PaintBlack}if}N /txpose{pxs pys scale ppr aload pop por{noflips{pop S neg S TR pop 1 -1 scale}if xflip yflip and{pop S neg S TR 180 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{pop S neg S TR pop 180 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{ppr 1 get neg ppr 0 get neg TR}if}{noflips{TR pop pop 270 rotate 1 -1 scale}if xflip yflip and{TR pop pop 90 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{TR pop pop 90 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{TR pop pop 270 rotate ppr 2 get ppr 0 get neg sub neg 0 S TR}if}ifelse scaleby96{ppr aload pop 4 -1 roll add 2 div 3 1 roll add 2 div 2 copy TR .96 dup scale neg S neg S TR}if}N /cp {pop pop showpage pm restore}N end}if}if}N /normalscale{Resolution 72 div VResolution 72 div neg scale magscale{DVImag dup scale}if 0 setgray} N /psfts{S 65781.76 div N}N /startTexFig{/psf$SavedState save N userdict maxlength dict begin /magscale false def normalscale currentpoint TR /psf$ury psfts /psf$urx psfts /psf$lly psfts /psf$llx psfts /psf$y psfts /psf$x psfts currentpoint /psf$cy X /psf$cx X /psf$sx psf$x psf$urx psf$llx sub div N /psf$sy psf$y psf$ury psf$lly sub div N psf$sx psf$sy scale psf$cx psf$sx div psf$llx sub psf$cy psf$sy div psf$ury sub TR /showpage{}N /erasepage{}N /copypage{}N /p 3 def @MacSetUp}N /doclip{ psf$llx psf$lly psf$urx psf$ury currentpoint 6 2 roll newpath 4 copy 4 2 roll moveto 6 -1 roll S lineto S lineto S lineto closepath clip newpath moveto}N /endTexFig{end psf$SavedState restore}N /@beginspecial{SDict begin /SpecialSave save N gsave normalscale currentpoint TR @SpecialDefaults count /ocount X /dcount countdictstack N}N /@setspecial {CLIP 1 eq{newpath 0 0 moveto hs 0 rlineto 0 vs rlineto hs neg 0 rlineto closepath clip}if ho vo TR hsc vsc scale ang rotate rwiSeen{rwi urx llx sub div rhiSeen{rhi ury lly sub div}{dup}ifelse scale llx neg lly neg TR }{rhiSeen{rhi ury lly sub div dup scale llx neg lly neg TR}if}ifelse CLIP 2 eq{newpath llx lly moveto urx lly lineto urx ury lineto llx ury lineto closepath clip}if /showpage{}N /erasepage{}N /copypage{}N newpath }N /@endspecial{count ocount sub{pop}repeat countdictstack dcount sub{ end}repeat grestore SpecialSave restore end}N /@defspecial{SDict begin} N /@fedspecial{end}B /li{lineto}B /rl{rlineto}B /rc{rcurveto}B /np{ /SaveX currentpoint /SaveY X N 1 setlinecap newpath}N /st{stroke SaveX SaveY moveto}N /fil{fill SaveX SaveY moveto}N /ellipse{/endangle X /startangle X /yrad X /xrad X /savematrix matrix currentmatrix N TR xrad yrad scale 0 0 1 startangle endangle arc savematrix setmatrix}N end TeXDict begin @defspecial /gnudict 40 dict def gnudict begin /Color false def /Solid false def /gnulinewidth 5.000 def /vshift -33 def /dl {10 mul} def /hpt 31.5 def /vpt 31.5 def /M {moveto} bind def /L {lineto} bind def /R {rmoveto} bind def /V {rlineto} bind def /vpt2 vpt 2 mul def /hpt2 hpt 2 mul def /Lshow { currentpoint stroke M 0 vshift R show } def /Rshow { currentpoint stroke M dup stringwidth pop neg vshift R show } def /Cshow { currentpoint stroke M dup stringwidth pop -2 div vshift R show } def /DL { Color {setrgbcolor Solid {pop []} if 0 setdash } {pop pop pop Solid {pop []} if 0 setdash} ifelse } def /BL { stroke gnulinewidth 2 mul setlinewidth } def /AL { stroke gnulinewidth 2 div setlinewidth } def /PL { stroke gnulinewidth setlinewidth } def /LTb { BL [] 0 0 0 DL } def /LTa { AL [1 dl 2 dl] 0 setdash 0 0 0 setrgbcolor } def /LT0 { PL [] 0 1 0 DL } def /LT1 { PL [4 dl 2 dl] 0 0 1 DL } def /LT2 { PL [2 dl 3 dl] 1 0 0 DL } def /LT3 { PL [1 dl 1.5 dl] 1 0 1 DL } def /LT4 { PL [5 dl 2 dl 1 dl 2 dl] 0 1 1 DL } def /LT5 { PL [4 dl 3 dl 1 dl 3 dl] 1 1 0 DL } def /LT6 { PL [2 dl 2 dl 2 dl 4 dl] 0 0 0 DL } def /LT7 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 1 0.3 0 DL } def /LT8 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 0.5 0.5 0.5 DL } def /P { stroke [] 0 setdash currentlinewidth 2 div sub M 0 currentlinewidth V stroke } def /D { stroke [] 0 setdash 2 copy vpt add M hpt neg vpt neg V hpt vpt neg V hpt vpt V hpt neg vpt V closepath stroke P } def /A { stroke [] 0 setdash vpt sub M 0 vpt2 V currentpoint stroke M hpt neg vpt neg R hpt2 0 V stroke } def /B { stroke [] 0 setdash 2 copy exch hpt sub exch vpt add M 0 vpt2 neg V hpt2 0 V 0 vpt2 V hpt2 neg 0 V closepath stroke P } def /C { stroke [] 0 setdash exch hpt sub exch vpt add M hpt2 vpt2 neg V currentpoint stroke M hpt2 neg 0 R hpt2 vpt2 V stroke } def /T { stroke [] 0 setdash 2 copy vpt 1.12 mul add M hpt neg vpt -1.62 mul V hpt 2 mul 0 V hpt neg vpt 1.62 mul V closepath stroke P } def /S { 2 copy A C} def end @fedspecial end TeXDict begin 40258437 52099154 1000 300 300 (psl2eps23445.dvi) @start /Fa 2 121 df22 D<3801E0F03806310C38081A1C0010133CEA201C14181400C65AA45BA314083860E01012 F0142038E1704038423080383C1F0016157E941C>120 D E /Fb 16 102 df<132013401380EA01005A12061204120CA25AA25AA312701260A312E0AE1260 A312701230A37EA27EA2120412067E7EEA0080134013200B327CA413>40 D<7E12407E7E12187E12041206A27EA2EA0180A313C01200A313E0AE13C0A312011380A3 EA0300A21206A21204120C5A12105A5A5A0B327DA413>I<127012F8A3127005057C840E> 46 D48 D<13801203120F12F312 03B3A9EA07C0EAFFFE0F217CA018>III<13021306130EA2131EA2132E134EA2138EA2EA010E1202A21204A21208 1210A21220A212401280B512F838000E00A7131F3801FFF015217FA018>I<0010138038 1E0700EA1FFF5B13F8EA13E00010C7FCA613F8EA130EEA1407381803801210380001C0A2 14E0A4127012F0A200E013C01280EA4003148038200700EA1006EA0C1CEA03F013227EA0 18>I<137EEA01C138030080380601C0EA0E03121C381801800038C7FCA212781270A2EA F0F8EAF30CEAF4067F00F81380EB01C012F014E0A51270A3003813C0A238180380001C13 00EA0C06EA070CEA01F013227EA018>I<12401260387FFFE014C0A23840008038C00100 12801302A2485A5BA25B133013201360A313E05BA21201A41203A86C5A13237DA118>I< EA01F8EA060EEA0803381001801220EB00C01260A3127038780180003E1300EA3F02EA1F C4EA0FF812037FEA067F38083F80EA100F383007C0EA6001EB00E05A1460A40060134014 C06C138038180300EA0E0EEA03F013227EA018>II69 D86 D101 D E end TeXDict begin 1 0 bop 164 1824 a @beginspecial @setspecial gnudict begin gsave 50 50 translate 0.100 0.100 scale 0 setgray /Helvetica findfont 100 scalefont setfont newpath -500.000000 -500.000000 translate LTa LTb 600 251 M 63 0 V 2754 0 R -63 0 V 600 561 M 63 0 V 2754 0 R -63 0 V 600 870 M 63 0 V 2754 0 R -63 0 V 600 1180 M 63 0 V 2754 0 R -63 0 V 600 1490 M 63 0 V 2754 0 R -63 0 V 600 1799 M 63 0 V 2754 0 R -63 0 V 600 2109 M 63 0 V 2754 0 R -63 0 V 600 251 M 0 63 V 0 1795 R 0 -63 V 952 251 M 0 63 V 0 1795 R 0 -63 V 1304 251 M 0 63 V 0 1795 R 0 -63 V 1656 251 M 0 63 V 0 1795 R 0 -63 V 2009 251 M 0 63 V 0 1795 R 0 -63 V 2361 251 M 0 63 V 0 1795 R 0 -63 V 2713 251 M 0 63 V 0 1795 R 0 -63 V 3065 251 M 0 63 V 0 1795 R 0 -63 V 3417 251 M 0 63 V 0 1795 R 0 -63 V 600 251 M 2817 0 V 0 1858 V -2817 0 V 600 251 L LT0 600 527 M 23 -2 V 35 -2 V 35 -3 V 35 -1 V 2 -1 V 2 1 V 2 -1 V 1 0 V 2 0 V 2 0 V 1 0 V 2 0 V 2 0 V 2 0 V 1 0 V 2 0 V 2 0 V 2 0 V 1 0 V 2 0 V 1 0 V 2 0 V 2 0 V 2 0 V 1 0 V 2 -1 V 2 0 V 2 0 V 1 0 V 2 0 V 2 0 V 1 0 V 2 0 V 2 0 V 1 1 V 2 0 V 2 -1 V 1 1 V 2 0 V 2 0 V 2 0 V 1 0 V 2 0 V 2 0 V 1 0 V 2 0 V 2 0 V 1 0 V 2 0 V 2 1 V 2 0 V 1 0 V 2 0 V 2 0 V 1 1 V 2 0 V 2 0 V 1 0 V 2 1 V 2 0 V 2 1 V 1 0 V 2 1 V 2 0 V 1 1 V 2 0 V 2 1 V 1 1 V 2 1 V 2 1 V 2 1 V 1 1 V 2 2 V 2 1 V 2 2 V 1 3 V 2 2 V 1 2 V 2 5 V 2 5 V 2 6 V 1 5 V 2 14 V 2 9 V 1 15 V 2 40 V 2 49 V 1 86 V 2 142 V 2 127 V 2 87 V 1 42 V 2 15 V 2 -5 V 1 -13 V 2 -15 V 2 -8 V 1 9 V 2 16 V 2 28 V 2 33 V 1 27 V 2 22 V 2 24 V 1 38 V 2 24 V 2 45 V 2 43 V 1 64 V 2 48 V 2 69 V 1 67 V 2 49 V 2 48 V 1 61 V 2 67 V 2 27 V 2 28 V 1 5 V 2 -9 V 2 -14 V 1 -24 V 2 -24 V 2 -24 V 2 -27 V 1 -21 V 2 -12 V 2 -8 V 1 -4 V 2 6 V 2 12 V 1 21 V 2 39 V 2 21 V 1 34 V 2 32 V 2 23 V 2 11 V 1 -2 V 2 -12 V 2 -26 V 1 -15 V 2 -25 V 2 -14 V 1 -35 V 2 -16 V 2 -19 V 2 -19 V 1 -13 V 2 -13 V 2 -17 V 1 -12 V 2 -12 V 2 -9 V 2 -5 V 1 -1 V 4 6 V 4 9 V 4 15 V 4 18 V 4 32 V 4 32 V 4 24 V 5 36 V 4 35 V 4 27 V 5 21 V 4 3 V 5 -19 V 5 -38 V 4 -36 V 5 -44 V 5 -33 V 5 -22 V 5 -15 V 5 -3 V 5 6 V 5 15 V 6 13 V 5 4 V 5 -6 V 6 -7 V 5 4 V 6 17 V 6 17 V 5 4 V 6 -3 V 6 1 V 6 14 V 6 19 V 6 17 V 6 11 V 7 11 V 6 14 V 6 20 V 7 22 V 6 16 V 7 1 V 6 -16 V 7 -32 V 7 -44 V 6 -36 V 7 -28 V 7 -25 V 7 -13 V 7 -3 V 8 -13 V 7 -34 V 7 -30 V 7 -23 V 8 -5 V 7 13 V 8 22 V 7 30 V 8 32 V 8 31 V 8 21 V 8 4 V 8 -10 V 8 -13 V 8 -3 V 8 25 V 8 60 V 8 77 V 9 39 V 8 2 V 9 -18 V 8 -19 V 9 -21 V 9 -38 V 8 -51 V 9 -62 V 9 -68 V 9 -66 V 9 -57 V 9 -36 V 9 -4 V 10 30 V 9 53 V 9 62 V 10 61 V 9 40 V 10 22 V 9 -4 V 10 -24 V 10 -23 V 10 -11 V 10 -5 V 9 -17 V 11 -26 V 10 -5 V 10 29 V 10 60 V 10 60 V 11 20 V 10 2 V 11 -10 V 10 -26 V 11 -47 V 11 -59 V 10 -54 V 11 -42 V 11 -25 V 11 -11 V 11 3 V 11 20 V 11 14 V 12 -1 V 11 3 V 11 5 V 12 2 V 11 9 V 12 20 V 12 18 V 11 12 V 12 7 V 12 0 V 12 -1 V 12 6 V 12 9 V 12 12 V 12 10 V 12 -13 V 13 -30 V 12 -27 V 13 -30 V 12 -28 V 13 -12 V 12 3 V 13 12 V 13 10 V 13 -9 V 13 -24 V 13 -32 V 13 -15 V 13 15 V 13 16 V 13 0 V 14 7 V 13 10 V 13 5 V 14 5 V 14 5 V 13 5 V 14 4 V 14 4 V 14 1 V 13 1 V 15 0 V 13 -2 V 15 -11 V 14 -20 V 14 -26 V 14 -22 V 15 -7 V 14 0 V 15 6 V 14 9 V 15 6 V 15 -3 V 15 -9 V 15 -18 V 15 -18 V 14 -3 V 15 6 V 16 -2 V 15 -8 V 15 -4 V 15 0 V 16 5 V 15 9 V 16 8 V 16 10 V 15 12 V 16 10 V 16 3 V 16 -5 V 16 -16 V 15 -27 V 17 -28 V 16 -11 V 16 -3 V 16 -1 V 17 -2 V 16 1 V 16 3 V 17 0 V 17 -4 V 16 -3 V 17 -2 V 17 -5 V 17 -11 V 17 -5 V 17 -1 V 17 -1 V 17 3 V 17 3 V 17 -1 V 18 -1 V 17 3 V 18 5 V 17 -1 V 18 -6 V 17 -6 V 18 -6 V 18 -4 V 18 -5 V 18 -9 V 18 -7 V 18 -4 V 18 -3 V 18 0 V 19 -3 V 18 -8 V 15 -3 V LT1 600 527 M 23 -2 V 35 -2 V 35 -3 V 35 -1 V 2 -1 V 2 1 V 2 -1 V 1 0 V 2 0 V 2 0 V 1 0 V 2 0 V 2 0 V 2 0 V 1 0 V 2 0 V 2 0 V 2 0 V 1 0 V 2 0 V 1 0 V 2 0 V 2 0 V 2 0 V 1 0 V 2 -1 V 2 0 V 2 0 V 1 0 V 2 0 V 2 0 V 1 0 V 2 0 V 2 0 V 1 1 V 2 0 V 2 -1 V 1 1 V 2 0 V 2 0 V 2 0 V 1 0 V 2 0 V 2 0 V 1 0 V 2 0 V 2 0 V 1 0 V 2 0 V 2 1 V 2 0 V 1 0 V 2 0 V 2 0 V 1 1 V 2 0 V 2 0 V 1 0 V 2 1 V 2 0 V 2 1 V 1 0 V 2 1 V 2 0 V 1 1 V 2 0 V 2 1 V 1 1 V 2 1 V 2 1 V 2 1 V 1 1 V 2 2 V 2 1 V 2 2 V 