test-suite/0000755000175000001440000000000012774720714012367 5ustar fspigauserstest-suite/epw_metal/0000755000175000001440000000000012774720437014346 5ustar fspigauserstest-suite/epw_metal/scf.in0000644000175000001440000000134512774703212015444 0ustar fspigausers &control calculation = 'scf' prefix = 'pb' restart_mode = 'from_scratch' wf_collect = .true. pseudo_dir = '.' outdir = './' verbosity = 'high' tprnfor = .true. tstress = .true. / &system ibrav = 2 celldm(1) = 9.27 nat = 1 ntyp = 1 ecutwfc = 60 occupations = 'smearing' smearing = 'mp' degauss = 0.025 / &electrons diagonalization = 'david' mixing_beta = 0.7 conv_thr = 1.0d-10 / ATOMIC_SPECIES Pb 207.2 pb_s.UPF ATOMIC_POSITIONS crystal Pb 0.000000000 0.000000000 0.000000000 K_POINTS AUTOMATIC 6 6 6 0 0 0 test-suite/epw_metal/benchmark.out.6.0.inp=epw.in.args=30000644000175000001440000142042412774703212022450 0ustar fspigausers ``:oss/ `.+s+. .+ys--yh+ `./ss+. -sh//yy+` +yy +yy -+h+-oyy -yh- .oyy/.-sh. .syo-.:sy- /yh `.-.` `yh+ -oyyyo. `/syys: oys `.` `/+ssys+-` `sh+ ` oys` .:osyo` -yh- ./syyooyo` .sys+/oyo--yh/ `yy+ .-:-. `-/+/:` -sh- /yh. oys ``..---hho---------` .---------..` `.-----.` -hd+---. `./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:` +sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy` -yy/ /MMM+.`-+/``mMMy- `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs -yy+` /MMMo:-mMM+`-oo/. mMMh: `dMMN/` dMMm:`dMMMMy..MMMo-.+yo` .sys`/MMMMNNMMMs- mMMmyooooymMMNo: oMMM/sMMMMMM++MMN//oh: `sh+/MMMhyyMMMs- `-` mMMMMMMMMMNmy+-` -MMMhMMMsmMMmdMMd/yy+ `-/+++oyy-/MMM+.`/hh/.`mNm:` mMMd+/////:-.` NMMMMMd/:NMMMMMy:/yyo/:.` +os+//:-..-oMMMo:--:::-/MMMo. .-mMMd+---` hMMMMN+. oMMMMMo. `-+osyso:` syo `mNMMMMMNNNNNNNNMMMo.oNNMMMMMNNNN:` +MMMMs:` dMMMN/` ``:syo /yh` :syyyyyyyyyyyyyyyy+.`+syyyyyyyyo:` .oyys:` .oyys:` +yh -yh- ```````````````` ````````` `` `` oys -+h/------------------------::::::::://////++++++++++++++++++++++///////::::/yd: shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh` S. Ponce, E. R. Margine, C. Verdi, and F. Giustino, http://arxiv.org/abs/1604.03525 Program EPW v.4.0.0 (svn rev. 12728) starts on 13Aug2016 at 12:10:18 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote HOST : @host@ ARCH : x86_64 CC : cc CPP : cpp F90 : mpif90 F77 : gfortran DFLAGS : -D__GFORTRAN -D__STD_F95 -D__FFTW -D__MPI -D__PARA BLAS LIBS : /home/sponce/program/espresso/BLAS/blas.a LAPACK LIBS : /home/sponce/program/espresso/lapack-3.2/lapack.a FFT LIBS : MASS LIBS : Parallel version (MPI), running on 1 processors Reading data from directory: ./pb.save Info: using nr1, nr2, nr3 values from input Info: using nr1, nr2, nr3 values from input IMPORTANT: XC functional enforced from input : Exchange-correlation = PZ ( 1 1 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 703 703 211 12387 12387 2109 -- bravais-lattice index = 2 lattice parameter (a_0) = 9.2700 a.u. unit-cell volume = 199.1495 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 kinetic-energy cut-off = 60.0000 Ry charge density cut-off = 240.0000 Ry convergence threshold = 0.0E+00 beta = 0.0000 number of iterations used = 0 Exchange-correlation = PZ ( 1 1 0 0 0 0) celldm(1)= 9.27000 celldm(2)= 0.00000 celldm(3)= 0.00000 celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000 crystal axes: (cart. coord. in units of a_0) a(1) = ( -0.5000 0.0000 0.5000 ) a(2) = ( 0.0000 0.5000 0.5000 ) a(3) = ( -0.5000 0.5000 0.0000 ) reciprocal axes: (cart. coord. in units 2 pi/a_0) b(1) = ( -1.0000 -1.0000 1.0000 ) b(2) = ( 1.0000 1.0000 1.0000 ) b(3) = ( -1.0000 1.0000 -1.0000 ) Atoms inside the unit cell: Cartesian axes site n. atom mass positions (a_0 units) 1 Pb 207.2175 tau( 1) = ( 0.00000 0.00000 0.00000 ) 49 Sym.Ops. (with q -> -q+G ) G cutoff = 522.4094 ( 12387 G-vectors) FFT grid: ( 36, 36, 36) number of k points= 27 gaussian broad. (Ry)= 0.0200 ngauss = 1 cart. coord. in units 2pi/a_0 k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0740741 k( 2) = ( -0.3333333 0.3333333 -0.3333333), wk = 0.0740741 k( 3) = ( -0.6666667 0.6666667 -0.6666667), wk = 0.0740741 k( 4) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0740741 k( 5) = ( 0.0000000 0.6666667 0.0000000), wk = 0.0740741 k( 6) = ( -0.3333333 1.0000000 -0.3333333), wk = 0.0740741 k( 7) = ( 0.6666667 0.6666667 0.6666667), wk = 0.0740741 k( 8) = ( 0.3333333 1.0000000 0.3333333), wk = 0.0740741 k( 9) = ( 0.0000000 1.3333333 0.0000000), wk = 0.0740741 k( 10) = ( -0.3333333 -0.3333333 0.3333333), wk = 0.0740741 k( 11) = ( -0.6666667 0.0000000 0.0000000), wk = 0.0740741 k( 12) = ( -1.0000000 0.3333333 -0.3333333), wk = 0.0740741 k( 13) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0740741 k( 14) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0740741 k( 15) = ( -0.6666667 0.6666667 -0.0000000), wk = 0.0740741 k( 16) = ( 0.3333333 0.3333333 1.0000000), wk = 0.0740741 k( 17) = ( 0.0000000 0.6666667 0.6666667), wk = 0.0740741 k( 18) = ( -0.3333333 1.0000000 0.3333333), wk = 0.0740741 k( 19) = ( -0.6666667 -0.6666667 0.6666667), wk = 0.0740741 k( 20) = ( -1.0000000 -0.3333333 0.3333333), wk = 0.0740741 k( 21) = ( -1.3333333 0.0000000 0.0000000), wk = 0.0740741 k( 22) = ( -0.3333333 -0.3333333 1.0000000), wk = 0.0740741 k( 23) = ( -0.6666667 -0.0000000 0.6666667), wk = 0.0740741 k( 24) = ( -1.0000000 0.3333333 0.3333333), wk = 0.0740741 k( 25) = ( 0.0000000 0.0000000 1.3333333), wk = 0.0740741 k( 26) = ( -0.3333333 0.3333333 1.0000000), wk = 0.0740741 k( 27) = ( -0.6666667 0.6666667 0.6666667), wk = 0.0740741 PseudoPot. # 1 for Pb read from file: ./pb_s.UPF MD5 check sum: 7774f596943a2055f0d8d19eea6f2ae8 Pseudo is Norm-conserving, Zval = 14.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1281 points, 2 beta functions with: l(1) = 2 l(2) = 1 EPW : 0.57s CPU 0.29s WALL EPW : 1.12s CPU 0.57s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- Wannierization on 3 x 3 x 3 electronic grid ------------------------------------------------------------------- Spin CASE ( default = unpolarized ) Initializing Wannier90 Initial Wannier projections ( 0.00000 0.00000 0.00000) : l = -3 mr = 1 ( 0.00000 0.00000 0.00000) : l = -3 mr = 2 ( 0.00000 0.00000 0.00000) : l = -3 mr = 3 ( 0.00000 0.00000 0.00000) : l = -3 mr = 4 - Number of bands is ( 11) - Number of wannier functions is ( 4) - All guiding functions are given Reading data about k-point neighbours - All neighbours are found AMN k points = 27 in 1 pools 1 of 27 on ionode 2 of 27 on ionode 3 of 27 on ionode 4 of 27 on ionode 5 of 27 on ionode 6 of 27 on ionode 7 of 27 on ionode 8 of 27 on ionode 9 of 27 on ionode 10 of 27 on ionode 11 of 27 on ionode 12 of 27 on ionode 13 of 27 on ionode 14 of 27 on ionode 15 of 27 on ionode 16 of 27 on ionode 17 of 27 on ionode 18 of 27 on ionode 19 of 27 on ionode 20 of 27 on ionode 21 of 27 on ionode 22 of 27 on ionode 23 of 27 on ionode 24 of 27 on ionode 25 of 27 on ionode 26 of 27 on ionode 27 of 27 on ionode AMN calculated MMN k points = 27 in 1 pools 1 of 27 on ionode 2 of 27 on ionode 3 of 27 on ionode 4 of 27 on ionode 5 of 27 on ionode 6 of 27 on ionode 7 of 27 on ionode 8 of 27 on ionode 9 of 27 on ionode 10 of 27 on ionode 11 of 27 on ionode 12 of 27 on ionode 13 of 27 on ionode 14 of 27 on ionode 15 of 27 on ionode 16 of 27 on ionode 17 of 27 on ionode 18 of 27 on ionode 19 of 27 on ionode 20 of 27 on ionode 21 of 27 on ionode 22 of 27 on ionode 23 of 27 on ionode 24 of 27 on ionode 25 of 27 on ionode 26 of 27 on ionode 27 of 27 on ionode MMN calculated Running Wannier90 Wannier Function centers (cartesian, alat) and spreads (ang): ( 0.08268 0.08268 0.08268) : 1.58499 ( 0.08268 -0.08268 -0.08268) : 1.58499 ( -0.08268 0.08268 -0.08268) : 1.58499 ( -0.08268 -0.08268 0.08268) : 1.58499 ------------------------------------------------------------------- WANNIER : 18.78s CPU 9.44s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## kmaps : 3.79s CPU 1.91s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 48 =================================================================== irreducible q point # 1 =================================================================== Symmetries of small group of q: 48 in addition sym. q -> -q+G: Number of q in the star = 1 List of q in the star: 1 0.000000000 0.000000000 0.000000000 Imposing acoustic sum rule on the dynamical matrix q( 1 ) = ( 0.0000000 0.0000000 0.0000000 ) =================================================================== irreducible q point # 2 =================================================================== Symmetries of small group of q: 6 Number of q in the star = 8 List of q in the star: 1 -0.333333333 0.333333333 -0.333333333 2 0.333333333 0.333333333 -0.333333333 3 0.333333333 0.333333333 0.333333333 4 -0.333333333 0.333333333 0.333333333 5 0.333333333 -0.333333333 0.333333333 6 -0.333333333 -0.333333333 -0.333333333 7 0.333333333 -0.333333333 -0.333333333 8 -0.333333333 -0.333333333 0.333333333 q( 2 ) = ( -0.3333333 0.3333333 -0.3333333 ) q( 3 ) = ( 0.3333333 0.3333333 -0.3333333 ) q( 4 ) = ( 0.3333333 0.3333333 0.3333333 ) q( 5 ) = ( -0.3333333 0.3333333 0.3333333 ) q( 6 ) = ( 0.3333333 -0.3333333 0.3333333 ) q( 7 ) = ( -0.3333333 -0.3333333 -0.3333333 ) q( 8 ) = ( 0.3333333 -0.3333333 -0.3333333 ) q( 9 ) = ( -0.3333333 -0.3333333 0.3333333 ) =================================================================== irreducible q point # 3 =================================================================== Symmetries of small group of q: 8 Number of q in the star = 6 List of q in the star: 1 0.000000000 0.666666667 0.000000000 2 -0.666666667 0.000000000 0.000000000 3 0.000000000 -0.666666667 0.000000000 4 0.000000000 0.000000000 0.666666667 5 0.000000000 0.000000000 -0.666666667 6 0.666666667 0.000000000 0.000000000 q( 10 ) = ( 0.0000000 0.6666667 0.0000000 ) q( 11 ) = ( -0.6666667 0.0000000 0.0000000 ) q( 12 ) = ( 0.0000000 -0.6666667 0.0000000 ) q( 13 ) = ( 0.0000000 0.0000000 0.6666667 ) q( 14 ) = ( 0.0000000 0.0000000 -0.6666667 ) q( 15 ) = ( 0.6666667 0.0000000 0.0000000 ) =================================================================== irreducible q point # 4 =================================================================== Symmetries of small group of q: 4 Number of q in the star = 12 List of q in the star: 1 0.666666667 0.000000000 0.666666667 2 0.666666667 0.000000000 -0.666666667 3 -0.666666667 0.000000000 -0.666666667 4 -0.666666667 0.000000000 0.666666667 5 0.000000000 -0.666666667 0.666666667 6 -0.666666667 0.666666667 0.000000000 7 -0.666666667 -0.666666667 0.000000000 8 0.666666667 0.666666667 0.000000000 9 0.666666667 -0.666666667 0.000000000 10 0.000000000 0.666666667 0.666666667 11 0.000000000 0.666666667 -0.666666667 12 0.000000000 -0.666666667 -0.666666667 q( 16 ) = ( 0.6666667 0.0000000 0.6666667 ) q( 17 ) = ( 0.6666667 0.0000000 -0.6666667 ) q( 18 ) = ( -0.6666667 0.0000000 -0.6666667 ) q( 19 ) = ( -0.6666667 0.0000000 0.6666667 ) q( 20 ) = ( 0.0000000 -0.6666667 0.6666667 ) q( 21 ) = ( -0.6666667 0.6666667 0.0000000 ) q( 22 ) = ( -0.6666667 -0.6666667 0.0000000 ) q( 23 ) = ( 0.6666667 0.6666667 0.0000000 ) q( 24 ) = ( 0.6666667 -0.6666667 0.0000000 ) q( 25 ) = ( 0.0000000 0.6666667 0.6666667 ) q( 26 ) = ( 0.0000000 0.6666667 -0.6666667 ) q( 27 ) = ( 0.0000000 -0.6666667 -0.6666667 ) Writing epmatq on .epb files The .epb files have been correctly written band disentanglement is used: nbndsub = 4 Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file Finished reading Wann rep data from file Using uniform q-mesh: 6 6 6 Size of q point mesh for interpolation: 216 Using uniform k-mesh: 6 6 6 Size of k point mesh for interpolation: 432 Max number of k points per pool: 432 Fermi energy coarse grid = 9.797928 eV Skipping the first 5 bands: The Fermi level will be determined with 4.00000 electrons Fermi energy is calculated from the fine k-mesh: Ef = 11.756004 eV Warning: check if difference with Fermi level fine grid makes sense =================================================================== ibndmin = 2 ebndmin = 0.501 ibndmax = 4 ebndmax = 1.265 Number of ep-matrix elements per pool : 5832 ~= 45.56 Kb (@ 8 bytes/ DP) =================================================================== Phonon (Imaginary) Self-Energy in the Migdal Approximation =================================================================== Fermi Surface thickness = 6.000000 eV Golden Rule strictly enforced with T = 0.025852 eV Gaussian Broadening: 0.100000 eV, ngauss= 1 DOS = 0.518460 states/spin/eV/Unit Cell at Ef= 11.756004 eV ismear = 1 iq = 1 coord.: 0.00000 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 0.0000 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.0000 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 0.0000 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.0000 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.0000 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.0000 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 215 out of 216 =================================================================== Electron (Imaginary) Self-Energy in the Migdal Approximation =================================================================== Fermi Surface thickness = 6.000000 eV Golden Rule strictly enforced with T = 0.025852 eV Gaussian Broadening: 0.100000 eV, ngauss= 1 DOS = 0.518460 states/spin/eV/Unit Cell at Ef= 11.756004 eV ismear = 1 iq = 2 coord.: 0.00000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 5.3852 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 5.3852 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 3 coord.: 0.00000 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 1 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 2 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 2 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 3 )= 0.228280 gamma= 0.031432 meV omega= 9.1943 meV lambda_tr( 3 )= -0.158961 gamma_tr= -0.021888 meV omega= 9.1943 meV lambda( tot )= 0.418257 lambda_tr( tot )= -0.368137 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 4 coord.: 0.00000 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.6766 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.6766 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.6766 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.6766 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5390 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5390 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 5 coord.: 0.00000 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 1 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 2 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 2 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 3 )= 0.228280 gamma= 0.031432 meV omega= 9.1943 meV lambda_tr( 3 )= -0.158961 gamma_tr= -0.021888 meV omega= 9.1943 meV lambda( tot )= 0.418258 lambda_tr( tot )= -0.368137 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 6 coord.: 0.00000 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 5.3852 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 5.3852 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 7 coord.: 0.00000 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 5.3852 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 5.3852 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 8 coord.: 0.00000 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.8973 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8973 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.8973 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8973 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 6.4212 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.4212 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 9 coord.: 0.00000 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 10 coord.: 0.00000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 11 coord.: 0.00000 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 12 coord.: 0.00000 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.233591 gamma= 0.010910 meV omega= 5.3549 meV lambda_tr( 1 )= 0.210588 gamma_tr= 0.009836 meV omega= 5.3549 meV lambda( 2 )= 0.138508 gamma= 0.006739 meV omega= 5.4655 meV lambda_tr( 2 )= 0.122794 gamma_tr= 0.005975 meV omega= 5.4655 meV lambda( 3 )= 0.046109 gamma= 0.004740 meV omega= 7.9447 meV lambda_tr( 3 )= 0.042080 gamma_tr= 0.004326 meV omega= 7.9447 meV lambda( tot )= 0.418209 lambda_tr( tot )= 0.375462 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 13 coord.: 0.00000 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 1 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 2 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 2 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 3 )= 0.228280 gamma= 0.031432 meV omega= 9.1943 meV lambda_tr( 3 )= -0.158961 gamma_tr= -0.021888 meV omega= 9.1943 meV lambda( tot )= 0.418258 lambda_tr( tot )= -0.368137 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 14 coord.: 0.00000 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 15 coord.: 0.00000 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.331688 gamma= 0.024294 meV omega= 6.7059 meV lambda_tr( 1 )= 0.331688 gamma_tr= 0.024294 meV omega= 6.7059 meV lambda( 2 )= 0.331688 gamma= 0.024294 meV omega= 6.7059 meV lambda_tr( 2 )= 0.331688 gamma_tr= 0.024294 meV omega= 6.7059 meV lambda( 3 )= 0.001510 gamma= 0.000256 meV omega= 10.1933 meV lambda_tr( 3 )= 0.001510 gamma_tr= 0.000256 meV omega= 10.1933 meV lambda( tot )= 0.664887 lambda_tr( tot )= 0.664887 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 16 coord.: 0.00000 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 17 coord.: 0.00000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.014562 gamma= 0.001284 meV omega= 7.3569 meV lambda_tr( 1 )= 0.041915 gamma_tr= 0.003695 meV omega= 7.3569 meV lambda( 2 )= 0.103832 gamma= 0.014741 meV omega= 9.3361 meV lambda_tr( 2 )= 0.278832 gamma_tr= 0.039586 meV omega= 9.3361 meV lambda( 3 )= 0.004021 gamma= 0.000590 meV omega= 9.4900 meV lambda_tr( 3 )= 0.010752 gamma_tr= 0.001577 meV omega= 9.4900 meV lambda( tot )= 0.122415 lambda_tr( tot )= 0.331499 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 18 coord.: 0.00000 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 19 coord.: 0.00000 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.6766 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.6766 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.6766 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.6766 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5390 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5390 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 20 coord.: 0.00000 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 21 coord.: 0.00000 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 22 coord.: 0.00000 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.019980 gamma= 0.001938 meV omega= 7.7175 meV lambda_tr( 1 )= 0.045490 gamma_tr= 0.004413 meV omega= 7.7175 meV lambda( 2 )= 0.019980 gamma= 0.001938 meV omega= 7.7175 meV lambda_tr( 2 )= 0.045490 gamma_tr= 0.004413 meV omega= 7.7175 meV lambda( 3 )= 0.208393 gamma= 0.042545 meV omega= 11.1957 meV lambda_tr( 3 )= 0.505025 gamma_tr= 0.103105 meV omega= 11.1957 meV lambda( tot )= 0.248353 lambda_tr( tot )= 0.596005 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 23 coord.: 0.00000 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 24 coord.: 0.00000 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 25 coord.: 0.00000 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 1 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 2 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 2 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 3 )= 0.228280 gamma= 0.031432 meV omega= 9.1943 meV lambda_tr( 3 )= -0.158961 gamma_tr= -0.021888 meV omega= 9.1943 meV lambda( tot )= 0.418258 lambda_tr( tot )= -0.368137 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 26 coord.: 0.00000 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 27 coord.: 0.00000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.014562 gamma= 0.001284 meV omega= 7.3569 meV lambda_tr( 1 )= 0.041915 gamma_tr= 0.003695 meV omega= 7.3569 meV lambda( 2 )= 0.103832 gamma= 0.014741 meV omega= 9.3361 meV lambda_tr( 2 )= 0.278832 gamma_tr= 0.039586 meV omega= 9.3361 meV lambda( 3 )= 0.004021 gamma= 0.000590 meV omega= 9.4900 meV lambda_tr( 3 )= 0.010752 gamma_tr= 0.001577 meV omega= 9.4900 meV lambda( tot )= 0.122415 lambda_tr( tot )= 0.331499 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 28 coord.: 0.00000 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 29 coord.: 0.00000 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.331688 gamma= 0.024294 meV omega= 6.7059 meV lambda_tr( 1 )= 0.331688 gamma_tr= 0.024294 meV omega= 6.7059 meV lambda( 2 )= 0.331688 gamma= 0.024294 meV omega= 6.7059 meV lambda_tr( 2 )= 0.331688 gamma_tr= 0.024294 meV omega= 6.7059 meV lambda( 3 )= 0.001510 gamma= 0.000256 meV omega= 10.1933 meV lambda_tr( 3 )= 0.001510 gamma_tr= 0.000256 meV omega= 10.1933 meV lambda( tot )= 0.664887 lambda_tr( tot )= 0.664887 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 30 coord.: 0.00000 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 31 coord.: 0.00000 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 5.3852 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 5.3852 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 32 coord.: 0.00000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.233591 gamma= 0.010910 meV omega= 5.3549 meV lambda_tr( 1 )= 0.210588 gamma_tr= 0.009836 meV omega= 5.3549 meV lambda( 2 )= 0.138508 gamma= 0.006739 meV omega= 5.4655 meV lambda_tr( 2 )= 0.122794 gamma_tr= 0.005975 meV omega= 5.4655 meV lambda( 3 )= 0.046109 gamma= 0.004740 meV omega= 7.9447 meV lambda_tr( 3 )= 0.042080 gamma_tr= 0.004326 meV omega= 7.9447 meV lambda( tot )= 0.418208 lambda_tr( tot )= 0.375462 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 33 coord.: 0.00000 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 34 coord.: 0.00000 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 35 coord.: 0.00000 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 36 coord.: 0.00000 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.8973 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8973 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.8973 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8973 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 6.4212 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.4212 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 37 coord.: 0.16667 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 5.3852 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 5.3852 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 38 coord.: 0.16667 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.8973 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8973 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.8973 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8973 meV lambda( 3 )= -0.000000 gamma= -0.000000 meV omega= 6.4212 meV lambda_tr( 3 )= -0.000000 gamma_tr= -0.000000 meV omega= 6.4212 meV lambda( tot )= -0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 39 coord.: 0.16667 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 40 coord.: 0.16667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156328 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 41 coord.: 0.16667 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 42 coord.: 0.16667 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.233591 gamma= 0.010910 meV omega= 5.3549 meV lambda_tr( 1 )= 0.210588 gamma_tr= 0.009836 meV omega= 5.3549 meV lambda( 2 )= 0.138508 gamma= 0.006739 meV omega= 5.4655 meV lambda_tr( 2 )= 0.122794 gamma_tr= 0.005975 meV omega= 5.4655 meV lambda( 3 )= 0.046109 gamma= 0.004740 meV omega= 7.9447 meV lambda_tr( 3 )= 0.042080 gamma_tr= 0.004326 meV omega= 7.9447 meV lambda( tot )= 0.418209 lambda_tr( tot )= 0.375462 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 43 coord.: 0.16667 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.8973 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8973 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.8973 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8973 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 6.4212 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.4212 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 44 coord.: 0.16667 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 5.3852 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 5.3852 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 45 coord.: 0.16667 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.233591 gamma= 0.010910 meV omega= 5.3549 meV lambda_tr( 1 )= 0.210588 gamma_tr= 0.009836 meV omega= 5.3549 meV lambda( 2 )= 0.138508 gamma= 0.006739 meV omega= 5.4655 meV lambda_tr( 2 )= 0.122794 gamma_tr= 0.005975 meV omega= 5.4655 meV lambda( 3 )= 0.046109 gamma= 0.004740 meV omega= 7.9447 meV lambda_tr( 3 )= 0.042080 gamma_tr= 0.004326 meV omega= 7.9447 meV lambda( tot )= 0.418209 lambda_tr( tot )= 0.375462 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 46 coord.: 0.16667 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 47 coord.: 0.16667 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 48 coord.: 0.16667 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 49 coord.: 0.16667 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 50 coord.: 0.16667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.233591 gamma= 0.010910 meV omega= 5.3549 meV lambda_tr( 1 )= 0.210588 gamma_tr= 0.009836 meV omega= 5.3549 meV lambda( 2 )= 0.138508 gamma= 0.006739 meV omega= 5.4655 meV lambda_tr( 2 )= 0.122794 gamma_tr= 0.005975 meV omega= 5.4655 meV lambda( 3 )= 0.046109 gamma= 0.004740 meV omega= 7.9447 meV lambda_tr( 3 )= 0.042080 gamma_tr= 0.004326 meV omega= 7.9447 meV lambda( tot )= 0.418208 lambda_tr( tot )= 0.375462 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 51 coord.: 0.16667 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 52 coord.: 