1 3 V 2 2 V 1 2 V 2 5 V 2 5 V 2 6 V 1 5 V 2 14 V 2 9 V 1 15 V 2 40 V 2 49 V 1 86 V 2 -525 V 3 0 R 1 65 V 1 143 V 2 122 V 2 115 V 1 107 V 2 101 V 2 93 V 1 87 V 2 81 V 2 81 V 2 68 V 1 62 V 2 57 V 2 53 V 1 47 V 2 42 V 2 42 V 2 33 V 1 30 V 2 27 V 2 23 V 1 19 V 2 17 V 2 15 V 1 12 V 2 11 V 2 7 V 2 6 V 1 5 V 2 4 V 2 3 V 1 2 V 2 2 V 2 2 V 2 2 V 1 2 V 2 2 V 2 1 V 1 2 V 2 1 V 2 2 V 1 2 V 2 1 V 2 1 V 1 2 V 2 2 V 2 1 V 2 1 V 1 1 V 2 2 V 2 1 V 1 1 V 2 1 V 2 1 V 1 2 V 2 1 V 2 1 V 2 1 V 1 1 V 2 1 V 2 1 V 1 1 V 2 1 V 2 0 V 2 1 V 1 1 V 4 2 V 4 1 V 4 2 V 4 1 V 4 2 V 4 1 V 4 1 V 5 1 V 4 1 V 4 1 V 5 0 V 4 1 V 5 0 V 5 1 V 4 0 V 5 0 V 5 0 V 5 0 V 5 0 V 5 0 V 5 -1 V 5 0 V 6 0 V 5 -1 V 5 0 V 6 -1 V 5 0 V 6 -1 V 6 0 V 5 -1 V 6 -1 V 6 0 V 6 -1 V 6 0 V 6 -1 V 6 -1 V 7 -1 V 6 0 V 6 -1 V 7 -1 V 6 -1 V 7 -1 V 6 -1 V 7 0 V 7 -1 V 6 -1 V 7 -1 V 7 -1 V 7 -1 V 7 -1 V 8 -1 V 7 -2 V 7 -1 V 7 -1 V 8 -1 V 7 -1 V 8 -1 V 7 -2 V 8 -1 V 8 -1 V 8 -2 V 8 -1 V 8 -2 V 8 -1 V 8 -2 V 8 -1 V 8 -2 V 8 -1 V 9 -2 V 8 -1 V 9 -2 V 8 -2 V 9 -1 V 9 -2 V 8 -2 V 9 -2 V 9 -2 V 9 -1 V 9 -2 V 9 -2 V 9 -2 V 10 -2 V 9 -2 V 9 -2 V 10 -2 V 9 -2 V 10 -2 V 9 -3 V 10 -2 V 10 -2 V 10 -2 V 10 -2 V 9 -3 V 11 -2 V 10 -2 V 10 -2 V 10 -3 V 10 -2 V 11 -3 V 10 -2 V 11 -2 V 10 -3 V 11 -2 V 11 -3 V 10 -2 V 11 -3 V 11 -2 V 11 -3 V 11 -2 V 11 -3 V 11 -2 V 12 -3 V 11 -3 V 11 -2 V 12 -3 V 11 -2 V 12 -3 V 12 -3 V 11 -2 V 12 -3 V 12 -3 V 12 -2 V 12 -3 V 12 -3 V 12 -2 V 12 -3 V 12 -3 V 13 -2 V 12 -3 V 13 -3 V 12 -3 V 13 -2 V 12 -3 V 13 -3 V 13 -3 V 13 -2 V 13 -3 V 13 -3 V 13 -3 V 13 -2 V 13 -3 V 13 -3 V 14 -3 V 13 -3 V 13 -2 V 14 -3 V 14 -3 V 13 -3 V 14 -3 V 14 -3 V 14 -2 V 13 -3 V 15 -3 V 13 -3 V 15 -3 V 14 -3 V 14 -2 V 14 -3 V 15 -3 V 14 -3 V 15 -3 V 14 -3 V 15 -3 V 15 -2 V 15 -3 V 15 -3 V 15 -3 V 14 -3 V 15 -3 V 16 -3 V 15 -3 V 15 -2 V 15 -3 V 16 -3 V 15 -3 V 16 -3 V 16 -3 V 15 -3 V 16 -3 V 16 -3 V 16 -3 V 16 -2 V 15 -3 V 17 -3 V 16 -3 V 16 -3 V 16 -3 V 17 -3 V 16 -3 V 16 -3 V 17 -3 V 17 -2 V 16 -3 V 17 -3 V 17 -3 V 17 -3 V 17 -3 V 17 -3 V 17 -3 V 17 -3 V 17 -3 V 17 -3 V 18 -3 V 17 -2 V 18 -3 V 17 -3 V 18 -3 V 17 -3 V 18 -3 V 18 -3 V 18 -3 V 18 -3 V 18 -3 V 18 -3 V 18 -3 V 18 -3 V 19 -3 V 18 -2 V 15 -3 V stroke grestore end showpage @endspecial 928 1857 a Fb(E)16 b(\(eV\))256 1332 y gsave currentpoint currentpoint translate 270 rotate neg exch neg exch translate 256 1332 a 227 1323 a Fa(\026x)256 1332 y currentpoint grestore moveto 256 1332 a 1539 1777 a Fb(9700)-243 b(9600)h(9500)f(9400)g(9300)g(9200)h(9100)f(9000)g(8900)327 961 y(3.5)327 1090 y(3.0)327 1219 y(2.5)327 1348 y(2.0)327 1478 y(1.5)327 1606 y(1.0)327 1735 y(0.5)p eop end userdict /end-hook known{end-hook}if %%EndDocument @endspecial 196 x Fp(Figure)40 b(1:)61 b(Measured)41 b(x-ra)m(y)g(absorption)e(sp)s(ectra)i(for)f(Cu)g(at)h(10K)g(\(solid\)) f(and)f(the)i(smo)s(oth)150 2308 y(bac)m(kground)30 b(\(dashed\))g (found)f(b)m(y)i Fq(a)n(utobk)p Fp(,)e(using)g(the)h(simple)f(input)f (\014le)h(of)i Fg(auto1.inp)p Fp(.)198 2589 y Ff(sills:)46 b(dk1,)g(dk2)572 b(=)477 b(.000000)428 b(.000000)198 2701 y(#)47 b(of)g(knots)g(in)g(spline)332 b(=)191 b(15)198 2814 y(background)45 b(r)i(range)428 b(=)477 b(.000000)428 b(.981748)198 2927 y(the)47 b(theory)f(was)h(scaled)f(by)142 b(=)477 b(.310267)198 3040 y(1st)47 b(shell)f(r)h(range)476 b(=)h(.981748)380 b(2.945243)198 3153 y(-----------------------)o(----) o(----)o(---)o(----)o(----)o(---)o(----)o(----)o(---)o(----)o(----)o (---)o(----)291 3341 y Fp(Don't)34 b(w)m(orry)g(to)s(o)g(m)m(uc)m(h)f (if)f(there)i(are)g(sligh)m(t)e(di\013erences)h(in)f(the)h(actual)h(n)m (um)m(b)s(ers)e(y)m(ou)i(get)150 3454 y(|)27 b(precisions)e(v)-5 b(ary)26 b(for)h(di\013eren)m(t)f(mac)m(hines.)39 b(The)27 b(imp)s(ortan)m(t)f(n)m(um)m(b)s(ers)f(are)j Fk(E)2984 3468 y Fj(0)3050 3454 y Fp(\(whic)m(h)e(should)150 3567 y(b)s(e)37 b(within)e(a)j(few)g(eV)g(of)g(8982eV\),)j(the)d(n)m(um)m(b) s(er)e(of)i(knots)g(in)e(the)i(spline,)g(\(whic)m(h)f(should)f(b)s(e) 150 3679 y(exactly)25 b(15\),)i(and)d(the)h(upp)s(er)d(limit)g(of)j Fi(R)t Fp(-range)g(for)f(the)h(bac)m(kground,)g(\(whic)m(h)f(should)e (b)s(e)i(0.98)3505 3663 y(\027)3505 3679 y(A,)150 3792 y(the)37 b Fi(R)t Fp(-grid)f(p)s(oin)m(t)g(just)h(b)s(elo)m(w)f(1)1347 3776 y(\027)1347 3792 y(A,)i(the)f(default)f(v)-5 b(alue)36 b(for)h Fk(R)2409 3807 y Fj(bkg)2563 3792 y Fp(\).)61 b(The)37 b(edge)g(step)g(and)g(the)150 3905 y(slop)s(e)31 b(and)g(in)m(tercept)h(of)g(the)g(pre-edge)g(line)f(are)h(giv)m(en)g (\(here)g Ff(Energy)e Fp(is)h(the)h(total)h(energy)-8 b(,)33 b(not)150 4018 y(relativ)m(e)c(to)h Fk(E)649 4032 y Fj(0)689 4018 y Fp(,)g(in)e(eV\).)i(Output)e(data)i(\014les)f(from)f (this)h(running)d(of)k Fq(a)n(utobk)d Fp(will)g(b)s(e)i Fg(cuk.chi)p Fp(,)150 4131 y(con)m(taining)g(the)h Fk(\037)p Fp(\()p Fk(k)s Fp(\))h(data,)g(and)e Fg(cue.bkg)p Fp(,)f(con)m(taining) i(the)g Fk(\026)2405 4145 y Fj(0)2444 4131 y Fp(\()p Fk(E)5 b Fp(\))31 b(data)f(on)g(the)g(same)g(grid)f(as)150 4244 y(the)i(input)d(data)j(in)e Fg(cu10k.dat)p Fp(.)291 4357 y(Figure)e(1)g(sho)m(ws)g(the)g(lo)m(w)g(energy)h(part)f(of)g(the) g(the)h(original)d Fk(\026)p Fp(\()p Fk(E)5 b Fp(\))28 b(and)e(the)i Fk(\026)3040 4371 y Fj(0)3079 4357 y Fp(\()p Fk(E)5 b Fp(\))28 b(function.)150 4470 y(Note)g(that)f(there)g(is)f(a)h (large)g(spik)m(e)f(in)f(the)i Fk(\026)1701 4484 y Fj(0)1740 4470 y Fp(\()p Fk(E)5 b Fp(\))28 b(function)d(at)j(v)m(ery)f(lo)m(w)f (energy)-8 b(.)40 b(Suc)m(h)26 b(spik)m(es)g(at)150 4583 y(lo)m(w-energy)j(are)g(not)g(un)m(usual)d(from)i Fq(a)n(utobk)p Fp(,)g(but)g(do)g(not)h(cause)g(m)m(uc)m(h)g(of)g(a)g(problem.)38 b(In)28 b(this)150 4696 y(case,)i(the)e(en)m(tire)g(spik)m(e)f(is)g(b)s (elo)m(w)g(1)1431 4680 y(\027)1431 4696 y(A)1499 4663 y Fe(\000)p Fj(1)1593 4696 y Fp(,)i(whic)m(h)e(do)s(es)g(not)h(get)i(v) m(ery)e(m)m(uc)m(h)g(w)m(eigh)m(t)g(in)f(a)h(F)-8 b(ourier)150 4809 y(transform)30 b(in)m(to)g Fi(R)t Fp(-space,)h(and)f(so)h(is)e (not)i(v)m(ery)g(imp)s(ortan)m(t)e(in)g(the)i(\014t)f(done)g(b)m(y)g Fq(a)n(utobk)p Fp(.)40 b(Suc)m(h)150 4921 y(spik)m(es)f(do)g(imply)e (that)j(the)f Fq(a)n(utobk)f Fp(metho)s(d)h(ma)m(y)h(not)g(b)s(e)e (optimal)h(for)g(getting)h(near-edge)150 5034 y(structures,)31 b(but)g(that's)h(another)g(story)-8 b(.)44 b(The)31 b(resulting)e Fk(\037)p Fp(\()p Fk(k)s Fp(\))j(data)g(is)f(sho)m(wn)f(in)g(Fig.)i(2,) g(whic)m(h)150 5147 y(lo)s(oks)38 b(quite)g(go)s(o)s(d)g(ev)m(en)h(at)h (lo)m(w-)p Fi(k)10 b Fp(,)40 b(the)f(hard)e(part)h(of)h(bac)m(kground)f (remo)m(v)-5 b(al.)66 b(The)38 b(Cu)f(data)150 5260 y(actually)30 b(extends)g(reliably)e(out)j(to)g(ab)s(out)f(22)1822 5244 y(\027)1822 5260 y(A)1890 5227 y Fe(\000)p Fj(1)1985 5260 y Fp(.)1830 5749 y(16)p eop %%Page: 17 19 17 18 bop 150 2008 a @beginspecial 105 @llx 269 @lly 464 @urx 498 @ury 3590 @rwi @setspecial %%BeginDocument: Figs/chi.ps %DVIPSCommandLine: dvips -E PSLaTeX2EPSF -o chi.ps %DVIPSParameters: dpi=300, compressed, comments removed %DVIPSSource: TeX output 1995.04.26:1028 /TeXDict 250 dict def TeXDict begin /N{def}def /B{bind def}N /S{exch}N /X{S N}B /TR{translate}N /isls false N /vsize 11 72 mul N /hsize 8.5 72 mul N /landplus90{false}def /@rigin{isls{[0 landplus90{1 -1}{-1 1} ifelse 0 0 0]concat}if 72 Resolution div 72 VResolution div neg scale isls{landplus90{VResolution 72 div vsize mul 0 exch}{Resolution -72 div hsize mul 0}ifelse TR}if Resolution VResolution vsize -72 div 1 add mul TR matrix currentmatrix dup dup 4 get round 4 exch put dup dup 5 get round 5 exch put setmatrix}N /@landscape{/isls true N}B /@manualfeed{ statusdict /manualfeed true put}B /@copies{/#copies X}B /FMat[1 0 0 -1 0 0]N /FBB[0 0 0 0]N /nn 0 N /IE 0 N /ctr 0 N /df-tail{/nn 8 dict N nn begin /FontType 3 N /FontMatrix fntrx N /FontBBox FBB N string /base X array /BitMaps X /BuildChar{CharBuilder}N /Encoding IE N end dup{/foo setfont}2 array copy cvx N load 0 nn put /ctr 0 N[}B /df{/sf 1 N /fntrx FMat N df-tail}B /dfs{div /sf X /fntrx[sf 0 0 sf neg 0 0]N df-tail}B /E{ pop nn dup definefont setfont}B /ch-width{ch-data dup length 5 sub get} B /ch-height{ch-data dup length 4 sub get}B /ch-xoff{128 ch-data dup length 3 sub get sub}B /ch-yoff{ch-data dup length 2 sub get 127 sub}B /ch-dx{ch-data dup length 1 sub get}B /ch-image{ch-data dup type /stringtype ne{ctr get /ctr ctr 1 add N}if}B /id 0 N /rw 0 N /rc 0 N /gp 0 N /cp 0 N /G 0 N /sf 0 N /CharBuilder{save 3 1 roll S dup /base get 2 index get S /BitMaps get S get /ch-data X pop /ctr 0 N ch-dx 0 ch-xoff ch-yoff ch-height sub ch-xoff ch-width add ch-yoff setcachedevice ch-width ch-height true[1 0 0 -1 -.1 ch-xoff sub ch-yoff .1 add]/id ch-image N /rw ch-width 7 add 8 idiv string N /rc 0 N /gp 0 N /cp 0 N{ rc 0 ne{rc 1 sub /rc X rw}{G}ifelse}imagemask restore}B /G{{id gp get /gp gp 1 add N dup 18 mod S 18 idiv pl S get exec}loop}B /adv{cp add /cp X}B /chg{rw cp id gp 4 index getinterval putinterval dup gp add /gp X adv}B /nd{/cp 0 N rw exit}B /lsh{rw cp 2 copy get dup 0 eq{pop 1}{dup 255 eq{pop 254}{dup dup add 255 and S 1 and or}ifelse}ifelse put 1 adv} B /rsh{rw cp 2 copy get dup 0 eq{pop 128}{dup 255 eq{pop 127}{dup 2 idiv S 128 and or}ifelse}ifelse put 1 adv}B /clr{rw cp 2 index string putinterval adv}B /set{rw cp fillstr 0 4 index getinterval putinterval adv}B /fillstr 18 string 0 1 17{2 copy 255 put pop}for N /pl[{adv 1 chg} {adv 1 chg nd}{1 add chg}{1 add chg nd}{adv lsh}{adv lsh nd}{adv rsh}{ adv rsh nd}{1 add adv}{/rc X nd}{1 add set}{1 add clr}{adv 2 chg}{adv 2 chg nd}{pop nd}]dup{bind pop}forall N /D{/cc X dup type /stringtype ne{] }if nn /base get cc ctr put nn /BitMaps get S ctr S sf 1 ne{dup dup length 1 sub dup 2 index S get sf div put}if put /ctr ctr 1 add N}B /I{ cc 1 add D}B /bop{userdict /bop-hook known{bop-hook}if /SI save N @rigin 0 0 moveto /V matrix currentmatrix dup 1 get dup mul exch 0 get dup mul add .99 lt{/QV}{/RV}ifelse load def pop pop}N /eop{SI restore showpage userdict /eop-hook known{eop-hook}if}N /@start{userdict /start-hook known{start-hook}if pop /VResolution X /Resolution X 1000 div /DVImag X /IE 256 array N 0 1 255{IE S 1 string dup 0 3 index put cvn put}for 65781.76 div /vsize X 65781.76 div /hsize X}N /p{show}N /RMat[1 0 0 -1 0 0]N /BDot 260 string N /rulex 0 N /ruley 0 N /v{/ruley X /rulex X V}B /V {}B /RV statusdict begin /product where{pop product dup length 7 ge{0 7 getinterval dup(Display)eq exch 0 4 getinterval(NeXT)eq or}{pop false} ifelse}{false}ifelse end{{gsave TR -.1 -.1 TR 1 1 scale rulex ruley false RMat{BDot}imagemask grestore}}{{gsave TR -.1 -.1 TR rulex ruley scale 1 1 false RMat{BDot}imagemask grestore}}ifelse B /QV{gsave transform round exch round exch itransform moveto rulex 0 rlineto 0 ruley neg rlineto rulex neg 0 rlineto fill grestore}B /a{moveto}B /delta 0 N /tail{dup /delta X 0 rmoveto}B /M{S p delta add tail}B /b{S p tail} B /c{-4 M}B /d{-3 M}B /e{-2 M}B /f{-1 M}B /g{0 M}B /h{1 M}B /i{2 M}B /j{ 3 M}B /k{4 M}B /w{0 rmoveto}B /l{p -4 w}B /m{p -3 w}B /n{p -2 w}B /o{p -1 w}B /q{p 1 w}B /r{p 2 w}B /s{p 3 w}B /t{p 4 w}B /x{0 S rmoveto}B /y{ 3 2 roll p a}B /bos{/SS save N}B /eos{SS restore}B end TeXDict begin /SDict 200 dict N SDict begin /@SpecialDefaults{/hs 612 N /vs 792 N /ho 0 N /vo 0 N /hsc 1 N /vsc 1 N /ang 0 N /CLIP 0 N /rwiSeen false N /rhiSeen false N /letter{}N /note{}N /a4{}N /legal{}N}B /@scaleunit 100 N /@hscale{@scaleunit div /hsc X}B /@vscale{@scaleunit div /vsc X}B /@hsize{/hs X /CLIP 1 N}B /@vsize{/vs X /CLIP 1 N}B /@clip{ /CLIP 2 N}B /@hoffset{/ho X}B /@voffset{/vo X}B /@angle{/ang X}B /@rwi{ 10 div /rwi X /rwiSeen true N}B /@rhi{10 div /rhi X /rhiSeen true N}B /@llx{/llx X}B /@lly{/lly X}B /@urx{/urx X}B /@ury{/ury X}B /magscale true def end /@MacSetUp{userdict /md known{userdict /md get type /dicttype eq{userdict begin md length 10 add md maxlength ge{/md md dup length 20 add dict copy def}if end md begin /letter{}N /note{}N /legal{} N /od{txpose 1 0 mtx defaultmatrix dtransform S atan/pa X newpath clippath mark{transform{itransform moveto}}{transform{itransform lineto} }{6 -2 roll transform 6 -2 roll transform 6 -2 roll transform{ itransform 6 2 roll itransform 6 2 roll itransform 6 2 roll curveto}}{{ closepath}}pathforall newpath counttomark array astore /gc xdf pop ct 39 0 put 10 fz 0 fs 2 F/|______Courier fnt invertflag{PaintBlack}if}N /txpose{pxs pys scale ppr aload pop por{noflips{pop S neg S TR pop 1 -1 scale}if xflip yflip and{pop S neg S TR 180 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{pop S neg S TR pop 180 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{ppr 1 get neg ppr 0 get neg TR}if}{noflips{TR pop pop 270 rotate 1 -1 scale}if xflip yflip and{TR pop pop 90 rotate 1 -1 scale ppr 3 get ppr 1 get neg sub neg ppr 2 get ppr 0 get neg sub neg TR}if xflip yflip not and{TR pop pop 90 rotate ppr 3 get ppr 1 get neg sub neg 0 TR}if yflip xflip not and{TR pop pop 270 rotate ppr 2 get ppr 0 get neg sub neg 0 S TR}if}ifelse scaleby96{ppr aload pop 4 -1 roll add 2 div 3 1 roll add 2 div 2 copy TR .96 dup scale neg S neg S TR}if}N /cp {pop pop showpage pm restore}N end}if}if}N /normalscale{Resolution 72 div VResolution 72 div neg scale magscale{DVImag dup scale}if 0 setgray} N /psfts{S 65781.76 div N}N /startTexFig{/psf$SavedState save N userdict maxlength dict begin /magscale false def normalscale currentpoint TR /psf$ury psfts /psf$urx psfts /psf$lly psfts /psf$llx psfts /psf$y psfts /psf$x psfts currentpoint /psf$cy X /psf$cx X /psf$sx psf$x psf$urx psf$llx sub div N /psf$sy psf$y psf$ury psf$lly sub div N psf$sx psf$sy scale psf$cx psf$sx div psf$llx sub psf$cy psf$sy div psf$ury sub TR /showpage{}N /erasepage{}N /copypage{}N /p 3 def @MacSetUp}N /doclip{ psf$llx psf$lly psf$urx psf$ury currentpoint 6 2 roll newpath 4 copy 4 2 roll moveto 6 -1 roll S lineto S lineto S lineto closepath clip newpath moveto}N /endTexFig{end psf$SavedState restore}N /@beginspecial{SDict begin /SpecialSave save N gsave normalscale currentpoint TR @SpecialDefaults count /ocount X /dcount countdictstack N}N /@setspecial {CLIP 1 eq{newpath 0 0 moveto hs 0 rlineto 0 vs rlineto hs neg 0 rlineto closepath clip}if ho vo TR hsc vsc scale ang rotate rwiSeen{rwi urx llx sub div rhiSeen{rhi ury lly sub div}{dup}ifelse scale llx neg lly neg TR }{rhiSeen{rhi ury lly sub div dup scale llx neg lly neg TR}if}ifelse CLIP 2 eq{newpath llx lly moveto urx lly lineto urx ury lineto llx ury lineto closepath clip}if /showpage{}N /erasepage{}N /copypage{}N newpath }N /@endspecial{count ocount sub{pop}repeat countdictstack dcount sub{ end}repeat grestore SpecialSave restore end}N /@defspecial{SDict begin} N /@fedspecial{end}B /li{lineto}B /rl{rlineto}B /rc{rcurveto}B /np{ /SaveX currentpoint /SaveY X N 1 setlinecap newpath}N /st{stroke SaveX SaveY moveto}N /fil{fill SaveX SaveY moveto}N /ellipse{/endangle X /startangle X /yrad X /xrad X /savematrix matrix currentmatrix N TR xrad yrad scale 0 0 1 startangle endangle arc savematrix setmatrix}N end TeXDict begin @defspecial /gnudict 40 dict def gnudict begin /Color false def /Solid false def /gnulinewidth 5.000 def /vshift -33 def /dl {10 mul} def /hpt 31.5 def /vpt 31.5 def /M {moveto} bind def /L {lineto} bind def /R {rmoveto} bind def /V {rlineto} bind def /vpt2 vpt 2 mul def /hpt2 hpt 2 mul def /Lshow { currentpoint stroke M 0 vshift R show } def /Rshow { currentpoint stroke M dup stringwidth pop neg vshift R show } def /Cshow { currentpoint stroke M dup stringwidth pop -2 div vshift R show } def /DL { Color {setrgbcolor Solid {pop []} if 0 setdash } {pop pop pop Solid {pop []} if 0 setdash} ifelse } def /BL { stroke gnulinewidth 2 mul setlinewidth } def /AL { stroke gnulinewidth 2 div setlinewidth } def /PL { stroke gnulinewidth setlinewidth } def /LTb { BL [] 0 0 0 DL } def /LTa { AL [1 dl 2 dl] 0 setdash 0 0 0 setrgbcolor } def /LT0 { PL [] 0 1 0 DL } def /LT1 { PL [4 dl 2 dl] 0 0 1 DL } def /LT2 { PL [2 dl 3 dl] 1 0 0 DL } def /LT3 { PL [1 dl 1.5 dl] 1 0 1 DL } def /LT4 { PL [5 dl 2 dl 1 dl 2 dl] 0 1 1 DL } def /LT5 { PL [4 dl 3 dl 1 dl 3 dl] 1 1 0 DL } def /LT6 { PL [2 dl 2 dl 2 dl 4 dl] 0 0 0 DL } def /LT7 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 1 0.3 0 DL } def /LT8 { PL [2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 2 dl 4 dl] 0.5 0.5 0.5 DL } def /P { stroke [] 0 setdash currentlinewidth 2 div sub M 0 currentlinewidth V stroke } def /D { stroke [] 0 setdash 2 copy vpt add M hpt neg vpt neg V hpt vpt neg V hpt vpt V hpt neg vpt V closepath stroke P } def /A { stroke [] 0 setdash vpt sub M 0 vpt2 V currentpoint stroke M hpt neg vpt neg R hpt2 0 V stroke } def /B { stroke [] 0 setdash 2 copy exch hpt sub exch vpt add M 0 vpt2 neg V hpt2 0 V 0 vpt2 V hpt2 neg 0 V closepath stroke P } def /C { stroke [] 0 setdash exch hpt sub exch vpt add M hpt2 vpt2 neg V currentpoint stroke M hpt2 neg 0 R hpt2 vpt2 V stroke } def /T { stroke [] 0 setdash 2 copy vpt 1.12 mul add M hpt neg vpt -1.62 mul V hpt 2 mul 0 V hpt neg vpt 1.62 mul V closepath stroke P } def /S { 2 copy A C} def end @fedspecial end TeXDict begin 40258437 52099154 1000 300 300 (PSLaTeX2EPSF.dvi) @start /Fa 2 51 df<12035AB4FC1207B1EA7FF00C157E9412>49 DI E /Fb 1 1 df0 D E /Fc 10 66 df<121EEA61801240EA8040A3EA40801261EA1E000A0973A325>23 D<132013401380EA01005A12061204120CA25AA25AA312701260A312E0AE1260A3127012 30A37EA27EA2120412067E7EEA0080134013200B327CA413>40 D<7E12407E7E12187E12 041206A27EA2EA0180A313C01200A313E0AE13C0A312011380A3EA0300A21206A2120412 0C5A12105A5A5A0B327DA413>I45 D<127012F8A3127005057C 840E>I48 D<13801203120F12F31203B3A9EA07C0EAFFFE0F217CA018>II<00 101380381E0700EA1FFF5B13F8EA13E00010C7FCA613F8EA130EEA140738180380121038 0001C0A214E0A4127012F0A200E013C01280EA4003148038200700EA1006EA0C1CEA03F0 13227EA018>53 D<497EA3497EA3EB05E0A2EB0DF01308A2497E1478A2497EA3497EA349 7EA290B5FC3901000780A24814C000021303A24814E01401A2000CEB00F0A2003EEB01F8 39FF800FFF20237EA225>65 D E /Fd 2 108 df<000F1420D811C013407F0000148090 38F00100EB7002EB7804EB38085C133CEB1C205CEB1E806DC7FC130E130F7F5B1317EB27 8013431383380103C0EA020180EA04005A487F48EB708048EB390048131E1B1F7F941F> 31 D<13F0EA0FE01200A3485AA4485AA448C7FC1478EB0184EB021C380E0C3C1310EB20 18EB4000485A001FC7FC13E0EA1C38487EA27F140838701C10A3EB0C20EAE006386003C0 16237EA219>107 D E end TeXDict begin 1 0 bop 164 1824 a @beginspecial @setspecial gnudict begin gsave 50 50 translate 0.100 0.100 scale 0 setgray /Helvetica findfont 100 scalefont setfont newpath -500.000000 -500.000000 translate LTa 600 1313 M 2817 0 V 600 251 M 0 1858 V LTb 600 251 M 63 0 V 2754 0 R -63 0 V 600 516 M 63 0 V 2754 0 R -63 0 V 600 782 M 63 0 V 2754 0 R -63 0 V 600 1047 M 63 0 V 2754 0 R -63 0 V 600 1313 M 63 0 V 2754 0 R -63 0 V 600 1578 M 63 0 V 2754 0 R -63 0 V 600 1844 M 63 0 V 2754 0 R -63 0 V 600 2109 M 63 0 V 2754 0 R -63 0 V 600 251 M 0 63 V 0 1795 R 0 -63 V 1304 251 M 0 63 V 0 1795 R 0 -63 V 2008 251 M 0 63 V 0 1795 R 0 -63 V 2713 251 M 0 63 V 0 1795 R 0 -63 V 3417 251 M 0 63 V 0 1795 R 0 -63 V 600 251 M 2817 0 V 0 1858 V -2817 0 V 600 251 L LT0 600 1309 M 7 -18 V 7 -22 V 7 -26 V 7 -29 V 7 -33 V 7 -37 V 7 -39 V 7 -45 V 7 -50 V 7 -56 V 7 -61 V 8 -69 V 7 -66 V 7 -72 V 7 -41 V 7 -20 V 7 -56 V 7 -24 V 7 10 V 7 20 V 7 100 V 7 74 V 7 126 V 7 175 V 7 145 V 7 124 V 7 180 V 7 216 V 7 122 V 7 99 V 7 -11 V 7 -67 V 7 -119 V 7 -132 V 7 -141 V 8 -126 V 7 -69 V 7 -34 V 7 35 V 7 129 V 7 164 V 7 186 V 7 150 V 7 13 V 7 -133 V 7 -145 V 7 -164 V 7 -153 V 7 -135 V 7 -109 V 7 -111 V 7 -77 V 7 -15 V 7 17 V 7 32 V 7 49 V 7 66 V 7 110 V 8 106 V 7 85 V 7 123 V 7 125 V 7 99 V 7 81 V 7 18 V 7 -59 V 7 -126 V 7 -134 V 7 -159 V 7 -130 V 7 -90 V 7 -64 V 7 -26 V 7 10 V 7 45 V 7 56 V 7 32 V 7 -8 V 7 -27 V 7 -3 V 7 43 V 7 69 V 8 42 V 7 1 V 7 -6 V 7 25 V 7 62 V 7 73 V 7 56 V 7 42 V 7 44 V 7 63 V 7 81 V 7 81 V 7 50 V 7 -8 V 7 -69 V 7 -129 V 7 -152 V 7 -122 V 7 -100 V 7 -81 V 7 -36 V 7 -9 V 7 -58 V 8 -119 V 7 -108 V 7 -72 V 7 -9 V 7 54 V 7 89 V 7 112 V 7 125 V 7 120 V 7 79 V 7 21 V 7 -32 V 7 -40 V 7 -12 V 7 91 V 7 225 V 7 294 V 7 159 V 7 20 V 7 -58 V 7 -60 V 7 -66 V 7 -128 V 7 -177 V 8 -222 V 7 -238 V 7 -243 V 7 -212 V 7 -140 V 7 -29 V 7 98 V 7 193 V 7 235 V 7 