0.16667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108866 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 53 coord.: 0.16667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 54 coord.: 0.16667 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257539 lambda_tr( tot )= 0.145258 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 55 coord.: 0.16667 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 56 coord.: 0.16667 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 57 coord.: 0.16667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145258 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 58 coord.: 0.16667 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 59 coord.: 0.16667 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.065627 gamma= 0.006977 meV omega= 8.0792 meV lambda_tr( 1 )= 0.065627 gamma_tr= 0.006977 meV omega= 8.0792 meV lambda( 2 )= 0.001181 gamma= 0.000139 meV omega= 8.4924 meV lambda_tr( 2 )= 0.001181 gamma_tr= 0.000139 meV omega= 8.4924 meV lambda( 3 )= 0.008260 gamma= 0.001413 meV omega= 10.2476 meV lambda_tr( 3 )= 0.008260 gamma_tr= 0.001413 meV omega= 10.2476 meV lambda( tot )= 0.075069 lambda_tr( tot )= 0.075069 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 60 coord.: 0.16667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 61 coord.: 0.16667 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 62 coord.: 0.16667 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 63 coord.: 0.16667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 64 coord.: 0.16667 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.065627 gamma= 0.006977 meV omega= 8.0792 meV lambda_tr( 1 )= 0.065627 gamma_tr= 0.006977 meV omega= 8.0792 meV lambda( 2 )= 0.001181 gamma= 0.000139 meV omega= 8.4924 meV lambda_tr( 2 )= 0.001181 gamma_tr= 0.000139 meV omega= 8.4924 meV lambda( 3 )= 0.008260 gamma= 0.001413 meV omega= 10.2476 meV lambda_tr( 3 )= 0.008260 gamma_tr= 0.001413 meV omega= 10.2476 meV lambda( tot )= 0.075069 lambda_tr( tot )= 0.075069 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 65 coord.: 0.16667 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 66 coord.: 0.16667 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108866 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 67 coord.: 0.16667 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.233591 gamma= 0.010910 meV omega= 5.3549 meV lambda_tr( 1 )= 0.210588 gamma_tr= 0.009836 meV omega= 5.3549 meV lambda( 2 )= 0.138508 gamma= 0.006739 meV omega= 5.4655 meV lambda_tr( 2 )= 0.122794 gamma_tr= 0.005975 meV omega= 5.4655 meV lambda( 3 )= 0.046109 gamma= 0.004740 meV omega= 7.9447 meV lambda_tr( 3 )= 0.042080 gamma_tr= 0.004326 meV omega= 7.9447 meV lambda( tot )= 0.418208 lambda_tr( tot )= 0.375462 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 68 coord.: 0.16667 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 69 coord.: 0.16667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108866 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257539 lambda_tr( tot )= 0.145258 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 70 coord.: 0.16667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 71 coord.: 0.16667 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 72 coord.: 0.16667 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 73 coord.: 0.33333 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 1 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 2 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 2 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 3 )= 0.228280 gamma= 0.031432 meV omega= 9.1943 meV lambda_tr( 3 )= -0.158961 gamma_tr= -0.021888 meV omega= 9.1943 meV lambda( tot )= 0.418258 lambda_tr( tot )= -0.368137 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 74 coord.: 0.33333 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 75 coord.: 0.33333 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.331688 gamma= 0.024294 meV omega= 6.7059 meV lambda_tr( 1 )= 0.331688 gamma_tr= 0.024294 meV omega= 6.7059 meV lambda( 2 )= 0.331688 gamma= 0.024294 meV omega= 6.7059 meV lambda_tr( 2 )= 0.331688 gamma_tr= 0.024294 meV omega= 6.7059 meV lambda( 3 )= 0.001510 gamma= 0.000256 meV omega= 10.1933 meV lambda_tr( 3 )= 0.001510 gamma_tr= 0.000256 meV omega= 10.1933 meV lambda( tot )= 0.664887 lambda_tr( tot )= 0.664887 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 76 coord.: 0.33333 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 77 coord.: 0.33333 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.014562 gamma= 0.001284 meV omega= 7.3569 meV lambda_tr( 1 )= 0.041915 gamma_tr= 0.003695 meV omega= 7.3569 meV lambda( 2 )= 0.103832 gamma= 0.014741 meV omega= 9.3361 meV lambda_tr( 2 )= 0.278832 gamma_tr= 0.039586 meV omega= 9.3361 meV lambda( 3 )= 0.004021 gamma= 0.000590 meV omega= 9.4900 meV lambda_tr( 3 )= 0.010752 gamma_tr= 0.001577 meV omega= 9.4900 meV lambda( tot )= 0.122415 lambda_tr( tot )= 0.331498 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 78 coord.: 0.33333 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 79 coord.: 0.33333 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 80 coord.: 0.33333 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.233591 gamma= 0.010910 meV omega= 5.3549 meV lambda_tr( 1 )= 0.210588 gamma_tr= 0.009836 meV omega= 5.3549 meV lambda( 2 )= 0.138508 gamma= 0.006739 meV omega= 5.4655 meV lambda_tr( 2 )= 0.122794 gamma_tr= 0.005975 meV omega= 5.4655 meV lambda( 3 )= 0.046109 gamma= 0.004740 meV omega= 7.9447 meV lambda_tr( 3 )= 0.042080 gamma_tr= 0.004326 meV omega= 7.9447 meV lambda( tot )= 0.418209 lambda_tr( tot )= 0.375462 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 81 coord.: 0.33333 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 82 coord.: 0.33333 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108866 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 83 coord.: 0.33333 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 84 coord.: 0.33333 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257539 lambda_tr( tot )= 0.145258 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 85 coord.: 0.33333 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.331688 gamma= 0.024294 meV omega= 6.7059 meV lambda_tr( 1 )= 0.331688 gamma_tr= 0.024294 meV omega= 6.7059 meV lambda( 2 )= 0.331688 gamma= 0.024294 meV omega= 6.7059 meV lambda_tr( 2 )= 0.331688 gamma_tr= 0.024294 meV omega= 6.7059 meV lambda( 3 )= 0.001510 gamma= 0.000256 meV omega= 10.1933 meV lambda_tr( 3 )= 0.001510 gamma_tr= 0.000256 meV omega= 10.1933 meV lambda( tot )= 0.664887 lambda_tr( tot )= 0.664887 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 86 coord.: 0.33333 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 87 coord.: 0.33333 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 1 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 2 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 2 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 3 )= 0.228280 gamma= 0.031432 meV omega= 9.1943 meV lambda_tr( 3 )= -0.158961 gamma_tr= -0.021888 meV omega= 9.1943 meV lambda( tot )= 0.418258 lambda_tr( tot )= -0.368137 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 88 coord.: 0.33333 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 89 coord.: 0.33333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.014562 gamma= 0.001284 meV omega= 7.3569 meV lambda_tr( 1 )= 0.041915 gamma_tr= 0.003695 meV omega= 7.3569 meV lambda( 2 )= 0.103832 gamma= 0.014741 meV omega= 9.3361 meV lambda_tr( 2 )= 0.278832 gamma_tr= 0.039586 meV omega= 9.3361 meV lambda( 3 )= 0.004021 gamma= 0.000590 meV omega= 9.4900 meV lambda_tr( 3 )= 0.010752 gamma_tr= 0.001577 meV omega= 9.4900 meV lambda( tot )= 0.122415 lambda_tr( tot )= 0.331499 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 90 coord.: 0.33333 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 91 coord.: 0.33333 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 92 coord.: 0.33333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145258 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 93 coord.: 0.33333 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 94 coord.: 0.33333 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 95 coord.: 0.33333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 96 coord.: 0.33333 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.065627 gamma= 0.006977 meV omega= 8.0792 meV lambda_tr( 1 )= 0.065627 gamma_tr= 0.006977 meV omega= 8.0792 meV lambda( 2 )= 0.001181 gamma= 0.000139 meV omega= 8.4924 meV lambda_tr( 2 )= 0.001181 gamma_tr= 0.000139 meV omega= 8.4924 meV lambda( 3 )= 0.008260 gamma= 0.001413 meV omega= 10.2476 meV lambda_tr( 3 )= 0.008260 gamma_tr= 0.001413 meV omega= 10.2476 meV lambda( tot )= 0.075069 lambda_tr( tot )= 0.075069 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 97 coord.: 0.33333 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.014562 gamma= 0.001284 meV omega= 7.3569 meV lambda_tr( 1 )= 0.041915 gamma_tr= 0.003695 meV omega= 7.3569 meV lambda( 2 )= 0.103832 gamma= 0.014741 meV omega= 9.3361 meV lambda_tr( 2 )= 0.278832 gamma_tr= 0.039586 meV omega= 9.3361 meV lambda( 3 )= 0.004021 gamma= 0.000590 meV omega= 9.4900 meV lambda_tr( 3 )= 0.010752 gamma_tr= 0.001577 meV omega= 9.4900 meV lambda( tot )= 0.122415 lambda_tr( tot )= 0.331499 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 98 coord.: 0.33333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 99 coord.: 0.33333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.014562 gamma= 0.001284 meV omega= 7.3569 meV lambda_tr( 1 )= 0.041915 gamma_tr= 0.003695 meV omega= 7.3569 meV lambda( 2 )= 0.103832 gamma= 0.014741 meV omega= 9.3361 meV lambda_tr( 2 )= 0.278832 gamma_tr= 0.039586 meV omega= 9.3361 meV lambda( 3 )= 0.004021 gamma= 0.000590 meV omega= 9.4900 meV lambda_tr( 3 )= 0.010752 gamma_tr= 0.001577 meV omega= 9.4900 meV lambda( tot )= 0.122415 lambda_tr( tot )= 0.331499 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 Progression iq (fine) = 100/ 216 ismear = 1 iq = 100 coord.: 0.33333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 101 coord.: 0.33333 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.014562 gamma= 0.001284 meV omega= 7.3569 meV lambda_tr( 1 )= 0.041915 gamma_tr= 0.003695 meV omega= 7.3569 meV lambda( 2 )= 0.103832 gamma= 0.014741 meV omega= 9.3361 meV lambda_tr( 2 )= 0.278832 gamma_tr= 0.039586 meV omega= 9.3361 meV lambda( 3 )= 0.004021 gamma= 0.000590 meV omega= 9.4900 meV lambda_tr( 3 )= 0.010752 gamma_tr= 0.001577 meV omega= 9.4900 meV lambda( tot )= 0.122415 lambda_tr( tot )= 0.331499 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 102 coord.: 0.33333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 103 coord.: 0.33333 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 104 coord.: 0.33333 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108866 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 105 coord.: 0.33333 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 106 coord.: 0.33333 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.065627 gamma= 0.006977 meV omega= 8.0792 meV lambda_tr( 1 )= 0.065627 gamma_tr= 0.006977 meV omega= 8.0792 meV lambda( 2 )= 0.001181 gamma= 0.000139 meV omega= 8.4924 meV lambda_tr( 2 )= 0.001181 gamma_tr= 0.000139 meV omega= 8.4924 meV lambda( 3 )= 0.008260 gamma= 0.001413 meV omega= 10.2476 meV lambda_tr( 3 )= 0.008260 gamma_tr= 0.001413 meV omega= 10.2476 meV lambda( tot )= 0.075069 lambda_tr( tot )= 0.075069 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 107 coord.: 0.33333 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 108 coord.: 0.33333 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156328 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 109 coord.: 0.50000 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.6766 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.6766 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.6766 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.6766 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5390 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5390 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 110 coord.: 0.50000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 111 coord.: 0.50000 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 112 coord.: 0.50000 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.019980 gamma= 0.001938 meV omega= 7.7175 meV lambda_tr( 1 )= 0.045490 gamma_tr= 0.004413 meV omega= 7.7175 meV lambda( 2 )= 0.019980 gamma= 0.001938 meV omega= 7.7175 meV lambda_tr( 2 )= 0.045490 gamma_tr= 0.004413 meV omega= 7.7175 meV lambda( 3 )= 0.208393 gamma= 0.042545 meV omega= 11.1957 meV lambda_tr( 3 )= 0.505025 gamma_tr= 0.103105 meV omega= 11.1957 meV lambda( tot )= 0.248353 lambda_tr( tot )= 0.596005 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 113 coord.: 0.50000 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 114 coord.: 0.50000 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 115 coord.: 0.50000 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 