240 V 7 170 V 7 105 V 7 11 V 7 -73 V 7 -79 V 7 -41 V 7 -9 V 7 -46 V 7 -88 V 7 -36 V 7 83 V 7 210 V 7 246 V 8 118 V 7 33 V 7 -14 V 7 -67 V 7 -147 V 7 -202 V 7 -200 V 7 -161 V 7 -101 V 7 -50 V 7 3 V 7 71 V 7 72 V 7 18 V 7 17 V 7 27 V 7 16 V 7 33 V 7 75 V 7 81 V 7 63 V 7 41 V 7 18 V 7 5 V 8 23 V 7 39 V 7 53 V 7 60 V 7 -7 V 7 -82 V 7 -95 V 7 -100 V 7 -101 V 7 -61 V 7 1 V 7 47 V 7 57 V 7 8 V 7 -59 V 7 -107 V 7 -79 V 7 28 V 7 74 V 7 29 V 7 25 V 7 47 V 7 35 V 7 28 V 8 30 V 7 30 V 7 28 V 7 25 V 7 18 V 7 15 V 7 14 V 7 9 V 7 -12 V 7 -48 V 7 -81 V 7 -82 V 7 -42 V 7 -3 V 7 23 V 7 42 V 7 40 V 7 17 V 7 -8 V 7 -43 V 7 -63 V 7 -28 V 7 22 V 8 19 V 7 -12 V 7 -13 V 7 2 V 7 19 V 7 38 V 7 42 V 7 43 V 7 52 V 7 55 V 7 38 V 7 10 V 7 -23 V 7 -70 V 7 -99 V 7 -64 V 7 -17 V 7 4 V 7 6 V 7 8 V 7 18 V 7 19 V 7 3 V 7 -4 V 8 3 V 7 0 V 7 -22 V 7 -20 V 7 0 V 7 7 V 7 14 V 7 23 V 7 14 V 7 7 V 7 15 V 7 27 V 7 19 V 7 -1 V 7 -11 V 7 -12 V 7 -7 V 7 -5 V 7 -17 V 7 -20 V 7 -10 V 7 -2 V 7 7 V 8 6 V 7 -12 V 7 -10 V 7 5 V 7 6 V 7 -5 V 7 -8 V 7 -2 V 7 -7 V 7 -2 V 7 10 V 7 13 V 7 21 V 7 20 V 7 8 V 7 5 V 7 -1 V 7 -16 V 7 -18 V 7 -5 V 7 9 V 7 11 V 7 9 V 7 4 V 8 -10 V 7 -16 V 7 -14 V 7 -10 V 7 -2 V 7 2 V 7 -2 V 7 -2 V 7 0 V 7 -1 V 7 4 V 7 4 V 7 2 V 7 7 V 7 12 V 7 10 V 7 4 V 7 1 V 7 -2 V 7 -3 V 7 0 V 7 -2 V 7 -6 V 8 -7 V 7 -4 V 7 0 V 7 5 V 7 6 V 7 0 V 7 -7 V 7 1 V 7 2 V 7 -4 V 7 -6 V 7 -4 V 7 -1 V 7 0 V 7 -3 V 7 -2 V 7 2 V 7 6 V 7 12 V 7 9 V 7 1 V 7 -2 V 7 -2 V 7 1 V 8 -1 V 7 -3 V 7 -3 V 7 -3 V 7 -2 V 7 1 V 7 -1 V 7 -1 V 7 3 V 7 3 V 7 -1 V 7 -4 V 7 -4 V 7 -3 V 7 -1 V 7 -1 V 7 1 V 7 2 V 7 4 V 7 5 V 7 3 V 7 0 V 7 -3 V 8 0 V 7 2 V 7 0 V 7 1 V 7 1 V 7 -1 V 7 0 V 7 1 V 7 -1 V 7 -2 V 7 -2 V 7 -3 V 7 -1 V 7 -1 V 7 2 V 7 1 V 7 0 V 7 -1 V 7 -1 V 7 -1 V 7 0 V 7 3 V 7 3 V 7 1 V 8 -2 V 7 -1 V 7 1 V 7 -1 V 7 1 V 7 2 V 7 0 V 7 1 V 7 1 V 7 0 V 7 0 V currentpoint stroke M 7 -1 V stroke grestore end showpage @endspecial 922 1864 a Fd(k)10 b Fc(\()976 1855 y(\027)976 1864 y(A)1013 1834 y Fb(\000)p Fa(1)1060 1864 y Fc(\))256 1332 y gsave currentpoint currentpoint translate 270 rotate neg exch neg exch translate 256 1332 a 143 1320 a Fd(\037)p Fc(\()p Fd(k)r Fc(\))e(\()266 1311 y(\027)266 1320 y(A)302 1290 y Fb(\000)p Fa(2)349 1320 y Fc(\))256 1332 y currentpoint grestore moveto 256 1332 a 1544 1777 a Fc(20.0)-379 b(15.0)f(10.0)-367 b(5.0)-355 b(0.0)327 961 y(0.2)327 1072 y(0.1)327 1183 y(0.1)327 1293 y(0.0)310 1404 y(-0.1)310 1514 y(-0.1)310 1625 y(-0.2)310 1735 y(-0.2)p eop end userdict /end-hook known{end-hook}if %%EndDocument @endspecial 196 x Fp(Figure)34 b(2:)48 b Fk(\037)p Fp(\()p Fk(k)s Fp(\))35 b(for)f(Cu)f(at)i(10K)f(\(solid\))f(found)g(b)m(y)h Fq(a)n(utobk)p Fp(,)g(using)e(the)i(simple)e(input)h(\014le)g(of)150 2317 y Fg(auto1.inp)150 2594 y Fh(6.2)112 b(F)-9 b(urther)38 b(Examples)150 2766 y Fp(The)33 b(ab)s(o)m(v)m(e)i(example)f(is)f(ab)s (out)g(all)g(there)h(is)f(to)h(running)d Fq(a)n(utobk)p Fp(.)50 b(Y)-8 b(ou)34 b(ma)m(y)g(w)m(an)m(t)h(to)f(add)g(a)150 2879 y(few)28 b(more)h(of)g(the)g(parameters)g(listed)e(in)h(c)m (hapter)h(3,)h(but)e(y)m(ou)h(really)e(shouldn't)g(need)h(to)s(o)i(man) m(y)150 2992 y(of)k(them)g(b)s(esides)e Ff(rbkg)h Fp(and)g Ff(E0)p Fp(.)51 b(In)33 b(an)m(y)h(case,)i(here)e(are)g(some)h(more)f (examples)f(with)g(the)h(Cu)150 3105 y(data,)c(sho)m(wing)e(ho)m(w)h (most)g(of)g(the)g(imp)s(ortan)m(t)g(k)m(eyw)m(ords)g(are)g(used.)39 b(This)28 b(one)h Fg(autobk.inp)d Fp(\014le)150 3218 y(\(named)i Fg(auto2.inp)d Fp(in)h(the)i Fq(uwxafs3.0)e Fp(distribution\))f(actually)i(has)g(3)h(di\013eren)m(t)f(bac)m (kground)150 3331 y(remo)m(v)-5 b(als)34 b(runs)e(in)h(it.)51 b(This)32 b(is)h(a)h(con)m(v)m(enien)m(t)h(w)m(a)m(y)g(to)f(test)h(the) f(result)f(of)h(c)m(hanging)g(particular)150 3443 y(parameters,)d(and)f (for)g(pro)s(cessing)f(man)m(y)h(scans)h(at)g(once.)198 3656 y Ff(\045------------------\045)185 b(autobk.inp)236 b(\045-------------------\045)198 3769 y(title)189 b(=)48 b(Cu)f(10K,)g(no)g(standard,)e(e0)i(set)g(to)g(8980.,)f(rbkg)h(=1.5)198 3882 y(data)237 b(=)48 b(cu10k.dat)904 b(\045)48 b(xmu)e(data)198 3995 y(output)141 b(=)48 b(ab-1.dat)198 4108 y(e0)333 b(=)48 b(8980.0)198 4221 y(rbkg)237 b(=)48 b(1.5)198 4333 y(--------------------)198 4446 y(title)189 b(=)48 b(Cu)f(50K,)g(w/)g(standard)198 4559 y(data)237 b(=)48 b(cu50k.dat)198 4672 y(output)141 b(=)48 b(ab-2.dat)198 4785 y(e0)333 b(=)48 b(8980.0)237 b(fixe0)46 b(=)i(true)237 b(\045)48 b(don't)e(fit)h(e0)198 4898 y(standard)e(=)j(cu-feff.chi)198 5011 y(fixamp)141 b(=)48 b(true)1144 b(\045)48 b(fix)e(amp)h(of)h (standard)198 5124 y(rbkg)237 b(=)48 b(1.5)428 b(kweight)94 b(=)47 b(0)198 5237 y(--------------------)198 5350 y(title)189 b(=)48 b(Cu)f(50K,)g(no)g(standard,)e(rbkg)i(=1.5,)f(kw)h(=)h(1)198 5463 y(data)237 b(=)48 b(cu50k.dat)904 b(\045)48 b(xmu)e(data)1830 5749 y Fp(17)p eop %%Page: 18 20 18 19 bop 198 191 a Ff(output)141 b(=)48 b(ab-3.dat)198 304 y(rbkg)237 b(=)48 b(1.5)428 b(kweight)94 b(=)47 b(1)198 417 y(\045------------------\045)42 b(end)47 b(of)g(autobk.inp)e (\045-------------------\045)291 629 y Fp(Please)c(pla)m(y)f(with)f (the)h(Cu)g(data)h(un)m(til)d(y)m(ou)j(ha)m(v)m(e)g(a)g(reasonably)f (go)s(o)s(d)g(feel)g(for)g(ho)m(w)h(the)150 742 y(parameters,)49 b(and)44 b(decide)g(what)g(y)m(ou)h(lik)m(e)f(b)s(est.)83 b(This)42 b(should)h(giv)m(e)i(y)m(ou)g(an)f(idea)g(of)h(what)150 855 y(kinds)27 b(of)h(inputs)f(are)i(needed)f(for)h Fq(a)n(utobk)p Fp(.)38 b(The)28 b(next)h(section)g(will)d(ha)m(v)m(e)k(some)f(more)f (concrete)150 968 y(suggestions.)150 1211 y Fh(6.3)112 b(Suggestions)150 1383 y Fp(Except)31 b(for)g Fk(E)664 1397 y Fj(0)734 1383 y Fp(and)g Fk(R)981 1398 y Fj(bkg)1128 1383 y Fp(,)h(I)e(strongly)h(suggest)g(using)f(the)h(program)g (defaults)f(for)g(the)h(n)m(umer-)150 1496 y(ical)g(parameters)i(of)f Fq(a)n(utobk)p Fp(.)44 b(Most)33 b(imp)s(ortan)m(tly)-8 b(,)32 b(do)g Fi(not)41 b Fp(use)32 b(the)h(same)f(F)-8 b(ourier)32 b(transform)150 1609 y(parameters)f(that)g(y)m(ou)f(w)m (ould)f(use)h(for)g(analysis)f(\(sa)m(y)-8 b(,)32 b(with)d Fq(feffit)p Fp(\).)40 b(The)30 b(hard)f(part)h(of)h(bac)m(k-)150 1722 y(ground)22 b(remo)m(v)-5 b(al)23 b(is)g(the)g(lo)m(w-)p Fi(k)33 b Fp(\(or)23 b(near-edge\))h(part)f(of)h(the)f(sp)s(ectrum.)37 b(Y)-8 b(ou)24 b(w)m(an)m(t)g(to)f(emphasize)150 1835 y(this)34 b(region,)i(b)m(y)g(using)d(a)j(small)e Fi(k)10 b Fp(-w)m(eigh)m(ting,)36 b(lik)m(e)f(1)g(\(the)h(default\))f(or)g(ma)m (yb)s(e)g(ev)m(en)h(0.)56 b(Also,)150 1948 y(turn)34 b(the)h(F)-8 b(ourier)34 b(Windo)m(ws)g(\\sills")f(o\013,)k(so)e(that)g Ff(dk)47 b(=)h(0)p Fp(.)53 b(Otherwise)34 b(the)h(endp)s(oin)m(ts)e(of) i(the)150 2061 y Fi(k)10 b Fp(-range)39 b(will)e(get)j(no)f(w)m(eigh)m (t)h(in)e(the)h(\014t)g(and)g Fk(\026)1907 2075 y Fj(0)1946 2061 y Fp(\()p Fk(E)5 b Fp(\))40 b(will)d(b)s(e)h(unstable)g(near)h (the)g(endp)s(oin)m(ts.)150 2173 y(Finally)-8 b(,)30 b(start)i(at)g(lo)m(w-)p Fi(k)10 b Fp(,)32 b(lik)m(e)e(0.00.)46 b(If)31 b(there)g(is)g(a)g(strong)h(white)e(line)g(y)m(ou'll)h (probably)e(need)i(to)150 2286 y(mo)m(v)m(e)i Fk(k)433 2300 y Fj(min)618 2286 y Fp(to)f(just)f(past)g(the)h(white)e(line,)h(b) s(ecause)g(the)h Fq(a)n(utobk)d Fp(bac)m(kground)j(w)m(on't)g(b)s(e)e (able)150 2399 y(to)h(follo)m(w)f(most)g(white)g(lines.)291 2512 y(The)f(v)-5 b(alue)28 b(of)h Fk(R)881 2527 y Fj(bkg)1055 2512 y Fp(is)f(the)h(most)h(imp)s(ortan)m(t)e(parameter,)i(and)e(the)h (hardest)f(to)i(pic)m(k.)40 b(Start)150 2625 y(with)d(1.0)519 2609 y(\027)519 2625 y(A)h(or)g(half)f(the)h(near-neigh)m(b)s(or)f (distance.)63 b(Y)-8 b(ou)39 b(ma)m(y)f(then)g(w)m(an)m(t)h(to)g (adjust)e(it)h(to)h(a)150 2738 y(v)-5 b(alue)37 b(where)48 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))38 b(is)f(a)h(small)e (fraction)h(of)h(the)g(maxim)m(um)e(of)i(the)49 b(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))38 b(for)f(the)h(\014rst)f(p)s(eak.) 150 2851 y(Remem)m(b)s(er)30 b(that)h(the)f(region)g(y)m(ou)h(use)f (for)g(bac)m(kground-remo)m(v)-5 b(al)30 b(cannot)h(b)s(e)f(used)f(in)g (analysis.)150 2964 y(In)k(fact)i(the)f(analysis)f(of)h(the)g(\014rst)f (shell)f(should)g(b)s(egin)h(on)g(the)i(next)f(indep)s(enden)m(t)d (data)k(p)s(oin)m(t)150 3077 y(after)f Fk(R)437 3092 y Fj(bkg)588 3077 y Fp(,)h(namely)e Fk(R)1036 3092 y Fj(bkg)1175 3077 y Fp(+)22 b Fk(\031)s(=)p Fp(\001)p Fk(k)s Fp(,)35 b(where)e(\001)p Fk(k)k Fp(is)c(the)h Fi(k)10 b Fp(-range)34 b(of)g(the)g(data.)51 b(Don't)35 b(go)f(to)s(o)150 3190 y(far)c(in)m(to)h(the)f(\014rst)g(shell)f(or)h (y)m(ou)h(w)m(on't)g(ha)m(v)m(e)h(an)m(y)f(data)g(to)g(analyze!)42 b(A)30 b(summary)g(of)g(suggested)150 3303 y(ranges)h(for)f(the)g(most) h(sensitiv)m(e)f(parameters)g(in)f Fq(a)n(utobk)g Fp(is)h(giv)m(en)g (in)f(T)-8 b(able)30 b(3.)476 3566 y(T)-8 b(able)30 b(3:)41 b(Suggested)31 b(v)-5 b(alues)29 b(for)h(a)h(few)f(imp)s(ortan)m(t)g (parameters)h(in)e Fq(a)n(utobk)p Fp(.)p 391 3695 2968 4 v 391 3808 4 113 v 444 3774 a Ff(Keyword)p 828 3808 V 101 w Fp(Suggested)i(Range)g(of)g(V)-8 b(alues)p 1997 3808 V 103 w(Notes)p 3355 3808 V 391 3811 2968 4 v 391 3924 4 113 v 444 3890 a Ff(Kmin)p 828 3924 V 245 w Fp(0.00)32 b(-)f(0.20)p 1997 3924 V 756 w(unless)e(there)h(is)f(a)i(\\white)f (line")p 3355 3924 V 391 3927 2968 4 v 391 4040 4 113 v 444 4006 a Ff(Kweight)p 828 4040 V 101 w Fp(0)h(or)g(1)p 1997 4040 V 936 w(3)g(is)e(probably)g(to)s(o)i(big)p 3355 4040 V 391 4044 2968 4 v 391 4157 4 113 v 444 4123 a Ff(Dk)p 828 4157 V 341 w Fp(0)p 1997 4157 V 1124 w(not)f(bigger)g (than)h(1.)p 3355 4157 V 391 4160 2968 4 v 391 4273 4 113 v 444 4239 a Ff(Rbkg)p 828 4273 V 245 w Fp(1.0)h(or)e(half)g Fk(R)1388 4253 y Fa(nn)p 1997 4273 V 2050 4239 a Fp(k)m(eep)51 b Fo(j)11 b Fp(~)-56 b Fk(\037)p Fp(\()p Fk(R)2463 4254 y Fj(bkg)2580 4239 y Fp(\))p Fo(j)26 b(\034)41 b Fp(max)p Fo(fj)11 b Fp(~)-56 b Fk(\037)p Fp(\()p Fk(R)q Fp(\))p Fo(jg)p 3355 4273 V 391 4276 2968 4 v 1830 5749 a Fp(18)p eop %%Page: 19 21 19 20 bop 150 191 a Fm(References)195 394 y Fp([1])47 b(M.)31 b(Newville)d Fi(et)33 b(al.)p Fp(,)e(Ph)m(ysical)e(Review)h(B)h Fl(47)p