116 coord.: 0.50000 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 117 coord.: 0.50000 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 118 coord.: 0.50000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 119 coord.: 0.50000 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.065627 gamma= 0.006977 meV omega= 8.0792 meV lambda_tr( 1 )= 0.065627 gamma_tr= 0.006977 meV omega= 8.0792 meV lambda( 2 )= 0.001181 gamma= 0.000139 meV omega= 8.4924 meV lambda_tr( 2 )= 0.001181 gamma_tr= 0.000139 meV omega= 8.4924 meV lambda( 3 )= 0.008260 gamma= 0.001413 meV omega= 10.2476 meV lambda_tr( 3 )= 0.008260 gamma_tr= 0.001413 meV omega= 10.2476 meV lambda( tot )= 0.075069 lambda_tr( tot )= 0.075069 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 120 coord.: 0.50000 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 121 coord.: 0.50000 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 122 coord.: 0.50000 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145258 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 123 coord.: 0.50000 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 124 coord.: 0.50000 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 125 coord.: 0.50000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 126 coord.: 0.50000 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.065627 gamma= 0.006977 meV omega= 8.0792 meV lambda_tr( 1 )= 0.065627 gamma_tr= 0.006977 meV omega= 8.0792 meV lambda( 2 )= 0.001181 gamma= 0.000139 meV omega= 8.4924 meV lambda_tr( 2 )= 0.001181 gamma_tr= 0.000139 meV omega= 8.4924 meV lambda( 3 )= 0.008260 gamma= 0.001413 meV omega= 10.2476 meV lambda_tr( 3 )= 0.008260 gamma_tr= 0.001413 meV omega= 10.2476 meV lambda( tot )= 0.075069 lambda_tr( tot )= 0.075069 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 127 coord.: 0.50000 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.019980 gamma= 0.001938 meV omega= 7.7175 meV lambda_tr( 1 )= 0.045490 gamma_tr= 0.004413 meV omega= 7.7175 meV lambda( 2 )= 0.019980 gamma= 0.001938 meV omega= 7.7175 meV lambda_tr( 2 )= 0.045490 gamma_tr= 0.004413 meV omega= 7.7175 meV lambda( 3 )= 0.208393 gamma= 0.042545 meV omega= 11.1957 meV lambda_tr( 3 )= 0.505025 gamma_tr= 0.103105 meV omega= 11.1957 meV lambda( tot )= 0.248353 lambda_tr( tot )= 0.596005 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 128 coord.: 0.50000 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 129 coord.: 0.50000 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 130 coord.: 0.50000 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.6766 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.6766 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.6766 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.6766 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5390 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5390 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 131 coord.: 0.50000 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156328 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 132 coord.: 0.50000 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 133 coord.: 0.50000 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 134 coord.: 0.50000 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.065627 gamma= 0.006977 meV omega= 8.0792 meV lambda_tr( 1 )= 0.065627 gamma_tr= 0.006977 meV omega= 8.0792 meV lambda( 2 )= 0.001181 gamma= 0.000139 meV omega= 8.4924 meV lambda_tr( 2 )= 0.001181 gamma_tr= 0.000139 meV omega= 8.4924 meV lambda( 3 )= 0.008260 gamma= 0.001413 meV omega= 10.2476 meV lambda_tr( 3 )= 0.008260 gamma_tr= 0.001413 meV omega= 10.2476 meV lambda( tot )= 0.075069 lambda_tr( tot )= 0.075069 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 135 coord.: 0.50000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 136 coord.: 0.50000 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156328 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 137 coord.: 0.50000 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 138 coord.: 0.50000 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 139 coord.: 0.50000 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156328 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 140 coord.: 0.50000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 141 coord.: 0.50000 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.065627 gamma= 0.006977 meV omega= 8.0792 meV lambda_tr( 1 )= 0.065627 gamma_tr= 0.006977 meV omega= 8.0792 meV lambda( 2 )= 0.001181 gamma= 0.000139 meV omega= 8.4924 meV lambda_tr( 2 )= 0.001181 gamma_tr= 0.000139 meV omega= 8.4924 meV lambda( 3 )= 0.008260 gamma= 0.001413 meV omega= 10.2476 meV lambda_tr( 3 )= 0.008260 gamma_tr= 0.001413 meV omega= 10.2476 meV lambda( tot )= 0.075069 lambda_tr( tot )= 0.075069 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 142 coord.: 0.50000 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 143 coord.: 0.50000 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257539 lambda_tr( tot )= 0.145258 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 144 coord.: 0.50000 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 145 coord.: 0.66667 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 1 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 2 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 2 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 3 )= 0.228280 gamma= 0.031432 meV omega= 9.1943 meV lambda_tr( 3 )= -0.158961 gamma_tr= -0.021888 meV omega= 9.1943 meV lambda( tot )= 0.418258 lambda_tr( tot )= -0.368137 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 146 coord.: 0.66667 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 147 coord.: 0.66667 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.014562 gamma= 0.001284 meV omega= 7.3569 meV lambda_tr( 1 )= 0.041915 gamma_tr= 0.003695 meV omega= 7.3569 meV lambda( 2 )= 0.103832 gamma= 0.014741 meV omega= 9.3361 meV lambda_tr( 2 )= 0.278832 gamma_tr= 0.039586 meV omega= 9.3361 meV lambda( 3 )= 0.004021 gamma= 0.000590 meV omega= 9.4900 meV lambda_tr( 3 )= 0.010752 gamma_tr= 0.001577 meV omega= 9.4900 meV lambda( tot )= 0.122415 lambda_tr( tot )= 0.331499 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 148 coord.: 0.66667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 149 coord.: 0.66667 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.331688 gamma= 0.024294 meV omega= 6.7059 meV lambda_tr( 1 )= 0.331688 gamma_tr= 0.024294 meV omega= 6.7059 meV lambda( 2 )= 0.331688 gamma= 0.024294 meV omega= 6.7059 meV lambda_tr( 2 )= 0.331688 gamma_tr= 0.024294 meV omega= 6.7059 meV lambda( 3 )= 0.001510 gamma= 0.000256 meV omega= 10.1933 meV lambda_tr( 3 )= 0.001510 gamma_tr= 0.000256 meV omega= 10.1933 meV lambda( tot )= 0.664887 lambda_tr( tot )= 0.664887 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 150 coord.: 0.66667 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 151 coord.: 0.66667 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 152 coord.: 0.66667 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 153 coord.: 0.66667 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 154 coord.: 0.66667 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.065627 gamma= 0.006977 meV omega= 8.0792 meV lambda_tr( 1 )= 0.065627 gamma_tr= 0.006977 meV omega= 8.0792 meV lambda( 2 )= 0.001181 gamma= 0.000139 meV omega= 8.4924 meV lambda_tr( 2 )= 0.001181 gamma_tr= 0.000139 meV omega= 8.4924 meV lambda( 3 )= 0.008260 gamma= 0.001413 meV omega= 10.2476 meV lambda_tr( 3 )= 0.008260 gamma_tr= 0.001413 meV omega= 10.2476 meV lambda( tot )= 0.075069 lambda_tr( tot )= 0.075069 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 155 coord.: 0.66667 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 156 coord.: 0.66667 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 157 coord.: 0.66667 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.014562 gamma= 0.001284 meV omega= 7.3569 meV lambda_tr( 1 )= 0.041915 gamma_tr= 0.003695 meV omega= 7.3569 meV lambda( 2 )= 0.103832 gamma= 0.014741 meV omega= 9.3361 meV lambda_tr( 2 )= 0.278832 gamma_tr= 0.039586 meV omega= 9.3361 meV lambda( 3 )= 0.004021 gamma= 0.000590 meV omega= 9.4900 meV lambda_tr( 3 )= 0.010752 gamma_tr= 0.001577 meV omega= 9.4900 meV lambda( tot )= 0.122415 lambda_tr( tot )= 0.331498 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 158 coord.: 0.66667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 159 coord.: 0.66667 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.014562 gamma= 0.001284 meV omega= 7.3569 meV lambda_tr( 1 )= 0.041915 gamma_tr= 0.003695 meV omega= 7.3569 meV lambda( 2 )= 0.103832 gamma= 0.014741 meV omega= 9.3361 meV lambda_tr( 2 )= 0.278832 gamma_tr= 0.039586 meV omega= 9.3361 meV lambda( 3 )= 0.004021 gamma= 0.000590 meV omega= 9.4900 meV lambda_tr( 3 )= 0.010752 gamma_tr= 0.001577 meV omega= 9.4900 meV lambda( tot )= 0.122415 lambda_tr( tot )= 0.331499 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 160 coord.: 0.66667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 161 coord.: 0.66667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.014562 gamma= 0.001284 meV omega= 7.3569 meV lambda_tr( 1 )= 0.041915 gamma_tr= 0.003695 meV omega= 7.3569 meV lambda( 2 )= 0.103832 gamma= 0.014741 meV omega= 9.3361 meV lambda_tr( 2 )= 0.278832 gamma_tr= 0.039586 meV omega= 9.3361 meV lambda( 3 )= 0.004021 gamma= 0.000590 meV omega= 9.4900 meV lambda_tr( 3 )= 0.010752 gamma_tr= 0.001577 meV omega= 9.4900 meV lambda( tot )= 0.122415 lambda_tr( tot )= 0.331498 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 162 coord.: 0.66667 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 163 coord.: 0.66667 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 164 coord.: 0.66667 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.065627 gamma= 0.006977 meV omega= 8.0792 meV lambda_tr( 1 )= 0.065627 gamma_tr= 0.006977 meV omega= 8.0792 meV lambda( 2 )= 0.001181 gamma= 0.000139 meV omega= 8.4924 meV lambda_tr( 2 )= 0.001181 gamma_tr= 0.000139 meV omega= 8.4924 meV lambda( 3 )= 0.008260 gamma= 0.001413 meV omega= 10.2476 meV lambda_tr( 3 )= 0.008260 gamma_tr= 0.001413 meV omega= 10.2476 meV lambda( tot )= 0.075069 lambda_tr( tot )= 0.075069 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 165 coord.: 0.66667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 166 coord.: 0.66667 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156328 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 167 coord.: 0.66667 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 168 coord.: 0.66667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 169 coord.: 0.66667 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.331688 gamma= 0.024294 meV omega= 6.7059 meV lambda_tr( 1 )= 0.331688 gamma_tr= 0.024294 meV omega= 6.7059 meV lambda( 2 )= 0.331688 gamma= 0.024294 meV omega= 6.7059 meV lambda_tr( 2 )= 0.331688 gamma_tr= 0.024294 meV omega= 6.7059 meV lambda( 3 )= 0.001510 gamma= 0.000256 meV omega= 10.1933 meV lambda_tr( 3 )= 0.001510 gamma_tr= 0.000256 meV omega= 10.1933 meV lambda( tot )= 0.664887 lambda_tr( tot )= 0.664887 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 170 coord.: 0.66667 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 171 coord.: 0.66667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.014562 gamma= 0.001284 meV omega= 7.3569 meV lambda_tr( 1 )= 0.041915 gamma_tr= 0.003695 meV omega= 7.3569 meV lambda( 2 )= 0.103832 gamma= 0.014741 meV omega= 9.3361 meV lambda_tr( 2 )= 0.278832 gamma_tr= 0.039586 meV omega= 9.3361 meV lambda( 3 )= 0.004021 gamma= 0.000590 meV omega= 9.4900 meV lambda_tr( 3 )= 0.010752 gamma_tr= 0.001577 meV omega= 9.4900 meV lambda( tot )= 0.122415 lambda_tr( tot )= 0.331499 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 172 coord.: 0.66667 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 173 coord.: 0.66667 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 1 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 2 )= 0.094989 gamma= 0.005441 meV omega= 5.9304 meV lambda_tr( 2 )= -0.104588 gamma_tr= -0.005991 meV omega= 5.9304 meV lambda( 3 )= 0.228280 gamma= 0.031432 meV omega= 9.1943 meV lambda_tr( 3 )= -0.158961 gamma_tr= -0.021888 meV omega= 9.1943 meV lambda( tot )= 0.418258 lambda_tr( tot )= -0.368137 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 174 coord.: 0.66667 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 175 coord.: 0.66667 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 176 coord.: 0.66667 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108866 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 177 coord.: 0.66667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 178 coord.: 0.66667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108866 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 179 coord.: 0.66667 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 180 coord.: 0.66667 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.233591 gamma= 0.010910 meV omega= 5.3549 meV lambda_tr( 1 )= 0.210588 gamma_tr= 0.009836 meV omega= 5.3549 meV lambda( 2 )= 0.138508 gamma= 0.006739 meV omega= 5.4655 meV lambda_tr( 2 )= 0.122794 gamma_tr= 0.005975 meV omega= 5.4655 meV lambda( 3 )= 0.046109 gamma= 0.004740 meV omega= 7.9447 meV lambda_tr( 3 )= 0.042080 gamma_tr= 0.004326 meV omega= 7.9447 meV lambda( tot )= 0.418209 lambda_tr( tot )= 0.375462 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 181 coord.: 0.83333 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 5.3852 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 5.3852 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 182 coord.: 0.83333 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.233591 gamma= 0.010910 meV omega= 5.3549 meV lambda_tr( 1 )= 0.210588 gamma_tr= 0.009836 meV omega= 5.3549 meV lambda( 2 )= 0.138508 gamma= 0.006739 meV omega= 5.4655 meV lambda_tr( 2 )= 0.122794 gamma_tr= 0.005975 meV omega= 5.4655 meV lambda( 3 )= 0.046109 gamma= 0.004740 meV omega= 7.9447 meV lambda_tr( 3 )= 0.042080 gamma_tr= 0.004326 meV omega= 7.9447 meV lambda( tot )= 0.418209 lambda_tr( tot )= 0.375462 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 183 coord.: 0.83333 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 184 coord.: 0.83333 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156327 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 185 coord.: 0.83333 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 186 coord.: 0.83333 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.8973 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8973 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.8973 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8973 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 6.4212 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.4212 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 187 coord.: 0.83333 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.233591 gamma= 0.010910 meV omega= 5.3549 meV lambda_tr( 1 )= 0.210588 gamma_tr= 0.009836 meV omega= 5.3549 meV lambda( 2 )= 0.138508 gamma= 0.006739 meV omega= 5.4655 meV lambda_tr( 2 )= 0.122794 gamma_tr= 0.005975 meV omega= 5.4655 meV lambda( 3 )= 0.046109 gamma= 0.004740 meV omega= 7.9447 meV lambda_tr( 3 )= 0.042080 gamma_tr= 0.004326 meV omega= 7.9447 meV lambda( tot )= 0.418209 lambda_tr( tot )= 0.375462 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 188 coord.: 0.83333 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 189 coord.: 0.83333 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053492 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257539 lambda_tr( tot )= 0.145258 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 190 coord.: 0.83333 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 191 coord.: 0.83333 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145258 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 192 coord.: 0.83333 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 193 coord.: 0.83333 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 194 coord.: 0.83333 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108867 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257539 lambda_tr( tot )= 0.145258 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 195 coord.: 0.83333 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 196 coord.: 0.83333 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.065627 gamma= 0.006977 meV omega= 8.0792 meV lambda_tr( 1 )= 0.065627 gamma_tr= 0.006977 meV omega= 8.0792 meV lambda( 2 )= 0.001181 gamma= 0.000139 meV omega= 8.4924 meV lambda_tr( 2 )= 0.001181 gamma_tr= 0.000139 meV omega= 8.4924 meV lambda( 3 )= 0.008260 gamma= 0.001413 meV omega= 10.2476 meV lambda_tr( 3 )= 0.008260 gamma_tr= 0.001413 meV omega= 10.2476 meV lambda( tot )= 0.075069 lambda_tr( tot )= 0.075069 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 197 coord.: 0.83333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 198 coord.: 0.83333 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156328 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 199 coord.: 0.83333 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156328 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 Progression iq (fine) = 200/ 216 ismear = 1 iq = 200 coord.: 0.83333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 201 coord.: 0.83333 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.065627 gamma= 0.006977 meV omega= 8.0792 meV lambda_tr( 1 )= 0.065627 gamma_tr= 0.006977 meV omega= 8.0792 meV lambda( 2 )= 0.001181 gamma= 0.000139 meV omega= 8.4924 meV lambda_tr( 2 )= 0.001181 gamma_tr= 0.000139 meV omega= 8.4924 meV lambda( 3 )= 0.008260 gamma= 0.001413 meV omega= 10.2476 meV lambda_tr( 3 )= 0.008260 gamma_tr= 0.001413 meV omega= 10.2476 meV lambda( tot )= 0.075069 lambda_tr( tot )= 0.075069 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 202 coord.: 0.83333 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 7.4018 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 7.4018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.0883 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.0883 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 10.5654 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 10.5654 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 203 coord.: 0.83333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108866 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 204 coord.: 0.83333 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 205 coord.: 0.83333 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 206 coord.: 0.83333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108866 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 207 coord.: 0.83333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 7.6037 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 7.6037 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 8.7521 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 8.7521 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8455 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8455 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 208 coord.: 0.83333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053491 gamma= 0.004452 meV omega= 7.1481 meV lambda_tr( 1 )= 0.043653 gamma_tr= 0.003633 meV omega= 7.1481 meV lambda( 2 )= 0.134346 gamma= 0.012504 meV omega= 7.5592 meV lambda_tr( 2 )= -0.007262 gamma_tr= -0.000676 meV omega= 7.5592 meV lambda( 3 )= 0.069702 gamma= 0.011220 meV omega= 9.9412 meV lambda_tr( 3 )= 0.108866 gamma_tr= 0.017524 meV omega= 9.9412 meV lambda( tot )= 0.257538 lambda_tr( tot )= 0.145257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 209 coord.: 0.83333 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 210 coord.: 0.83333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.233591 gamma= 0.010910 meV omega= 5.3549 meV lambda_tr( 1 )= 0.210588 gamma_tr= 0.009836 meV omega= 5.3549 meV lambda( 2 )= 0.138508 gamma= 0.006739 meV omega= 5.4655 meV lambda_tr( 2 )= 0.122793 gamma_tr= 0.005975 meV omega= 5.4655 meV lambda( 3 )= 0.046109 gamma= 0.004740 meV omega= 7.9447 meV lambda_tr( 3 )= 0.042080 gamma_tr= 0.004326 meV omega= 7.9447 meV lambda( tot )= 0.418208 lambda_tr( tot )= 0.375462 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 211 coord.: 0.83333 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.8973 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8973 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.8973 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8973 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 6.4212 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.4212 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 212 coord.: 0.83333 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000001 gamma= 0.000000 meV omega= 5.8119 meV lambda_tr( 1 )= 0.000001 gamma_tr= 0.000000 meV omega= 5.8119 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 6.1615 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.1615 meV lambda( 3 )= 0.000001 gamma= 0.000000 meV omega= 8.9711 meV lambda_tr( 3 )= 0.000001 gamma_tr= 0.000000 meV omega= 8.9711 meV lambda( tot )= 0.000001 lambda_tr( tot )= 0.000001 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 213 coord.: 0.83333 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.154590 gamma= 0.011909 meV omega= 6.8772 meV lambda_tr( 1 )= 0.156328 gamma_tr= 0.012043 meV omega= 6.8772 meV lambda( 2 )= 0.005629 gamma= 0.000527 meV omega= 7.5803 meV lambda_tr( 2 )= 0.000477 gamma_tr= 0.000045 meV omega= 7.5803 meV lambda( 3 )= 0.043786 gamma= 0.007486 meV omega= 10.2450 meV lambda_tr( 3 )= -0.007088 gamma_tr= -0.001212 meV omega= 10.2450 meV lambda( tot )= 0.204005 lambda_tr( tot )= 0.149716 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 214 coord.: 0.83333 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 6.7600 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 6.7600 meV lambda( 2 )= -0.000000 gamma= -0.000000 meV omega= 7.2526 meV lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 7.2526 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 9.8847 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.8847 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 215 coord.: 0.83333 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.233591 gamma= 0.010910 meV omega= 5.3549 meV lambda_tr( 1 )= 0.210588 gamma_tr= 0.009836 meV omega= 5.3549 meV lambda( 2 )= 0.138508 gamma= 0.006739 meV omega= 5.4655 meV lambda_tr( 2 )= 0.122794 gamma_tr= 0.005975 meV omega= 5.4655 meV lambda( 3 )= 0.046109 gamma= 0.004740 meV omega= 7.9447 meV lambda_tr( 3 )= 0.042080 gamma_tr= 0.004326 meV omega= 7.9447 meV lambda( tot )= 0.418208 lambda_tr( tot )= 0.375462 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 216 coord.: 0.83333 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.5890 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.5890 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 5.3852 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 5.3852 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 Average over degenerate eigenstates is performed WARNING: only the eigenstates within the Fermi window are meaningful ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= 6.8767 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000 E( 3 )= 6.8767 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000 E( 4 )= 6.8767 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= 4.0815 eV Re[Sigma]= 25.083660 meV Im[Sigma]= 57.337945 meV Z= 0.968970 lam= 0.032024 E( 3 )= 6.4242 eV Re[Sigma]= 23.597491 meV Im[Sigma]= 34.792033 meV Z= 1.212367 lam= -0.175167 E( 4 )= 6.4242 eV Re[Sigma]= 23.597491 meV Im[Sigma]= 34.792033 meV Z= 1.212367 lam= -0.175167 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.0100 eV Re[Sigma]= -10.147899 meV Im[Sigma]= 94.858989 meV Z= 1.306891 lam= -0.234825 E( 3 )= 5.4522 eV Re[Sigma]= 35.951145 meV Im[Sigma]= 66.193718 meV Z= 1.502559 lam= -0.334469 E( 4 )= 5.4522 eV Re[Sigma]= 35.951145 meV Im[Sigma]= 66.193718 meV Z= 1.502559 lam= -0.334469 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -6.1055 eV Re[Sigma]= -18.620874 meV Im[Sigma]= 0.046120 meV Z= 0.994477 lam= 0.005554 E( 3 )= 4.9328 eV Re[Sigma]= 26.727171 meV Im[Sigma]= 31.297930 meV Z= 1.106489 lam= -0.096241 E( 4 )= 4.9328 eV Re[Sigma]= 26.727171 meV Im[Sigma]= 31.297930 meV Z= 1.106489 lam= -0.096241 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.0100 eV Re[Sigma]= -10.147902 meV Im[Sigma]= 94.858991 meV Z= 1.306891 lam= -0.234825 E( 3 )= 5.4522 eV Re[Sigma]= 35.951150 meV Im[Sigma]= 66.193708 meV Z= 1.502559 lam= -0.334469 E( 4 )= 5.4522 eV Re[Sigma]= 35.951150 meV Im[Sigma]= 66.193708 meV Z= 1.502559 lam= -0.334469 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= 4.0815 eV Re[Sigma]= 25.083684 meV Im[Sigma]= 57.337952 meV Z= 0.968970 lam= 0.032024 E( 3 )= 6.4242 eV Re[Sigma]= 23.597499 meV Im[Sigma]= 34.792024 meV Z= 1.212367 lam= -0.175167 E( 4 )= 6.4242 eV Re[Sigma]= 23.597499 meV Im[Sigma]= 34.792024 meV Z= 1.212367 lam= -0.175167 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.0815 eV Re[Sigma]= 25.083663 meV Im[Sigma]= 57.337940 meV Z= 0.968970 lam= 0.032024 E( 3 )= 6.4242 eV Re[Sigma]= 23.597492 meV Im[Sigma]= 34.792036 meV Z= 1.212367 lam= -0.175167 E( 4 )= 6.4242 eV Re[Sigma]= 23.597492 meV Im[Sigma]= 34.792036 meV Z= 1.212367 lam= -0.175167 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= 4.7407 eV Re[Sigma]= 25.700853 meV Im[Sigma]= 6.149002 meV Z= 0.954574 lam= 0.047588 E( 3 )= 5.4498 eV Re[Sigma]= 32.984555 meV Im[Sigma]= 69.185012 meV Z= 1.538034 lam= -0.349819 E( 4 )= 5.4498 eV Re[Sigma]= 32.984555 meV Im[Sigma]= 69.185012 meV Z= 1.538034 lam= -0.349819 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206729 meV Im[Sigma]= 49.156378 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781349 meV Im[Sigma]= 76.678303 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625620 meV Im[Sigma]= 47.278867 meV Z= 1.210523 lam= -0.173911 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427783 meV Im[Sigma]= 95.880215 