Fp(,)g(14126)i(\(1993\).)195 582 y([2])47 b(E.)40 b(A.)h(Stern)e(and)h(S.)g(M.)g(Heald,)j(in)c Fi(Handb)-5 b(o)g(ok)43 b(of)f(Synchr)-5 b(otr)g(on)45 b(R)-5 b(adiation)p Fp(,)45 b(edited)40 b(b)m(y)337 694 y(E.)30 b(E.)h(Ko)s(c)m(h)f (\(North-Holland,)g(New)h(Y)-8 b(ork,)31 b(1983\),)h(Chap.)e(10,)i(pp.) d(995{1014.)195 882 y([3])47 b(T.)26 b(M.)h(Ha)m(y)m(es)h(and)e(J.)g (B.)h(Bo)m(yce,)i(in)c Fi(Solid)30 b(State)g(Physics)p Fp(,)d(V)-8 b(ol.)27 b(37)g(of)g Fi(Solid)j(State)f(Physics)p Fp(,)337 995 y(edited)36 b(b)m(y)h(H.)g(Ehrenreic)m(h,)g(F.)g(Seitz,)i (and)d(D.)h(T)-8 b(urn)m(bull)34 b(\(Academic)j(Press,)h(New)f(Y)-8 b(ork,)337 1108 y(1982\),)33 b(pp.)c(173{351.)195 1296 y([4])47 b(D.)32 b(E.)g(Sa)m(y)m(ers)g(and)f(B.)h(Bunk)m(er,)g(in)e Fi(X-r)-5 b(ay)34 b(A)n(bsorption:)45 b(Principles,)34 b(Applic)-5 b(ations,)36 b(T)-7 b(e)i(ch-)337 1408 y(niques)30 b(of)h(EXAFS,)f(SEXAFS,)g(and)i(XANES)p Fp(,)27 b(V)-8 b(ol.)29 b(92)g(of)g Fi(Chemic)-5 b(al)32 b(A)n(nalysis)p Fp(,)d(edited)f(b)m(y)337 1521 y(D.)f(C.)g(Koningsb)s(erger)e(and)h(R.) h(Prins)e(\(John)h(Wiley)g(&)h(Sons,)g(New)g(Y)-8 b(ork,)28 b(1988\),)i(Chap.)c(6,)337 1634 y(p.)k(211.)195 1822 y([5])47 b(E.)30 b(A.)h(Stern,)f(P)-8 b(.)31 b(L)-10 b(\026)-35 b(\020vi)5 b(\030)-45 b(n)-5 b(\024)-41 b(s,)29 b(and)h(Z.)g(Zhang,)g(Ph)m(ysical)f(Review)h(B)h Fl(43)p Fp(,)g(8850)h(\(1991\).)195 2009 y([6])47 b(J.)30 b(W.)h(C.)f(Jr.)g (and)g(D.)h(E.)f(Sa)m(y)m(ers,)i(Journal)d(of)h(Applied)e(Ph)m(ysics)h Fl(52)p Fp(,)j(5924)g(\(1981\).)195 2197 y([7])47 b(G.)31 b(Li,)e(F.)i(Bridges,)f(and)g(G.)h(S.)f(Bro)m(wn,)h(Ph)m(ysical)e (Review)h(Letters)h Fl(68)p Fp(,)g(1609)h(\(1992\).)195 2385 y([8])47 b(J.)37 b(J.)h(Rehr,)h(C.)f(H.)g(Bo)s(oth,)i(F.)f (Bridges,)g(and)e(S.)g(I.)h(Zabinsky)-8 b(,)38 b(Ph)m(ysical)f(Review)g (B)h Fl(49)p Fp(,)337 2498 y(12347)32 b(\(1994\).)195 2685 y([9])47 b(The)38 b Fq(uwxafs3.0)h Fp(analysis)e(pac)m(k)-5 b(age)41 b(is)d(cop)m(yrigh)m(ted)i(b)m(y)f(and)f(a)m(v)-5 b(ailable)39 b(from)f(the)i(Uni-)337 2798 y(v)m(ersit)m(y)29 b(of)h(W)-8 b(ashington.)29 b(F)-8 b(or)30 b(more)f(details,)g(see)g(h) m(ttp://krazy)-8 b(.ph)m(ys.w)m(ashington.edu/)31 b(or)337 2911 y(con)m(tact)i(the)d(authors.)150 3099 y([10])47 b(M.)34 b(Newville,)f(Data)i(\014les)e(in)f(the)i Fq(uwxafs)e Fp(Analysis)f(P)m(ac)m(k)-5 b(age,)38 b(unpublished,)30 b(1994,)36 b(this)337 3212 y(do)s(cumen)m(tation)30 b(is)f(part)i(of)f (the)h Fq(uwxafs3.0)e Fp(pac)m(k)-5 b(age.)150 3399 y([11])47 b(M.)38 b(Newville,)g(F)-8 b(ourier)38 b(T)-8 b(ransforms)36 b(in)h(the)h Fq(uwxafs)e Fp(Analysis)g(P)m(ac)m(k)-5 b(age,)42 b(unpublished,)337 3512 y(1994,)32 b(this)e(do)s(cumen)m (tation)g(is)f(part)h(of)h(the)f Fq(uwxafs3.0)g Fp(pac)m(k)-5 b(age.)150 3700 y([12])47 b(C.)30 b(deBo)s(or,)h Fi(A)h(pr)-5 b(actic)g(al)35 b(guide)d(to)h(splines)f Fp(\(Springer-V)-8 b(erlag,)29 b(New)i(Y)-8 b(ork,)31 b(1978\).)150 3887 y([13])47 b(L.)30 b(Brillouin,)d Fi(Scienc)-5 b(e)33 b(and)g(Information)i(The)-5 b(ory)32 b Fp(\(Academic)f(Press,)f(New)h (Y)-8 b(ork,)31 b(1962\).)150 4075 y([14])47 b(E.)30 b(A.)h(Stern,)f(Ph)m(ysical)f(Review)h(B)h Fl(48)p Fp(,)g(9825)h (\(1993\).)150 4263 y([15])47 b(W.)39 b(H.)g(Press,)i(S.)d(A.)h(T)-8 b(euk)m(olsky)g(,)41 b(W.)e(T.)g(V)-8 b(etterling,)41 b(and)d(B.)h(P)-8 b(.)39 b(Flannery)-8 b(,)40 b Fi(Numeric)-5 b(al)337 4376 y(R)g(e)g(cip)g(es)34 b(in)e(F)n(OR)-7 b(TRAN)p Fp(,)30 b(2nd)g(ed.)h(\(Cam)m(bridge)e(Univ)m(ersit)m(y)h (Press,)g(Cam)m(bridge,)g(1992\).)150 4563 y([16])47 b(P)-8 b(.)44 b(R.)h(Bevington,)j Fi(Data)e(R)-5 b(e)g(duction)47 b(and)f(Err)-5 b(or)47 b(A)n(nalysis)e(for)h(the)g(Physic)-5 b(al)46 b(Scienc)-5 b(es)337 4676 y Fp(\(McGra)m(w-Hill,)30 b(New)h(Y)-8 b(ork,)31 b(1969\).)150 4864 y([17])47 b(B.)31 b(Ra)m(v)m(el,)g Fq(a)-6 b(toms)p Fp(:)40 b(Crystallograph)m(y)29 b(and)h(XAFS,)g(unpublished,)c(1994.)150 5051 y([18])47 b(S.)30 b(I.)g(Zabinsky)f Fi(et)j(al.)p Fp(,)f(Ph)m(ysical)f(Review)g (B)g Fl(52)p Fp(,)h(2995)i(\(1995\).)1830 5749 y(19)p eop %%Page: 20 22 20 21 bop 150 320 a Fm(Index)150 501 y Fk(\037)30 b Fp(de\014nition,)e (1)150 614 y(\001)p Fk(\026)281 628 y Fj(0)320 614 y Fp(\()p Fk(E)422 628 y Fj(0)462 614 y Fp(\),)j(10)150 727 y Fk(E)217 741 y Fj(0)257 727 y Fp(,)f(10)150 840 y Fi(k)40 b Fp(de\014nition,)28 b(1)150 953 y Fg(autobk.inp)p Fp(,)g(5)150 1066 y Ff(*)p Fp(,)i(5)150 1178 y Ff(----)p Fp(,)f(5)150 1291 y Ff(Allout)p Fp(,)g(6)150 1404 y Ff(Bkgksp)p Fp(,)g(6)150 1517 y Ff(Bkgout)p Fp(,)g(6)150 1630 y Ff(Data)p Fp(,)g(6)150 1743 y Ff(Datrsp)p Fp(,)g(6)150 1856 y Ff(Dk1)p Fp(,)h(8)150 1969 y Ff(Dk2)p Fp(,)g(8)150 2082 y Ff(Dk)p Fp(,)g(8,)h(18)150 2195 y Ff(E0)p Fp(,)f(7)150 2308 y Ff(Edge)p Fp(,)f(7)150 2420 y Ff(Emax)p Fp(,)g(7)150 2533 y Ff(Emin)p Fp(,)g(7)150 2646 y Ff(Fixamp)p Fp(,)g(6)150 2759 y Ff(Fixe0)p Fp(,)g(6,)i(10)150 2872 y Ff(Format)p Fp(,)e(6)150 2985 y Ff(Formin)p Fp(,)g(5)150 3098 y Ff(Formout)p Fp(,)g(6)150 3211 y Ff(Iwindo)p Fp(,)g(8)150 3324 y Ff(Kmax)p Fp(,)g(8)150 3437 y Ff(Kmin)p Fp(,)g(7,)i(18)150 3550 y Ff(Kweight)p Fp(,)e(8,)i(18)150 3662 y Ff(Nor1)p Fp(,)e(7,)i(10)150 3775 y Ff(Nor2)p Fp(,)e(7,)i(10)150 3888 y Ff(Out)p Fp(,)f(6)150 4001 y Ff(Pre1)p Fp(,)f(7,)i(10)150 4114 y Ff(Pre2)p Fp(,)e(10)150 4227 y Ff(R1st)p Fp(,)g(7)150 4340 y Ff(Rbkg)p Fp(,)g(7,)i(18)150 4453 y Ff(Step)p Fp(,)e(10)150 4566 y Ff(Theksp)p Fp(,)g(6)150 4679 y Ff(Theory)p Fp(,)g(6)150 4792 y Ff(Thersp)p Fp(,)g(6)150 4904 y Ff(Title)p Fp(,)g(5)150 5017 y Ff(#)p Fp(,)h(5)150 5130 y Ff(\045)p Fp(,)g(5)316 5243 y(,)h(5)150 5439 y(Files,)f(3)2020 501 y(Files,)2186 614 y(Output,)g(3)2020 727 y(Files,)g(Data,)i(3)2020 840 y(Files,)e(Input,)f(3)2020 953 y(Files,)h(Names)h(of)f(Output)g (Files,)f(4)2020 1149 y(Information)h(Theory)-8 b(,)30 b(11)2020 1261 y(In)m(tro)s(duction,)g(1)2020 1457 y(k)m(eyw)m(ords,)h (5)2020 1570 y(knots,)g(11)2020 1766 y(Normalization,)f(10)2020 1962 y(Pre-Edge,)h(10)2020 2158 y(splines,)d(11)2020 2271 y(Suggested)j(V)-8 b(alues,)31 b(18)1830 5749 y(20)p eop %%Trailer end userdict /end-hook known{end-hook}if %%EOF debian/feffit.10000644000000000000000000000106111353423664010520 0ustar .TH FEFFIT 1 "January 10, 2004" "V2.98" "IFEFFIT Suite" .SH NAME feffit \- program for analysis of XAFS data .SH SYNOPSIS .B feffit .SH DESCRIPTION .B feffit is a command line program which belongs to the IFEFFIT XAFS data analysis suite and is generally invoked from one of the interactive user interfaces, ifeffit or gifeffit. .PP Program documentation in PDF format may be found in /usr/share/doc/ifeffit/pdf/feffit.pdf. .SH AUTHOR This manual page was written by Carlo Segre , for the Debian GNU/Linux system (but may be used by others). debian/diffkk.10000644000000000000000000000075111353423664010520 0ustar .TH DIFFKK 1 "January 10, 2004" "V1.3" "IFEFFIT Suite" .SH NAME diffkk \- anomalous scattering factor calculation from XAFS spectra .SH SYNOPSIS .B diffkk .SH DESCRIPTION .B diffkk is a command line program which belongs to the IFEFFIT XAFS data analysis suite. Program documentation in PDF format may be found in /usr/share/doc/ifeffit/pdf/diffkk.pdf. .SH AUTHOR This manual page was written by Carlo Segre , for the Debian GNU/Linux system (but may be used by others). debian/ifeffit.10000644000000000000000000000416011353423664010674 0ustar .TH IFEFFIT 1 "March 4, 2003" "V1.2" "IFEFFIT Suite" .SH NAME ifeffit \- an interactive program for XAFS analysis .SH SYNOPSIS .B ifeffit .RI [ options ] " files" ... .SH DESCRIPTION This manual page documents briefly the .B ifeffit command. This manual page was written for the Debian distribution because the original program does not have a manual page. Instead, it has documentation in the GNU Info format; see below. .PP .\" TeX users may be more comfortable with the \fB\fP and .\" \fI\fP escape sequences to invode bold face and italics, .\" respectively. \fBifeffit\fP is an interactive program for XAFS analysis. It combines the high-quality analysis algorithms of AUTOBK and FEFFIT with graphical display of XAFS data and general data manipulation. .B ifeffit comes as a command-line program, but the underlying functionality is available as a programming library. The IFEFFIT library can be used from C, Fortran, Tcl, Perl, and Python. This allows a variety of user interfaces (both graphical and non-graphical) to be written around IFEFFIT. Currently, two graphical user interfaces: one called G.I.FEFFIT, and one called ATHENA are built on the underlying IFEFFIT library. IFEFFIT and both GUIs are under active development, but are fairly well tested and ready for use. .SH OPTIONS These programs follow the usual GNU command line syntax, with long options starting with two dashes (`-'). A summary of options is included below. For a complete description, see the Info files. .TP .B \-h, \-\-help Show summary of options. .TP .B \-x Exit after running script files. .TP .B \-q Run quietly, with no screen output. .TP .B \-n Disable 'Ifeffit>' prompt. .TP .B \-i Show installation directory and exit. .TP .B \-v, \-\-version Show version of program. .SH SEE ALSO .BR autobk (1), feffit (1), feff6 (1), ifeffit (3) .br The reference manual and a tutorial in PDF form can be found in: .PP /usr/share/doc/ifeffit/pdf/ifeffit_tutorial.pdf .PP /usr/share/doc/ifeffit/pdf/ifeffit_reference.pdf .SH AUTHOR This manual page was written by Carlo Segre , for the Debian GNU/Linux system (but may be used by others). debian/ifeffit-doc.dirs0000644000000000000000000000003211353423664012232 0ustar usr/share/doc/ifeffit-doc debian/libifeffit-perl.docs0000644000000000000000000000012211353423664013105 0ustar wrappers/perl/README wrappers/perl/dot.ifeffitrc wrappers/perl/dot.ifeffit_macros debian/patches/0000755000000000000000000000000011662632242010621 5ustar debian/patches/series0000644000000000000000000000011411353462443012033 0ustar configuration_patches fortran_patches wrapper_patches documentation_patches debian/patches/fortran_patches0000644000000000000000000000307411353516305013730 0ustar Description: Patches to the FORTRAN