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586463 meV Im[Sigma]= 109.898493 meV Z= 1.805272 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459130 meV Im[Sigma]= 102.333887 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776460 meV Im[Sigma]= 176.652402 meV Z= 3.973895 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070758 meV Im[Sigma]= 185.233357 meV Z= 2.820595 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560343 meV Im[Sigma]= 45.015907 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 1.4843 eV Re[Sigma]= 1.934346 meV Im[Sigma]= 23.650235 meV Z= 1.065673 lam= -0.061626 E( 3 )= 3.9744 eV Re[Sigma]= 20.223341 meV Im[Sigma]= 155.735192 meV Z= 2.162194 lam= -0.537507 E( 4 )= 6.2138 eV Re[Sigma]= 14.358408 meV Im[Sigma]= 1.213560 meV Z= 0.987510 lam= 0.012647 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.0100 eV Re[Sigma]= -10.147899 meV Im[Sigma]= 94.858989 meV Z= 1.306891 lam= -0.234825 E( 3 )= 5.4522 eV Re[Sigma]= 35.951145 meV Im[Sigma]= 66.193717 meV Z= 1.502559 lam= -0.334469 E( 4 )= 5.4522 eV Re[Sigma]= 35.951145 meV Im[Sigma]= 66.193717 meV Z= 1.502559 lam= -0.334469 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206728 meV Im[Sigma]= 49.156379 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781346 meV Im[Sigma]= 76.678303 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625620 meV Im[Sigma]= 47.278859 meV Z= 1.210523 lam= -0.173911 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -0.4910 eV Re[Sigma]= -21.832019 meV Im[Sigma]= 8.604783 meV Z= 0.951512 lam= 0.050959 E( 3 )= 2.4543 eV Re[Sigma]= -40.071524 meV Im[Sigma]= 95.932943 meV Z= 1.283075 lam= -0.220623 E( 4 )= 2.4543 eV Re[Sigma]= -40.071524 meV Im[Sigma]= 95.932943 meV Z= 1.283075 lam= -0.220623 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225408 meV Im[Sigma]= 149.971344 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721771 meV Im[Sigma]= 122.143421 meV Z= 2.294343 lam= -0.564145 E( 4 )= 1.9142 eV Re[Sigma]= -3.682655 meV Im[Sigma]= 60.724178 meV Z= 1.366289 lam= -0.268090 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2936 eV Re[Sigma]= -42.694042 meV Im[Sigma]= 71.631439 meV Z= 1.350362 lam= -0.259458 E( 3 )= -2.0528 eV Re[Sigma]= -33.009310 meV Im[Sigma]= 113.118514 meV Z= 1.553931 lam= -0.356471 E( 4 )= 3.1848 eV Re[Sigma]= 33.064792 meV Im[Sigma]= 100.817309 meV Z= 1.429700 lam= -0.300552 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776464 meV Im[Sigma]= 176.652409 meV Z= 3.973895 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070744 meV Im[Sigma]= 185.233356 meV Z= 2.820594 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560352 meV Im[Sigma]= 45.015903 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -6.1055 eV Re[Sigma]= -18.620871 meV Im[Sigma]= 0.046120 meV Z= 0.994477 lam= 0.005554 E( 3 )= 4.9328 eV Re[Sigma]= 26.727169 meV Im[Sigma]= 31.297921 meV Z= 1.106489 lam= -0.096241 E( 4 )= 4.9328 eV Re[Sigma]= 26.727169 meV Im[Sigma]= 31.297921 meV Z= 1.106489 lam= -0.096241 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427783 meV Im[Sigma]= 95.880219 meV Z= 2.046117 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586465 meV Im[Sigma]= 109.898491 meV Z= 1.805272 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459118 meV Im[Sigma]= 102.333879 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225409 meV Im[Sigma]= 149.971367 meV Z= 2.398009 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721770 meV Im[Sigma]= 122.143421 meV Z= 2.294343 lam= -0.564145 E( 4 )= 1.9142 eV Re[Sigma]= -3.682661 meV Im[Sigma]= 60.724179 meV Z= 1.366289 lam= -0.268090 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.9439 eV Re[Sigma]= -38.600628 meV Im[Sigma]= 0.305518 meV Z= 0.952931 lam= 0.049394 E( 3 )= 0.8858 eV Re[Sigma]= -33.621458 meV Im[Sigma]= 89.895243 meV Z= 1.171836 lam= -0.146638 E( 4 )= 0.8858 eV Re[Sigma]= -33.621458 meV Im[Sigma]= 89.895243 meV Z= 1.171836 lam= -0.146638 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225393 meV Im[Sigma]= 149.971301 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721795 meV Im[Sigma]= 122.143482 meV Z= 2.294345 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682658 meV Im[Sigma]= 60.724184 meV Z= 1.366289 lam= -0.268090 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427778 meV Im[Sigma]= 95.880222 meV Z= 2.046117 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586459 meV Im[Sigma]= 109.898527 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459113 meV Im[Sigma]= 102.333916 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.0100 eV Re[Sigma]= -10.147904 meV Im[Sigma]= 94.858992 meV Z= 1.306891 lam= -0.234825 E( 3 )= 5.4522 eV Re[Sigma]= 35.951157 meV Im[Sigma]= 66.193758 meV Z= 1.502559 lam= -0.334469 E( 4 )= 5.4522 eV Re[Sigma]= 35.951157 meV Im[Sigma]= 66.193758 meV Z= 1.502559 lam= -0.334469 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776459 meV Im[Sigma]= 176.652402 meV Z= 3.973895 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070765 meV Im[Sigma]= 185.233386 meV Z= 2.820595 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560350 meV Im[Sigma]= 45.015943 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2936 eV Re[Sigma]= -42.694041 meV Im[Sigma]= 71.631439 meV Z= 1.350362 lam= -0.259458 E( 3 )= -2.0528 eV Re[Sigma]= -33.009318 meV Im[Sigma]= 113.118519 meV Z= 1.553931 lam= -0.356471 E( 4 )= 3.1848 eV Re[Sigma]= 33.064793 meV Im[Sigma]= 100.817328 meV Z= 1.429700 lam= -0.300552 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225390 meV Im[Sigma]= 149.971319 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721797 meV Im[Sigma]= 122.143505 meV Z= 2.294346 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682668 meV Im[Sigma]= 60.724244 meV Z= 1.366290 lam= -0.268091 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -0.4910 eV Re[Sigma]= -21.831994 meV Im[Sigma]= 8.604780 meV Z= 0.951512 lam= 0.050959 E( 3 )= 2.4543 eV Re[Sigma]= -40.071559 meV Im[Sigma]= 95.933014 meV Z= 1.283076 lam= -0.220623 E( 4 )= 2.4543 eV Re[Sigma]= -40.071559 meV Im[Sigma]= 95.933014 meV Z= 1.283076 lam= -0.220623 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206730 meV Im[Sigma]= 49.156378 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781359 meV Im[Sigma]= 76.678371 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625628 meV Im[Sigma]= 47.278924 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.0815 eV Re[Sigma]= 25.083676 meV Im[Sigma]= 57.337955 meV Z= 0.968970 lam= 0.032024 E( 3 )= 6.4242 eV Re[Sigma]= 23.597505 meV Im[Sigma]= 34.792048 meV Z= 1.212367 lam= -0.175167 E( 4 )= 6.4242 eV Re[Sigma]= 23.597505 meV Im[Sigma]= 34.792048 meV Z= 1.212367 lam= -0.175167 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 1.4843 eV Re[Sigma]= 1.934346 meV Im[Sigma]= 23.650232 meV Z= 1.065673 lam= -0.061626 E( 3 )= 3.9744 eV Re[Sigma]= 20.223335 meV Im[Sigma]= 155.735238 meV Z= 2.162195 lam= -0.537507 E( 4 )= 6.2138 eV Re[Sigma]= 14.358412 meV Im[Sigma]= 1.213564 meV Z= 0.987510 lam= 0.012647 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776463 meV Im[Sigma]= 176.652415 meV Z= 3.973896 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070749 meV Im[Sigma]= 185.233430 meV Z= 2.820597 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560363 meV Im[Sigma]= 45.015928 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427783 meV Im[Sigma]= 95.880227 meV Z= 2.046117 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586455 meV Im[Sigma]= 109.898551 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459120 meV Im[Sigma]= 102.333964 meV Z= 1.596217 lam= -0.373519 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206730 meV Im[Sigma]= 49.156379 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781369 meV Im[Sigma]= 76.678365 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625629 meV Im[Sigma]= 47.278937 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= 4.7407 eV Re[Sigma]= 25.700872 meV Im[Sigma]= 6.149009 meV Z= 0.954573 lam= 0.047588 E( 3 )= 5.4498 eV Re[Sigma]= 32.984582 meV Im[Sigma]= 69.185067 meV Z= 1.538035 lam= -0.349820 E( 4 )= 5.4498 eV Re[Sigma]= 32.984582 meV Im[Sigma]= 69.185067 meV Z= 1.538035 lam= -0.349820 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.0815 eV Re[Sigma]= 25.083665 meV Im[Sigma]= 57.337945 meV Z= 0.968970 lam= 0.032024 E( 3 )= 6.4242 eV Re[Sigma]= 23.597492 meV Im[Sigma]= 34.792034 meV Z= 1.212367 lam= -0.175167 E( 4 )= 6.4242 eV Re[Sigma]= 23.597492 meV Im[Sigma]= 34.792034 meV Z= 1.212367 lam= -0.175167 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= 4.7407 eV Re[Sigma]= 25.700853 meV Im[Sigma]= 6.149003 meV Z= 0.954574 lam= 0.047588 E( 3 )= 5.4498 eV Re[Sigma]= 32.984557 meV Im[Sigma]= 69.185018 meV Z= 1.538034 lam= -0.349819 E( 4 )= 5.4498 eV Re[Sigma]= 32.984557 meV Im[Sigma]= 69.185018 meV Z= 1.538034 lam= -0.349819 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206728 meV Im[Sigma]= 49.156375 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781347 meV Im[Sigma]= 76.678305 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625624 meV Im[Sigma]= 47.278873 meV Z= 1.210523 lam= -0.173911 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427784 meV Im[Sigma]= 95.880212 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586464 meV Im[Sigma]= 109.898503 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459133 meV Im[Sigma]= 102.333895 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776458 meV Im[Sigma]= 176.652407 meV Z= 3.973896 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070756 meV Im[Sigma]= 185.233357 meV Z= 2.820595 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560355 meV Im[Sigma]= 45.015942 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= 1.4843 eV Re[Sigma]= 1.934344 meV Im[Sigma]= 23.650234 meV Z= 1.065673 lam= -0.061626 E( 3 )= 3.9744 eV Re[Sigma]= 20.223322 meV Im[Sigma]= 155.735212 meV Z= 2.162195 lam= -0.537507 E( 4 )= 6.2138 eV Re[Sigma]= 14.358411 meV Im[Sigma]= 1.213562 meV Z= 0.987510 lam= 0.012647 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.7407 eV Re[Sigma]= 25.700853 meV Im[Sigma]= 6.149003 meV Z= 0.954574 lam= 0.047588 E( 3 )= 5.4498 eV Re[Sigma]= 32.984554 meV Im[Sigma]= 69.185010 meV Z= 1.538034 lam= -0.349819 E( 4 )= 5.4498 eV Re[Sigma]= 32.984554 meV Im[Sigma]= 69.185010 meV Z= 1.538034 lam= -0.349819 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= 4.0815 eV Re[Sigma]= 25.083658 meV Im[Sigma]= 57.337932 meV Z= 0.968970 lam= 0.032024 E( 3 )= 6.4242 eV Re[Sigma]= 23.597491 meV Im[Sigma]= 34.792035 meV Z= 1.212367 lam= -0.175167 E( 4 )= 6.4242 eV Re[Sigma]= 23.597491 meV Im[Sigma]= 34.792035 meV Z= 1.212367 lam= -0.175167 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= 1.4843 eV Re[Sigma]= 1.934346 meV Im[Sigma]= 23.650234 meV Z= 1.065673 lam= -0.061626 E( 3 )= 3.9744 eV Re[Sigma]= 20.223320 meV Im[Sigma]= 155.735146 meV Z= 2.162193 lam= -0.537507 E( 4 )= 6.2138 eV Re[Sigma]= 14.358406 meV Im[Sigma]= 1.213560 meV Z= 0.987510 lam= 0.012647 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776465 meV Im[Sigma]= 176.652416 meV Z= 3.973896 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070756 meV Im[Sigma]= 185.233331 meV Z= 2.820594 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560348 meV Im[Sigma]= 45.015903 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427781 meV Im[Sigma]= 95.880201 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586457 meV Im[Sigma]= 109.898529 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459130 meV Im[Sigma]= 102.333899 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206730 meV Im[Sigma]= 49.156378 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781347 meV Im[Sigma]= 76.678315 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625616 meV Im[Sigma]= 47.278881 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206727 meV Im[Sigma]= 49.156374 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781344 meV Im[Sigma]= 76.678296 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625621 meV Im[Sigma]= 47.278865 meV Z= 1.210523 lam= -0.173911 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 1.4843 eV Re[Sigma]= 1.934346 meV Im[Sigma]= 23.650233 meV Z= 1.065673 lam= -0.061626 E( 3 )= 3.9744 eV Re[Sigma]= 20.223315 meV Im[Sigma]= 155.735146 meV Z= 2.162194 lam= -0.537507 E( 4 )= 6.2138 eV Re[Sigma]= 14.358406 meV Im[Sigma]= 1.213560 meV Z= 0.987510 lam= 0.012647 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206727 meV Im[Sigma]= 49.156383 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781343 meV Im[Sigma]= 76.678306 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625619 meV Im[Sigma]= 47.278861 meV Z= 1.210523 lam= -0.173911 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408911 meV Im[Sigma]= 71.191964 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431041 meV Im[Sigma]= 174.632084 meV Z= 3.280627 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499064 meV Im[Sigma]= 83.813895 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100885 meV Im[Sigma]= 122.150344 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040353 meV Im[Sigma]= 114.335431 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217690 meV Im[Sigma]= 178.883727 meV Z= 2.651222 lam= -0.622815 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408908 meV Im[Sigma]= 71.191954 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431044 meV Im[Sigma]= 174.632117 meV Z= 3.280628 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499065 meV Im[Sigma]= 83.813897 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427781 meV Im[Sigma]= 95.880216 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586462 meV Im[Sigma]= 109.898483 meV Z= 1.805272 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459117 meV Im[Sigma]= 102.333874 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776457 meV Im[Sigma]= 176.652402 meV Z= 3.973895 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070747 meV Im[Sigma]= 185.233314 meV Z= 2.820594 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560349 meV Im[Sigma]= 45.015906 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408902 meV Im[Sigma]= 71.191962 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431039 meV Im[Sigma]= 174.632073 meV Z= 3.280627 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499062 meV Im[Sigma]= 83.813902 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225411 meV Im[Sigma]= 149.971346 meV Z= 2.398009 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721772 meV Im[Sigma]= 122.143438 meV Z= 2.294344 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682658 meV Im[Sigma]= 60.724175 meV Z= 1.366289 lam= -0.268090 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -36.377995 meV Im[Sigma]= 73.507060 meV Z= 1.067886 lam= -0.063570 E( 3 )= -0.6178 eV Re[Sigma]= -38.727757 meV Im[Sigma]= 44.652729 meV Z= 1.189550 lam= -0.159346 E( 4 )= 1.0481 eV Re[Sigma]= 55.458897 meV Im[Sigma]= 132.345708 meV Z= 1.426234 lam= -0.298853 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100875 meV Im[Sigma]= 122.150303 meV Z= 1.941540 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040360 meV Im[Sigma]= 114.335432 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217700 meV Im[Sigma]= 178.883712 meV Z= 2.651221 lam= -0.622815 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776463 meV Im[Sigma]= 176.652405 meV Z= 3.973895 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070766 meV Im[Sigma]= 185.233352 meV Z= 2.820594 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560350 meV Im[Sigma]= 45.015930 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427777 meV Im[Sigma]= 95.880202 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586451 meV Im[Sigma]= 109.898554 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459127 meV Im[Sigma]= 102.333917 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100878 meV Im[Sigma]= 122.150325 meV Z= 1.941540 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040362 meV Im[Sigma]= 114.335443 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217692 meV Im[Sigma]= 178.883715 meV Z= 2.651221 lam= -0.622815 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -36.377995 meV Im[Sigma]= 73.507074 meV Z= 1.067886 lam= -0.063570 E( 3 )= -0.6178 eV Re[Sigma]= -38.727757 meV Im[Sigma]= 44.652733 meV Z= 1.189550 lam= -0.159346 E( 4 )= 1.0481 eV Re[Sigma]= 55.458910 meV Im[Sigma]= 132.345737 meV Z= 1.426234 lam= -0.298853 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225393 meV Im[Sigma]= 149.971299 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721792 meV Im[Sigma]= 122.143497 meV Z= 2.294345 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682663 meV Im[Sigma]= 60.724217 meV Z= 1.366289 lam= -0.268091 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408913 meV Im[Sigma]= 71.191932 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431063 meV Im[Sigma]= 174.632185 meV Z= 3.280631 lam= -0.695181 E( 4 )= 3.6115 eV Re[Sigma]= 5.499052 meV Im[Sigma]= 83.813929 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 1.4843 eV Re[Sigma]= 1.934346 meV Im[Sigma]= 23.650229 meV Z= 1.065673 lam= -0.061626 E( 3 )= 3.9744 eV Re[Sigma]= 20.223335 meV Im[Sigma]= 155.735220 meV Z= 2.162195 lam= -0.537507 E( 4 )= 6.2138 eV Re[Sigma]= 14.358413 meV Im[Sigma]= 1.213562 meV Z= 0.987510 lam= 0.012647 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206727 meV Im[Sigma]= 49.156368 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781359 meV Im[Sigma]= 76.678333 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625628 meV Im[Sigma]= 47.278893 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408909 meV Im[Sigma]= 71.191952 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431052 meV Im[Sigma]= 174.632155 meV Z= 3.280630 lam= -0.695181 E( 4 )= 3.6115 eV Re[Sigma]= 5.499063 meV Im[Sigma]= 83.813923 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100880 meV Im[Sigma]= 122.150364 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040363 meV Im[Sigma]= 114.335452 meV Z= 2.035235 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217721 meV Im[Sigma]= 178.883777 meV Z= 2.651222 lam= -0.622815 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408907 meV Im[Sigma]= 71.191937 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431061 meV Im[Sigma]= 174.632152 meV Z= 3.280630 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499064 meV Im[Sigma]= 83.813966 meV Z= 1.512533 lam= -0.338857 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206726 meV Im[Sigma]= 49.156378 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781364 meV Im[Sigma]= 76.678352 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625631 meV Im[Sigma]= 47.278915 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.0100 eV Re[Sigma]= -10.147899 meV Im[Sigma]= 94.858992 meV Z= 1.306891 lam= -0.234825 E( 3 )= 5.4522 eV Re[Sigma]= 35.951145 meV Im[Sigma]= 66.193719 meV Z= 1.502559 lam= -0.334469 E( 4 )= 5.4522 eV Re[Sigma]= 35.951145 meV Im[Sigma]= 66.193719 meV Z= 1.502559 lam= -0.334469 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206727 meV Im[Sigma]= 49.156376 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781345 meV Im[Sigma]= 76.678304 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625622 meV Im[Sigma]= 47.278870 meV Z= 1.210523 lam= -0.173911 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -0.4910 eV Re[Sigma]= -21.832019 meV Im[Sigma]= 8.604783 meV Z= 0.951512 lam= 0.050959 E( 3 )= 2.4543 eV Re[Sigma]= -40.071524 meV Im[Sigma]= 95.932944 meV Z= 1.283075 lam= -0.220623 E( 4 )= 2.4543 eV Re[Sigma]= -40.071524 meV Im[Sigma]= 95.932944 meV Z= 1.283075 lam= -0.220623 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225404 meV Im[Sigma]= 149.971346 meV Z= 2.398009 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721771 meV Im[Sigma]= 122.143426 meV Z= 2.294343 lam= -0.564145 E( 4 )= 1.9142 eV Re[Sigma]= -3.682657 meV Im[Sigma]= 60.724177 meV Z= 1.366289 lam= -0.268090 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2936 eV Re[Sigma]= -42.694038 meV Im[Sigma]= 71.631441 meV Z= 1.350362 lam= -0.259458 E( 3 )= -2.0528 eV Re[Sigma]= -33.009311 meV Im[Sigma]= 113.118516 meV Z= 1.553931 lam= -0.356471 E( 4 )= 3.1848 eV Re[Sigma]= 33.064794 meV Im[Sigma]= 100.817325 meV Z= 1.429700 lam= -0.300552 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776462 meV Im[Sigma]= 176.652409 meV Z= 3.973896 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070759 meV Im[Sigma]= 185.233350 meV Z= 2.820595 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560358 meV Im[Sigma]= 45.015914 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206727 meV Im[Sigma]= 49.156373 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781346 meV Im[Sigma]= 76.678298 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625621 meV Im[Sigma]= 47.278865 meV Z= 1.210523 lam= -0.173911 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= 1.4843 eV Re[Sigma]= 1.934347 meV Im[Sigma]= 23.650234 meV Z= 1.065673 lam= -0.061626 E( 3 )= 3.9744 eV Re[Sigma]= 20.223313 meV Im[Sigma]= 155.735137 meV Z= 2.162193 lam= -0.537507 E( 4 )= 6.2138 eV Re[Sigma]= 14.358405 meV Im[Sigma]= 1.213561 meV Z= 0.987510 lam= 0.012647 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206726 meV Im[Sigma]= 49.156378 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781343 meV Im[Sigma]= 76.678298 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625618 meV Im[Sigma]= 47.278857 meV Z= 1.210523 lam= -0.173911 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408911 meV Im[Sigma]= 71.191963 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431040 meV Im[Sigma]= 174.632084 meV Z= 3.280627 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499063 meV Im[Sigma]= 83.813894 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100882 meV Im[Sigma]= 122.150367 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040350 meV Im[Sigma]= 114.335441 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217691 meV Im[Sigma]= 178.883750 meV Z= 2.651222 lam= -0.622816 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408908 meV Im[Sigma]= 71.191954 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431046 meV Im[Sigma]= 174.632080 meV Z= 3.280627 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499064 meV Im[Sigma]= 83.813911 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -0.4910 eV Re[Sigma]= -21.832019 meV Im[Sigma]= 8.604783 meV Z= 0.951512 lam= 0.050959 E( 3 )= 2.4543 eV Re[Sigma]= -40.071523 meV Im[Sigma]= 95.932943 meV Z= 1.283075 lam= -0.220623 E( 4 )= 2.4543 eV Re[Sigma]= -40.071523 meV Im[Sigma]= 95.932943 meV Z= 1.283075 lam= -0.220623 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206727 meV Im[Sigma]= 49.156385 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781343 meV Im[Sigma]= 76.678307 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625617 meV Im[Sigma]= 47.278859 meV Z= 1.210523 lam= -0.173911 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.0100 eV Re[Sigma]= -10.147900 meV Im[Sigma]= 94.858994 meV Z= 1.306891 lam= -0.234825 E( 3 )= 5.4522 eV Re[Sigma]= 35.951144 meV Im[Sigma]= 66.193715 meV Z= 1.502559 lam= -0.334469 E( 4 )= 5.4522 eV Re[Sigma]= 35.951144 meV Im[Sigma]= 66.193715 meV Z= 1.502559 lam= -0.334469 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776463 meV Im[Sigma]= 176.652421 meV Z= 3.973897 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070753 meV Im[Sigma]= 185.233309 meV Z= 2.820593 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560347 meV Im[Sigma]= 45.015900 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2936 eV Re[Sigma]= -42.694044 meV Im[Sigma]= 71.631441 meV Z= 1.350362 lam= -0.259458 E( 3 )= -2.0528 eV Re[Sigma]= -33.009304 meV Im[Sigma]= 113.118517 meV Z= 1.553931 lam= -0.356471 E( 4 )= 3.1848 eV Re[Sigma]= 33.064800 meV Im[Sigma]= 100.817327 meV Z= 1.429700 lam= -0.300552 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225402 meV Im[Sigma]= 149.971334 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721776 meV Im[Sigma]= 122.143424 meV Z= 2.294343 lam= -0.564145 E( 4 )= 1.9142 eV Re[Sigma]= -3.682658 meV Im[Sigma]= 60.724186 meV Z= 1.366289 lam= -0.268090 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225409 meV Im[Sigma]= 149.971360 meV Z= 2.398009 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721773 meV Im[Sigma]= 122.143425 meV Z= 2.294343 lam= -0.564145 E( 4 )= 1.9142 eV Re[Sigma]= -3.682660 meV Im[Sigma]= 60.724174 meV Z= 1.366289 lam= -0.268090 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408903 meV Im[Sigma]= 71.191961 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431040 meV Im[Sigma]= 174.632069 meV Z= 3.280627 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499061 meV Im[Sigma]= 83.813894 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776463 meV Im[Sigma]= 176.652420 meV Z= 3.973896 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070750 meV Im[Sigma]= 185.233305 meV Z= 2.820594 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560348 meV Im[Sigma]= 45.015904 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427784 meV Im[Sigma]= 95.880224 meV Z= 2.046117 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586462 meV Im[Sigma]= 109.898485 meV Z= 1.805272 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459123 meV Im[Sigma]= 102.333869 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100873 meV Im[Sigma]= 122.150306 meV Z= 1.941540 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040355 meV Im[Sigma]= 114.335433 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217693 meV Im[Sigma]= 178.883716 meV Z= 2.651221 lam= -0.622815 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -36.377998 meV Im[Sigma]= 73.507064 meV Z= 1.067886 lam= -0.063570 E( 3 )= -0.6178 eV Re[Sigma]= -38.727758 meV Im[Sigma]= 44.652724 meV Z= 1.189550 lam= -0.159346 E( 4 )= 1.0481 eV Re[Sigma]= 55.458906 meV Im[Sigma]= 132.345721 meV Z= 1.426234 lam= -0.298853 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.2936 eV Re[Sigma]= -42.694042 meV Im[Sigma]= 71.631440 meV Z= 1.350362 lam= -0.259458 E( 3 )= -2.0528 eV Re[Sigma]= -33.009319 meV Im[Sigma]= 113.118514 meV Z= 1.553931 lam= -0.356471 E( 