source . * Enable FEFF to calculate chi * Modify array dimensioning for increased capacity . Author: Carlo Segre --- ifeffit-1.2.11d.orig/src/feff6/feff.f +++ ifeffit-1.2.11d/src/feff6/feff.f @@ -117,11 +117,11 @@ c Dump out fbetac for central ato call genfmt (ipr3, critcw, sig2g, iorder) endif -c if (mchi .eq. 1) then -c call echo('Calculating chi...') -c call ff2chi (ipr4, critcw, s02, tk, thetad, icsig, -c 1 vrcorr, vicorr) -c endif + if (mchi .eq. 1) then + call echo('Calculating chi...') + call ff2chi (ipr4, critcw, s02, tk, thetad, icsig, + 1 vrcorr, vicorr) + endif call echo('Feff done. Have a nice day.') end --- ifeffit-1.2.11d.orig/src/lib/iff_show.f +++ ifeffit-1.2.11d/src/lib/iff_show.f @@ -431,8 +431,8 @@ c character*(*) s, t , messg*256 integer k, j, istrln external istrln - k = max(13, istrln(s)) - j = max(2, istrln(t)) + k = min(max(13, istrln(s)),256) + j = min(max(2, istrln(t)), 252-k) write(messg,11) s(1:k), ' = ', t(1:j) call echo(messg) 11 format('$',3a) @@ -443,8 +443,8 @@ c character*(*) s, t , messg*256 integer k, j, istrln external istrln - k = max(14, istrln(s)) - j = max(2, istrln(t)) + k = min(max(14, istrln(s)), 256) + j = min(max(2, istrln(t)), 253-k) write(messg,11) s(1:k), ': ', t(1:j) call echo(messg) 11 format (3a) debian/patches/configuration_patches0000644000000000000000000000651511662632242015131 0ustar Description: Enable correct configuration of the package for Debian. . * Use Debian version of readline * Use libtools * Use Debian installed version of pgplot5 . Author: Carlo Segre --- a/configure.in +++ b/configure.in @@ -13,13 +13,16 @@ AC_ISC_POSIX AC_HEADER_STDC -AC_PROG_RANLIB +# change for Debian (CUS) +#AC_PROG_RANLIB +AC_PROG_LIBTOOL AC_INCLUDES_DEFAULT AC_PATH_PROGS(PERL, perl perl5 perl5.8 perl5.6 perl5.005, NO_PERL ) AC_PATH_PROGS(PYTHON, python python2 python2.5 python2.4 python2.3 python2.2 python2.1, NO_PYTHON) -AC_CONFIG_SUBDIRS(readline) +# use Debian version of readline (CUS) +#AC_CONFIG_SUBDIRS(readline) ################################ FCLIST='gfortran g77 g95 f77 f90 xlf' --- a/Makefile.in +++ b/Makefile.in @@ -82,7 +82,7 @@ canonical_host_type = @canonical_host_type@ EXTRA_DIST = reconf configure -SUBDIRS = readline src +SUBDIRS = src ACLOCAL_M4 = $(top_srcdir)/aclocal.m4 mkinstalldirs = $(SHELL) $(top_srcdir)/mkinstalldirs CONFIG_HEADER = config.h --- a/iconf_pgplot +++ b/iconf_pgplot @@ -22,7 +22,7 @@ for d in $pgdirs; do if [ -d $d ] ; then if [ -f $d/grfont.dat ] ; then basedir=$d ; fi - if [ -f $d/libpgplot_iff.a ] ; then libdir=$d ; fi + if [ -f $d/libpgplot.a ] ; then libdir=$d ; fi fi done @@ -59,7 +59,7 @@ # echo 'out: ', $out else if [ -f $ffile ] ; then - out="-L$libdir -lpgplot_iff" + out="-L$libdir -lpgplot" grep " CALL PNDRIV" $ffile >/dev/null 2>&1; if [ $? ] ; then out="$out -lpng -lz" ; fi grep " CALL XWDRIV" $ffile >/dev/null 2>&1; --- a/configure +++ b/configure @@ -310,7 +310,8 @@ # include #endif" -ac_subdirs_all="$ac_subdirs_all readline" +# Don't compile our own readline, use the Debian package instead (CUS) +#ac_subdirs_all="$ac_subdirs_all readline" ac_subst_vars='SHELL PATH_SEPARATOR PACKAGE_NAME PACKAGE_TARNAME PACKAGE_VERSION PACKAGE_STRING PACKAGE_BUGREPORT exec_prefix prefix program_transform_name bindir sbindir libexecdir datadir sysconfdir sharedstatedir localstatedir libdir includedir oldincludedir infodir mandir build_alias host_alias target_alias DEFS ECHO_C ECHO_N ECHO_T LIBS INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA CYGPATH_W PACKAGE VERSION ACLOCAL AUTOCONF AUTOMAKE AUTOHEADER MAKEINFO install_sh STRIP ac_ct_STRIP INSTALL_STRIP_PROGRAM mkdir_p AWK SET_MAKE am__leading_dot AMTAR am__tar am__untar CC CFLAGS LDFLAGS CPPFLAGS ac_ct_CC EXEEXT OBJEXT DEPDIR am__include am__quote AMDEP_TRUE AMDEP_FALSE AMDEPBACKSLASH CCDEPMODE am__fastdepCC_TRUE am__fastdepCC_FALSE CPP EGREP RANLIB ac_ct_RANLIB PERL PYTHON subdirs F77 FFLAGS ac_ct_F77 FLIBS TERMCAP_LIB ARRSIZE MN_FLIBS use_pgplot PGPLOT_LIBS pgdir LIBOBJS LTLIBOBJS' ac_subst_files='' @@ -3446,8 +3447,8 @@ - -subdirs="$subdirs readline" +# Don't use our readline, use the Debian package instead +#subdirs="$subdirs readline" ################################ --- a/src/cmdline/Makefile.in +++ b/src/cmdline/Makefile.in @@ -87,7 +87,7 @@ bin_PROGRAMS = ifeffit ifeffit_SOURCES = iff_shell.c ifeffit.h commands.h # readline_LIB = -L$(top_srcdir)/readline -lreadline $(TERMCAP_LIB) -readline_LIB = $(top_srcdir)/readline/libreadline.a $(TERMCAP_LIB) +readline_LIB = -lreadline $(TERMCAP_LIB) ### -ltermcap ifeffit_LDADD = ../lib/libifeffit.a $(PGPLOT_LIBS) $(readline_LIB) $(MN_FLIBS) debian/patches/wrapper_patches0000644000000000000000000001777111353517371013752 0ustar Description: Debianize the wrapper scripts and linking to ifeffit . Author: Carlo Segre --- ifeffit-1.2.11d.orig/wrappers/python/Ifeffit.py +++ ifeffit-1.2.11d/wrappers/python/Ifeffit.py @@ -1,4 +1,4 @@ -#!/usr/bin/python +##!/usr/bin/python """ Python interface to the IFEFFIT XAFS Analysis library --- ifeffit-1.2.11d.orig/wrappers/python/TkIfeffit.py +++ ifeffit-1.2.11d/wrappers/python/TkIfeffit.py @@ -1,4 +1,4 @@ -#!/usr/bin/python +##!/usr/bin/python ###!/usr/bin/python ## ## TkIfeffit: Tk widgets for GIFEFFIT --- ifeffit-1.2.11d.orig/wrappers/python/GIFeffit.py +++ ifeffit-1.2.11d/wrappers/python/GIFeffit.py @@ -1,4 +1,4 @@ -#!/usr/bin/python +##!/usr/bin/python ## ## GIFEFFIT: Graphical User Interface to the IFEFFIT XAFS Analysis Library ## --- ifeffit-1.2.11d.orig/wrappers/python/setup.py +++ ifeffit-1.2.11d/wrappers/python/setup.py @@ -19,59 +19,65 @@ if (float(pyvers) < 1.5): print "Error: python is too old" sys.exit(1) -try: - import distutils - from distutils.core import setup, Extension -except: - print "Error: Python distutils not found." - print " please upgrade python or install the distutils module." - sys.exit(1) - -python = sys.executable -pkg_site= sys.prefix -pkg_site= os.path.join(pkg_site, 'lib') -pkg_site= os.path.join(pkg_site, 'python' + pyvers) -pkg_site= os.path.join(pkg_site, 'site-packages') - +# Don't need to check for DistUtils, TkInter and Pmw in Debian. +# Also don't need to delete old installation since it is done +# automagically by Debian packaging maintenance (CUS) +import distutils +from distutils.core import setup, Extension + +#try: +# import distutils +# from distutils.core import setup, Extension +#except: +# print "Error: Python distutils not found." +# print " please upgrade python or install the distutils module." +# sys.exit(1) +# +#python = sys.executable +#pkg_site= sys.prefix +#pkg_site= os.path.join(pkg_site, 'lib') +#pkg_site= os.path.join(pkg_site, 'python' + pyvers) +#pkg_site= os.path.join(pkg_site, 'site-packages') +# # # test Tkinter and Pmw installation - -try: - import Tkinter - print "Tkinter is installed. " -except ImportError: - print " " - print " ===== WARNING WARNING WARNING =====" - print " Tkinter is NOT installed, or was not found" - print " G.I.FEFFIT will not work." - print " " - +# +#try: +# import Tkinter +# print "Tkinter is installed. " +#except ImportError: +# print " " +# print " ===== WARNING WARNING WARNING =====" +# print " Tkinter is NOT installed, or was not found" +# print " G.I.FEFFIT will not work." +# print " " +# #PMW -installPMW = 1 -try: - import Pmw - version = Pmw._version - if (version == '1.2') : - installPMW = 0 - print "Pmw %s is installed. " % version -except ImportError: - pass - -if ((installPMW == 1) and (setup_arg == 'install')): - pmw_dir = os.path.join(pkg_site, 'Pmw') - print " Installing Pmw 1.2 to %s " % pmw_dir - os.system('gunzip -c Pmw.1.2.tar.gz | tar xvf -') - os.system("cp -pr Pmw %s " % pkg_site) - os.system("cp Pmw.pth %s" % os.path.join(pkg_site,'Pmw.pth')) - import compileall - compileall.compile_dir(pmw_dir) - +#installPMW = 1 +#try: +# import Pmw +# version = Pmw._version +# if (version == '1.2') : +# installPMW = 0 +# print "Pmw %s is installed. " % version +#except ImportError: +# pass +# +#if ((installPMW == 1) and (setup_arg == 'install')): +# pmw_dir = os.path.join(pkg_site, 'Pmw') +# print " Installing Pmw 1.2 to %s " % pmw_dir +# os.system('gunzip -c Pmw.1.2.tar.gz | tar xvf -') +# os.system("cp -pr Pmw %s " % pkg_site) +# os.system("cp Pmw.pth %s" % os.path.join(pkg_site,'Pmw.pth')) +# import compileall +# compileall.compile_dir(pmw_dir) +# # remove any old Ifeffit.py installations -if (setup_arg == 'install'): - old_files = ('ifeffitc.so', 'Ifeffit.py', 'Ifeffit.pyc', 'GIFeffit.py', - 'GIFeffit.pyc', 'TkIfeffit.py', 'TkIfeffit.pyc') - for i in old_files: - os.system("rm -f %s/%s" % (pkg_site,i)) +#if (setup_arg == 'install'): +# old_files = ('ifeffitc.so', 'Ifeffit.py', 'Ifeffit.pyc', 'GIFeffit.py', +# 'GIFeffit.pyc', 'TkIfeffit.py', 'TkIfeffit.pyc') +# for i in old_files: +# os.system("rm -f %s/%s" % (pkg_site,i)) @@ -114,7 +120,8 @@ setup (name = "Ifeffit", libraries = libdat['-l'], library_dirs = libdat['-L'])], py_modules = ['Ifeffit','TkIfeffit','DataPlotter','GIFeffit'], - data_files = [(bin_dir, ['gifeffit'])] ) +# data_files = [(bin_dir, ['gifeffit'])] + scripts = ['gifeffit'] ) try: f = open('iff_py_made','w') --- ifeffit-1.2.11d.orig/wrappers/perl/Ifeffit.pm +++ ifeffit-1.2.11d/wrappers/perl/Ifeffit.pm @@ -6,12 +6,12 @@ require DynaLoader; @EXPORT_OK = qw(get_scalar put_scalar get_string put_string get_array put_array get_echo); -$VERSION = '1.3'; +$VERSION = '1.301'; bootstrap Ifeffit $VERSION; my $MAX_ARRAY_PTS = 16384; sub ifeffit ($) { - my @com = split(/\n/, $_[0]); + my @com = split(/\n/, $_[0]); my ($c, $ret) ; foreach $c (@com) {$ret = Ifeffit::iff_exec($c); }; return $ret; @@ -27,7 +27,7 @@ sub get_scalar ($) { return $val; } -sub put_scalar ($$) { +sub put_scalar ($$) { return (ifeffit("set $_[0] = $_[1]")) ? undef: $_[1]; } @@ -40,10 +40,12 @@ sub get_string ($) { sub put_string ($$) { my $inp = $_[0]; $inp = "\$".$inp unless ($inp =~ /^(\$)/o); - return ifeffit("set $inp = $_[1]"); + my $str = $_[1]; + $str = "\"" . $str . "\"" unless ($str =~ /^\".*\"$/); + return ifeffit("set $inp = $str"); } -sub get_array ($) { # note the use of MAX_ARRAY_PTS !!! +sub get_array ($) { # note the use of MAX_ARRAY_PTS !!! my ($ptr,$npts,$i); my @arr = (); $ptr = new_Parr($MAX_ARRAY_PTS); @@ -55,15 +57,15 @@ sub get_array ($) { # note the use of M return @arr; } -sub put_array ($$) { +sub put_array ($$) { my $npts = $#{$_[1]} + 1; my ($i,$x,$p_n,$ret,$ptr); - if ($npts gt $MAX_ARRAY_PTS) { $npts = $MAX_ARRAY_PTS;} + if ($npts > $MAX_ARRAY_PTS) { $npts = $MAX_ARRAY_PTS;} $ptr = new_Parr($npts); for ($i = 0; $i < $npts; $i++) { Parr_setitem($ptr, $i, ${$_[1]}[$i]); } $p_n = new_Pint(); Pint_assign($p_n, $npts); - $ret = Ifeffit::iff_put_array($_[0], $p_n, $ptr); + $ret = Ifeffit::iff_put_array($_[0], $p_n, $ptr); delete_Pint($p_n); delete_Parr($ptr); return $ret; @@ -187,7 +189,22 @@ This gets the values of an ifeffit array C<@array = get_array("my.array");> which will fill the perl array B<@array> with the ifeffit array -I. +I. + +=head1 REVISION HISTORY + +=over 4 + +=item 1.3 + +Begin distributing with horae package. + +=item 1.3 (1) + +Force enclosure of string by double quotes in the put_string function. +(Bruce Ravel 18 Feb. 2003) + +=back =head1 AUTHOR @@ -201,5 +218,3 @@ PGPERL, PDL, GNU ReadLine Library =cut - - --- ifeffit-1.2.11d.orig/src/lib/sys.h +++ ifeffit-1.2.11d/src/lib/sys.h @@ -1,7 +1,7 @@ c{sys.h -*-fortran-*- c system and build specific stuff goes here c to be included in iff_config.f - sysdir = '/usr/local/share/ifeffit' + sysdir = '/usr/share/ifeffit' pgdev = '/xserve' inifile= 'startup.iff .ifeffit' build = '1.2.11d'// --- ifeffit-1.2.11d.orig/src/lib/Makefile.in +++ ifeffit-1.2.11d/src/lib/Makefile.in @@ -542,7 +542,7 @@ site_install.py: Config.mak @echo '# and may need some modifications.' >> $@ @echo '# ' >> $@ @echo 'bin_dir="$(bindir)"' > $@ - @echo 'lib_iff="-L$(prefix)/lib -lifeffit "' >> $@ + @echo 'lib_iff="-L../../src/lib -lifeffit "' >> $@ @echo 'lib_plt="$(PGPLOT_LIBS)"' >> $@ @echo 'lib_f77="$(MN_FLIBS) "' >> $@ @echo 'inc_iff="-I../../src/lib -I$(pkgdatadir)/config"' >> $@ debian/patches/documentation_patches0000644000000000000000000001474411353516751015141 0ustar Description: Remove ifpdf definition in documentation This patch is required for squeeze as the pdflatex package already defines the ifpdf variable and consequently latex fails on compilation of the docuementation. . Author: Carlo Segre --- ifeffit-1.2.11d.orig/doc/Tutorial/ifmacs_ps.tex +++ ifeffit-1.2.11d/doc/Tutorial/ifmacs_ps.tex @@ -1,8 +1,10 @@ %% macros for ifeffit -*-latex-*- %% determine if this is pdflatex or latex - \newif\ifpdf - \ifx\pdfoutput\undefined{\pdffalse}\else{\pdfoutput=1 \pdftrue}\fi +% No need for this, use the package (CUS) + \usepackage{ifpdf} +% \newif\ifpdf +% \ifx\pdfoutput\undefined{\pdffalse}\else{\pdfoutput=1 \pdftrue}\fi % %%% % \ifpdf --- ifeffit-1.2.11d.orig/doc/Tutorial/ifmacs_pdf.tex +++ ifeffit-1.2.11d/doc/Tutorial/ifmacs_pdf.tex @@ -1,8 +1,10 @@ %% macros for ifeffit -*-latex-*- %% determine if this is pdflatex or latex - \newif\ifpdf - \ifx\pdfoutput\undefined{\pdffalse}\else{\pdfoutput=1 \pdftrue}\fi +% No need for this, use the package (CUS) + \usepackage{ifpdf} +% \newif\ifpdf +% \ifx\pdfoutput\undefined{\pdffalse}\else{\pdfoutput=1 \pdftrue}\fi % %%% % \ifpdf --- ifeffit-1.2.11d.orig/doc/RefMan/ifmacs.tex +++ ifeffit-1.2.11d/doc/RefMan/ifmacs.tex @@ -1,8 +1,10 @@ -pho%% macros for ifeffit -*-latex-*- +%% macros for ifeffit -*-latex-*- %% determine if this is pdflatex or latex - \newif\ifpdf - \ifx\pdfoutput\undefined{\pdffalse}\else{\pdfoutput=1 \pdftrue}\fi +% No need for this, use the package (CUS) + \usepackage{ifpdf} +% \newif\ifpdf +% \ifx\pdfoutput\undefined{\pdffalse}\else{\pdfoutput=1 \pdftrue}\fi % %%% % \ifpdf --- ifeffit-1.2.11d.orig/doc/RefMan/fourier.tex +++ ifeffit-1.2.11d/doc/RefMan/fourier.tex @@ -170,7 +170,7 @@ functions of $k$. The $R$-space windows %%#GraphicsFile% win_hanning WinHanning % Anatomy of the Hanning Window. \begin{figure}[tb] \begin{center} - \includegraphics[width=2.75in,angle=-90]{figs/win_hanning.ps} + \includegraphics[width=4.0in]{figs/win_hanning.png} \caption{ Anatomy of the Hanning Window.}\label{Fig:WinHanning} \end{center} \end{figure} %%#EndGraphics% @@ -178,7 +178,7 @@ functions of $k$. The $R$-space windows %%#GraphicsFile% win_parzen WinParzen % Anatomy of the Parzen Window. \begin{figure}[tb] \begin{center} - \includegraphics[width=2.75in,angle=-90]{figs/win_parzen.ps} + \includegraphics[width=4.0in]{figs/win_parzen.png} \caption{ Anatomy of the Parzen Window.}\label{Fig:WinParzen} \end{center} \end{figure} %%#EndGraphics% @@ -186,7 +186,7 @@ functions of $k$. The $R$-space windows %%#GraphicsFile% win_welch WinWelch % Anatomy of the Welch Window. \begin{figure}[tb] \begin{center} - \includegraphics[width=2.75in,angle=-90]{figs/win_welch.ps} + \includegraphics[width=4.0in]{figs/win_welch.png} \caption{ Anatomy of the Welch Window.}\label{Fig:WinWelch} \end{center} \end{figure} %%#EndGraphics% @@ -194,7 +194,7 @@ functions of $k$. The $R$-space windows %%#GraphicsFile% win_gauss WinGauss % Anatomy of the Gauss Window. \begin{figure}[tb] \begin{center} - \includegraphics[width=2.75in,angle=-90]{figs/win_gauss.ps} + \includegraphics[width=4.0in]{figs/win_gauss.png} \caption{ Anatomy of the Gauss Window.}\label{Fig:WinGauss} \end{center} \end{figure} %%#EndGraphics% @@ -202,7 +202,7 @@ functions of $k$. The $R$-space windows %%#GraphicsFile% win_kaiser WinKaiser % Anatomy of the Kaiser Window. \begin{figure}[tb] \begin{center} - \includegraphics[width=2.75in,angle=-90]{figs/win_kaiser.ps} + \includegraphics[width=4.0in]{figs/win_kaiser.png} \caption{ Anatomy of the Kaiser Window.}\label{Fig:WinKaiser} \end{center} \end{figure} %%#EndGraphics% @@ -210,7 +210,7 @@ functions of $k$. The $R$-space windows %%#GraphicsFile% win_sine WinSine % Anatomy of the Sine Window. \begin{figure}[tb] \begin{center} - \includegraphics[width=2.75in,angle=-90]{figs/win_sine.ps} + \includegraphics[width=4.0in]{figs/win_sine.png} \caption{ Anatomy of the Sine Window.}\label{Fig:WinSine} \end{center} \end{figure} %%#EndGraphics% --- ifeffit-1.2.11d.orig/doc/RefMan/ifmacs_pdf.tex +++ ifeffit-1.2.11d/doc/RefMan/ifmacs_pdf.tex @@ -1,8 +1,10 @@ %% macros for ifeffit -*-latex-*- %% determine if this is pdflatex or latex - \newif\ifpdf - \ifx\pdfoutput\undefined{\pdffalse}\else{\pdfoutput=1 \pdftrue}\fi +% No need for this, use the package (CUS) + \usepackage{ifpdf} +% \newif\ifpdf +% \ifx\pdfoutput\undefined{\pdffalse}\else{\pdfoutput=1 \pdftrue}\fi % %%% % \ifpdf --- ifeffit-1.2.11d.orig/doc/RefMan/.latex_type +++ ifeffit-1.2.11d/doc/RefMan/.latex_type @@ -1 +1 @@ -ps +pdf --- ifeffit-1.2.11d.orig/doc/RefMan/plotting.tex +++ ifeffit-1.2.11d/doc/RefMan/plotting.tex @@ -318,7 +318,7 @@ shown in Figure~\ref{Fig:PlotPoints}. { % A selection of plotting line and points styles % for {\ifeffit}. \begin{figure}[tb] \begin{center} - \includegraphics[width=2.75in,angle=-90]{figs/plot_styles.ps} + \includegraphics[width=4.0in]{figs/plot_styles.png} \caption{ A selection of plotting line and points styles for {\ifeffit}.}\label{Fig:PlotStyles} \end{center} \end{figure} @@ -332,7 +332,7 @@ shown in Figure~\ref{Fig:PlotPoints}. { % types such as {\tt{style=linespoints3}} will show the same point type, % joined with a solid line. \begin{figure}[tb] \begin{center} - \includegraphics[width=2.75in,angle=-90]{figs/plot_points.ps} + \includegraphics[width=4.0in]{figs/plot_points.png} \caption{ The plotting point types for {\ifeffit}, as produced with syntax such as {\tt{style=points3}}, and so forth. The linespoints types such as {\tt{style=linespoints3}} will show the same point type, @@ -468,7 +468,7 @@ which will render fonts as shown in Figu % Sample of plotting text strings, fonts, and special characters % for {\ifeffit} \begin{figure}[tb] \begin{center} - \includegraphics[width=2.75in,angle=-90]{figs/plot_fonts.ps} + \includegraphics[width=4.0in]{figs/plot_fonts.png} \caption{ Sample of plotting text strings, fonts, and special characters for {\ifeffit}}\label{Fig:PlotFonts} \end{center} \end{figure} @@ -536,7 +536,7 @@ which completely suppresses the arrowhea % A selection of examples of plotting arrow parameters % for {\ifeffit}. \begin{figure}[tb] \begin{center} - \includegraphics[width=2.75in,angle=-90]{figs/plot_arrows.ps} + \includegraphics[width=4.0in]{figs/plot_arrows.png} \caption{ A selection of examples of plotting arrow parameters for {\ifeffit}.}\label{Fig:PlotArrows} \end{center} \end{figure} debian/Makefile.PL0000644000000000000000000000143711353453441011150 0ustar # -*-perl-*- # Perl Makefile.PL auto-generated during Ifeffit build # This file may need some modifications, but should give # a good guess for how to build the Ifeffit extension. # use lib '.'; use ExtUtils::MakeMaker; use Config; WriteMakefile('NAME' => 'Ifeffit', 'SKIP' => ['test_dynamic'], 'OBJECT' => 'ifeffit_wrap.o', 'INSTALLBIN' => '/usr/bin', 'INSTALLSCRIPT' => '/usr/bin', 'LDDLFLAGS' => '-shared', 'INC' => '-I../../src/lib -I/usr/share/ifeffit/config', 'LIBS' =>[' -L../../src/lib '.$Config{ldflags}. ' -lifeffit -L/usr/lib -lpgplot -L '. join(" ", (sort(split(" ", "-lgfortranbegin -lgfortran -lm -lgcc_s" ))))] ); debian/pycompat0000644000000000000000000000000211353423664010744 0ustar 2 debian/python-ifeffit.desktop0000644000000000000000000000034411353423664013524 0ustar [Desktop Entry] Type=Application Encoding=UTF-8 Name=gifeffit Comment=interactive program for XAFS analysis GenericName=gifeffit Exec=gifeffit %F Terminal=False StartupNotify=true Categories=Education;Science;DataVisualization; debian/gifeffit.10000644000000000000000000000125211353423664011042 0ustar .TH GIFEFFIT 1 "January 10, 2004" "V0.9" "IFEFFIT Suite" .SH NAME gifeffit \- a Python GUI front end to Ifeffit .SH SYNOPSIS .B gifeffit .SH DESCRIPTION .B gifeffit is a graphical user interface to the IFEFFIT XAFS data analysis suite. It provides an enhanced interactive shell, a command window which can execute IFEFFIT scripts, and a spline window interface to AUTOBK. .PP See the IFEFFIT documentation in: .PP /usr/share/doc/ifeffit/pdf/ifeffit_tutorial.pdf .PP /usr/share/doc/ifeffit/pdf/ifeffit_reference.pdf .SH SEE ALSO .BR ifeffit (1) .SH AUTHOR This manual page was written by Carlo Segre , for the Debian GNU/Linux system (but may be used by others). debian/libifeffit-perl.dirs0000644000000000000000000000002011353423664013113 0ustar usr/share/perl5 debian/rules0000755000000000000000000002047511677421536010272 0ustar #!/usr/bin/make -f # Sample debian/rules that uses debhelper. # GNU copyright 1997 to 1999 by Joey Hess. # Uncomment this to turn on verbose mode. #export DH_VERBOSE=1 # This will fix the rpath lintian warning but breaks the python extensions. # For now, we have kludged a solution in the build-perl stanza below. #export FLIBS = -lfrtbegin -lg2c -lm -lgcc_s # change this when default Python version increases PYVERS=$(shell pyversions -vr) ifndef PERL PERL = /usr/bin/perl endif # These are used for cross-compiling and for saving the configure script # from having to guess our platform (since we know it already) DEB_HOST_GNU_TYPE ?= $(shell dpkg-architecture -qDEB_HOST_GNU_TYPE) DEB_BUILD_GNU_TYPE ?= $(shell dpkg-architecture -qDEB_BUILD_GNU_TYPE) CFLAGS = -Wall -g ifneq (,$(findstring noopt,$(DEB_BUILD_OPTIONS))) CFLAGS += -O0 else CFLAGS += -O2 endif ifeq (,$(findstring nostrip,$(DEB_BUILD_OPTIONS))) INSTALL_PROGRAM += -s endif # ---------- Begin maintainer-only rules ---------- # This rule is used by the package maintainer to refresh the # documentation which is not included in the original tarball # but is freely available on the program homepage. It requires # wget to be installed and only needs to be run occasionally. get-docs: rm -f debian/*.ps cd debian && \ wget http://cars9.uchicago.edu/~newville/feffit/feffit.ps && \ wget http://cars9.uchicago.edu/~newville/autobk/ProgramDoc/autobk.ps && \ wget http://cars9.uchicago.edu/dafs/diffkk/diffkk.ps && \ wget http://leonardo.phys.washington.edu/feff/Docs/feff/feff6.ps # ----------- End maintainer-only rules ----------- config.status: configure dh_testdir # Begin by saving some configuration files which may be outdated cp -a config.guess config.guess.save cp -a config.sub config.sub.save # Copy newer versions of these configuration scripts over if they exist ifneq "$(wildcard /usr/share/misc/config.sub)" "" cp -f /usr/share/misc/config.sub config.sub endif ifneq "$(wildcard /usr/share/misc/config.guess)" "" cp -f /usr/share/misc/config.guess config.guess endif ./configure --host=$(DEB_HOST_GNU_TYPE) \ --build=$(DEB_BUILD_GNU_TYPE) --prefix=/usr \ --mandir=\$${prefix}/share/man --infodir=\$${prefix}/share/info \ --with-pgplot-link="-lpgplot" build: build-arch build-indep build-arch: build-stamp build-indep: build-stamp build-stamp: config.status build-ifeffit build-all-pythons build-perl touch $@ build-ifeffit: dh_testdir $(MAKE) OPTIMIZE="$(CFLAGS)" touch $@ build-all-pythons: $(PYVERS:%=build-python%) # This is to force building of the gifeffit script without an explicit # python version in the #! line. cd wrappers/python && \ python setup.py build_scripts --build-dir=build/scripts || exit 1 ; touch $@ # Build Python extensions for each version of Python build-python%: dh_testdir cd wrappers/python && python$* setup.py build || exit 1 ; touch $@ # Configure and build Perl extensions. This must be done # AFTER the main package is built build-perl: build-ifeffit dh_testdir # Here is the kludge to avoid the rpath lintian warning # cp debian/Makefile.PL wrappers/perl/ cd wrappers/perl && \ $(PERL) Makefile.PL INSTALLDIRS=vendor && \ $(MAKE) OPTIMIZE="$(CFLAGS)" touch $@ build-docs: dh_testdir mkdir tmp_docs cp -a examples tmp_docs -find tmp_docs/examples -name 'CVS' | xargs rm -rf chmod -R 0644 tmp_docs/examples/* rm -rf tmp_docs/examples/scripting # Generate PDF documentation from postscript files. Note that the # postcript documentation needs to be refreshed occasionally using the # 'get-docs' rule. This avoids the need for the buildds to download them # at build time and risk failing if they are not available. mkdir tmp_docs/pdf ps2pdf debian/feffit.ps tmp_docs/pdf/feffit.pdf ; \ ps2pdf debian/autobk.ps tmp_docs/pdf/autobk.pdf ; \ ps2pdf debian/diffkk.ps tmp_docs/pdf/diffkk.pdf ; \ ps2pdf debian/feff6.ps tmp_docs/pdf/feff6.pdf ; \ cd doc/Tutorial && make pdf && \ mv tutor.pdf ../../tmp_docs/pdf/ifeffit_tutorial.pdf cd doc/RefMan && make pdf && \ mv refman.pdf ../../tmp_docs/pdf/ifeffit_reference.pdf touch $@ clean: dh_testdir dh_testroot rm -f build-stamp build-ifeffit build-all-pythons build-python* build-perl build-docs [ ! -f Makefile ] || $(MAKE) distclean # Clean up any config leftovers in original tarball which have been # regenerated during build so they don't appear in the diff.gz rm -f wrappers/perl/Makefile.PL rm -f wrappers/perl/Makefile rm -f wrappers/perl/pm_to_blib rm -f wrappers/python/site_install.py rm -f wrappers/tcl/TclSetup.in rm -f readline/config.log rm -f readline/config.status rm -f readline/stamp-h rm -f readline/config.h rm -f readline/Makefile rm -f readline/doc/Makefile rm -f readline/shlib/Makefile rm -f readline/examples/Makefile rm -f configure.in.save # Restore saved configuration files if they exist to minimize diffs ifneq "$(wildcard config.sub.save)" "" mv config.sub.save config.sub endif ifneq "$(wildcard config.guess.save)" "" mv config.guess.save config.guess endif # Clean up PDF downloaded documents rm -rf tmp_docs cd doc/Tutorial && make clean && rm -f *.bak cd doc/RefMan && make clean && rm -f *.bak # Clean up Python extensions rm -rf wrappers/python/*.pyc rm -rf wrappers/python/build rm -rf build # Clean up Perl extensions rm -rf wrappers/perl/blib rm -rf wrappers/perl/pm-to-blib rm -rf wrappers/perl/*.o rm -rf wrappers/perl/*.bs rm -rf wrappers/perl/Makefile dh_clean install: build install-prereq install-ifeffit install-all-pythons install-perl install-prereq: dh_testdir dh_testroot dh_prep dh_installdirs install-ifeffit: $(MAKE) install prefix=$(CURDIR)/debian/ifeffit/usr install-all-pythons: $(PYVERS:%=install-python%) # This is to force installation of the gifeffit script without a specific # version of python explicitly names in the #! line (Debian idiosyncracy) # It actually overwrites the scripts installed by each of the install-python% # rules below... cd wrappers/python && \ python setup.py install_scripts --force \ --install-dir=$(CURDIR)/debian/python-ifeffit/usr/bin \ --build-dir=build/scripts || exit 1 ; dh_install --package=python-ifeffit debian/python-ifeffit.desktop \ usr/share/applications/ install-python%: cd wrappers/python && \ python$* setup.py install --install-layout=deb \ --prefix=$(CURDIR)/debian/python-ifeffit/usr || exit 1 ; -find $(CURDIR)/debian/ -name '*.py[co]' | xargs rm -f # Install Perl extensions into debian/libifeffit-perl. install-perl: # Strip RPATH from Ifeffit.so before installing chrpath -d wrappers/perl/blib/arch/auto/Ifeffit/Ifeffit.so # old syntax, should be replaced as below... # cd wrappers/perl && $(MAKE) install \ # PREFIX=$(CURDIR)/debian/libifeffit-perl/usr INSTALLDIRS=vendor cd wrappers/perl && $(MAKE) install \ DESTDIR=$(CURDIR)/debian/libifeffit-perl/ INSTALLDIRS=vendor # The Makefile in wrappers/perl seems to be malformed and does not # install Ifeffit.pm in /usr/share/perl5. We shall do it by hand ... dh_install --package=libifeffit-perl wrappers/perl/Ifeffit.pm \ usr/share/perl5/ # In fact, sometimes it puts them in /usr/lib/perl5 along with # ifeffit_shell.pl and test_a.pl which we don't want for the pacakge. # So get rid of 'em! rm -f $(CURDIR)/debian/libifeffit-perl/usr/lib/perl5/Ifeffit.pm rm -f $(CURDIR)/debian/libifeffit-perl/usr/lib/perl5/ifeffit_shell.pl rm -f $(CURDIR)/debian/libifeffit-perl/usr/lib/perl5/test_a.pl install-docs: install-prereq # Build architecture-independent files here. binary-indep: build-docs install-docs dh_testdir -i dh_testroot -i dh_installdocs -i dh_installchangelogs ChangeLog -i dh_compress --exclude=.pdf --exclude=.iff --exclude=.dat \ --exclude=.chi --exclude=.xmu --exclude=.inp --exclude=.out \ --exclude=.sav --exclude=.py --exclude=LIST --exclude=AA -i dh_fixperms -i dh_installdeb -i dh_gencontrol -i dh_md5sums -i dh_builddeb -i # Build architecture-dependent files here. binary-arch: build install dh_testdir -a dh_testroot -a dh_installdocs -a dh_installexamples -a dh_installmenu -a dh_installman -a dh_installinfo -a dh_installchangelogs ChangeLog -a dh_python2 --package=python-ifeffit dh_perl --package=libifeffit-perl dh_link -a dh_strip -a dh_compress -a dh_fixperms -a dh_installdeb -a dh_shlibdeps -a dh_gencontrol -a dh_md5sums -a dh_builddeb -a binary: binary-indep binary-arch .PHONY: build clean binary-indep binary-arch binary install debian/autobk.10000644000000000000000000000106211353423664010543 0ustar .TH AUTOBK 1 "January 10, 2004" "V2.93a" "IFEFFIT Suite" .SH NAME autobk \- automatic XAFS background removal .SH SYNOPSIS .B autobk .SH DESCRIPTION .B autobk is a command line program which belongs to the IFEFFIT XAFS data analysis suite and is generally invoked from one of the interactive user interfaces, ifeffit or gifeffit. .PP Program documentation in PDF format may be found in /usr/share/doc/ifeffit/pdf/autobk.pdf. .SH AUTHOR This manual page was written by Carlo Segre , for the Debian GNU/Linux system (but may be used by others). debian/README.Debian0000644000000000000000000000033311353423664011235 0ustar The ifeffit tarball is distributed with the 'readline' source removed in order to sare archive space and eliminate a lintian error due to outdated configuration files in said source. Carlo U. Segre, September 21, 2007 debian/python-ifeffit.menu0000644000000000000000000000022111353423664013011 0ustar ?package(python-ifeffit):needs="X11" \ section="Applications/Science/Data Analysis" \ title="GIFeffit" \ command="/usr/bin/gifeffit"