4 )= 3.1848 eV Re[Sigma]= 33.064793 meV Im[Sigma]= 100.817319 meV Z= 1.429700 lam= -0.300552 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100881 meV Im[Sigma]= 122.150327 meV Z= 1.941540 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040361 meV Im[Sigma]= 114.335448 meV Z= 2.035235 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217691 meV Im[Sigma]= 178.883717 meV Z= 2.651221 lam= -0.622815 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2936 eV Re[Sigma]= -42.694051 meV Im[Sigma]= 71.631442 meV Z= 1.350362 lam= -0.259458 E( 3 )= -2.0528 eV Re[Sigma]= -33.009307 meV Im[Sigma]= 113.118519 meV Z= 1.553931 lam= -0.356471 E( 4 )= 3.1848 eV Re[Sigma]= 33.064801 meV Im[Sigma]= 100.817333 meV Z= 1.429700 lam= -0.300552 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100884 meV Im[Sigma]= 122.150330 meV Z= 1.941540 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040360 meV Im[Sigma]= 114.335447 meV Z= 2.035235 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217691 meV Im[Sigma]= 178.883728 meV Z= 2.651222 lam= -0.622815 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2936 eV Re[Sigma]= -42.694042 meV Im[Sigma]= 71.631444 meV Z= 1.350362 lam= -0.259458 E( 3 )= -2.0528 eV Re[Sigma]= -33.009314 meV Im[Sigma]= 113.118512 meV Z= 1.553931 lam= -0.356471 E( 4 )= 3.1848 eV Re[Sigma]= 33.064792 meV Im[Sigma]= 100.817317 meV Z= 1.429700 lam= -0.300552 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100884 meV Im[Sigma]= 122.150370 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040366 meV Im[Sigma]= 114.335444 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217726 meV Im[Sigma]= 178.883804 meV Z= 2.651223 lam= -0.622816 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776464 meV Im[Sigma]= 176.652410 meV Z= 3.973895 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070752 meV Im[Sigma]= 185.233423 meV Z= 2.820597 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560363 meV Im[Sigma]= 45.015918 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408909 meV Im[Sigma]= 71.191952 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431051 meV Im[Sigma]= 174.632139 meV Z= 3.280630 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499064 meV Im[Sigma]= 83.813929 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225402 meV Im[Sigma]= 149.971340 meV Z= 2.398009 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721787 meV Im[Sigma]= 122.143449 meV Z= 2.294344 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682659 meV Im[Sigma]= 60.724187 meV Z= 1.366289 lam= -0.268090 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -36.377998 meV Im[Sigma]= 73.507071 meV Z= 1.067886 lam= -0.063570 E( 3 )= -0.6178 eV Re[Sigma]= -38.727765 meV Im[Sigma]= 44.652740 meV Z= 1.189550 lam= -0.159346 E( 4 )= 1.0481 eV Re[Sigma]= 55.458920 meV Im[Sigma]= 132.345741 meV Z= 1.426234 lam= -0.298853 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100883 meV Im[Sigma]= 122.150363 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040357 meV Im[Sigma]= 114.335438 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217728 meV Im[Sigma]= 178.883810 meV Z= 2.651224 lam= -0.622816 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427784 meV Im[Sigma]= 95.880217 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586461 meV Im[Sigma]= 109.898520 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459125 meV Im[Sigma]= 102.333955 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -6.1055 eV Re[Sigma]= -18.620874 meV Im[Sigma]= 0.046120 meV Z= 0.994477 lam= 0.005554 E( 3 )= 4.9328 eV Re[Sigma]= 26.727176 meV Im[Sigma]= 31.297923 meV Z= 1.106489 lam= -0.096241 E( 4 )= 4.9328 eV Re[Sigma]= 26.727176 meV Im[Sigma]= 31.297923 meV Z= 1.106489 lam= -0.096241 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427784 meV Im[Sigma]= 95.880210 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586468 meV Im[Sigma]= 109.898502 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459128 meV Im[Sigma]= 102.333892 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225403 meV Im[Sigma]= 149.971356 meV Z= 2.398009 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721770 meV Im[Sigma]= 122.143420 meV Z= 2.294343 lam= -0.564145 E( 4 )= 1.9142 eV Re[Sigma]= -3.682661 meV Im[Sigma]= 60.724183 meV Z= 1.366289 lam= -0.268090 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.9439 eV Re[Sigma]= -38.600626 meV Im[Sigma]= 0.305518 meV Z= 0.952931 lam= 0.049394 E( 3 )= 0.8858 eV Re[Sigma]= -33.621462 meV Im[Sigma]= 89.895248 meV Z= 1.171836 lam= -0.146638 E( 4 )= 0.8858 eV Re[Sigma]= -33.621462 meV Im[Sigma]= 89.895248 meV Z= 1.171836 lam= -0.146638 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225403 meV Im[Sigma]= 149.971305 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721787 meV Im[Sigma]= 122.143484 meV Z= 2.294345 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682664 meV Im[Sigma]= 60.724219 meV Z= 1.366289 lam= -0.268091 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427779 meV Im[Sigma]= 95.880217 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586459 meV Im[Sigma]= 109.898498 meV Z= 1.805272 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459113 meV Im[Sigma]= 102.333943 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427783 meV Im[Sigma]= 95.880211 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586466 meV Im[Sigma]= 109.898482 meV Z= 1.805272 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459124 meV Im[Sigma]= 102.333886 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776458 meV Im[Sigma]= 176.652404 meV Z= 3.973895 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070741 meV Im[Sigma]= 185.233325 meV Z= 2.820594 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560349 meV Im[Sigma]= 45.015898 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408904 meV Im[Sigma]= 71.191963 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431037 meV Im[Sigma]= 174.632084 meV Z= 3.280627 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499063 meV Im[Sigma]= 83.813899 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225413 meV Im[Sigma]= 149.971341 meV Z= 2.398009 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721773 meV Im[Sigma]= 122.143439 meV Z= 2.294344 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682655 meV Im[Sigma]= 60.724163 meV Z= 1.366289 lam= -0.268090 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -36.377993 meV Im[Sigma]= 73.507061 meV Z= 1.067886 lam= -0.063570 E( 3 )= -0.6178 eV Re[Sigma]= -38.727754 meV Im[Sigma]= 44.652726 meV Z= 1.189550 lam= -0.159346 E( 4 )= 1.0481 eV Re[Sigma]= 55.458891 meV Im[Sigma]= 132.345706 meV Z= 1.426234 lam= -0.298853 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100874 meV Im[Sigma]= 122.150317 meV Z= 1.941540 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040356 meV Im[Sigma]= 114.335430 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217697 meV Im[Sigma]= 178.883740 meV Z= 2.651222 lam= -0.622815 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225409 meV Im[Sigma]= 149.971352 meV Z= 2.398009 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721771 meV Im[Sigma]= 122.143420 meV Z= 2.294343 lam= -0.564145 E( 4 )= 1.9142 eV Re[Sigma]= -3.682658 meV Im[Sigma]= 60.724181 meV Z= 1.366289 lam= -0.268090 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408906 meV Im[Sigma]= 71.191966 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431036 meV Im[Sigma]= 174.632079 meV Z= 3.280627 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499065 meV Im[Sigma]= 83.813896 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776459 meV Im[Sigma]= 176.652419 meV Z= 3.973896 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070751 meV Im[Sigma]= 185.233309 meV Z= 2.820594 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560347 meV Im[Sigma]= 45.015902 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427784 meV Im[Sigma]= 95.880224 meV Z= 2.046117 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586461 meV Im[Sigma]= 109.898487 meV Z= 1.805272 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459121 meV Im[Sigma]= 102.333875 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100873 meV Im[Sigma]= 122.150302 meV Z= 1.941540 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040355 meV Im[Sigma]= 114.335439 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217686 meV Im[Sigma]= 178.883705 meV Z= 2.651221 lam= -0.622815 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -36.377995 meV Im[Sigma]= 73.507068 meV Z= 1.067886 lam= -0.063570 E( 3 )= -0.6178 eV Re[Sigma]= -38.727756 meV Im[Sigma]= 44.652719 meV Z= 1.189550 lam= -0.159346 E( 4 )= 1.0481 eV Re[Sigma]= 55.458893 meV Im[Sigma]= 132.345707 meV Z= 1.426234 lam= -0.298853 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.9439 eV Re[Sigma]= -38.600624 meV Im[Sigma]= 0.305518 meV Z= 0.952931 lam= 0.049394 E( 3 )= 0.8858 eV Re[Sigma]= -33.621462 meV Im[Sigma]= 89.895246 meV Z= 1.171836 lam= -0.146638 E( 4 )= 0.8858 eV Re[Sigma]= -33.621462 meV Im[Sigma]= 89.895246 meV Z= 1.171836 lam= -0.146638 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225406 meV Im[Sigma]= 149.971350 meV Z= 2.398009 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721769 meV Im[Sigma]= 122.143426 meV Z= 2.294344 lam= -0.564145 E( 4 )= 1.9142 eV Re[Sigma]= -3.682660 meV Im[Sigma]= 60.724169 meV Z= 1.366289 lam= -0.268090 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427784 meV Im[Sigma]= 95.880222 meV Z= 2.046117 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586462 meV Im[Sigma]= 109.898475 meV Z= 1.805272 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459121 meV Im[Sigma]= 102.333877 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -6.1055 eV Re[Sigma]= -18.620871 meV Im[Sigma]= 0.046120 meV Z= 0.994477 lam= 0.005554 E( 3 )= 4.9328 eV Re[Sigma]= 26.727166 meV Im[Sigma]= 31.297917 meV Z= 1.106489 lam= -0.096241 E( 4 )= 4.9328 eV Re[Sigma]= 26.727166 meV Im[Sigma]= 31.297917 meV Z= 1.106489 lam= -0.096241 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427771 meV Im[Sigma]= 95.880197 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586451 meV Im[Sigma]= 109.898502 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459119 meV Im[Sigma]= 102.333910 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225399 meV Im[Sigma]= 149.971292 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721782 meV Im[Sigma]= 122.143448 meV Z= 2.294344 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682665 meV Im[Sigma]= 60.724205 meV Z= 1.366289 lam= -0.268091 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225398 meV Im[Sigma]= 149.971310 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721806 meV Im[Sigma]= 122.143544 meV Z= 2.294347 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682661 meV Im[Sigma]= 60.724240 meV Z= 1.366290 lam= -0.268091 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -36.377994 meV Im[Sigma]= 73.507070 meV Z= 1.067886 lam= -0.063570 E( 3 )= -0.6178 eV Re[Sigma]= -38.727758 meV Im[Sigma]= 44.652732 meV Z= 1.189550 lam= -0.159346 E( 4 )= 1.0481 eV Re[Sigma]= 55.458911 meV Im[Sigma]= 132.345741 meV Z= 1.426235 lam= -0.298853 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100881 meV Im[Sigma]= 122.150354 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040358 meV Im[Sigma]= 114.335448 meV Z= 2.035235 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217695 meV Im[Sigma]= 178.883734 meV Z= 2.651222 lam= -0.622815 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427776 meV Im[Sigma]= 95.880199 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586454 meV Im[Sigma]= 109.898570 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459129 meV Im[Sigma]= 102.333907 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776459 meV Im[Sigma]= 176.652388 meV Z= 3.973894 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070764 meV Im[Sigma]= 185.233361 meV Z= 2.820595 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560349 meV Im[Sigma]= 45.015927 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408911 meV Im[Sigma]= 71.191937 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431059 meV Im[Sigma]= 174.632188 meV Z= 3.280631 lam= -0.695181 E( 4 )= 3.6115 eV Re[Sigma]= 5.499071 meV Im[Sigma]= 83.813956 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427787 meV Im[Sigma]= 95.880229 meV Z= 2.046117 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586467 meV Im[Sigma]= 109.898567 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459125 meV Im[Sigma]= 102.333965 meV Z= 1.596217 lam= -0.373519 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100886 meV Im[Sigma]= 122.150375 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040360 meV Im[Sigma]= 114.335460 meV Z= 2.035235 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217722 meV Im[Sigma]= 178.883795 meV Z= 2.651223 lam= -0.622816 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -36.377995 meV Im[Sigma]= 73.507081 meV Z= 1.067886 lam= -0.063570 E( 3 )= -0.6178 eV Re[Sigma]= -38.727764 meV Im[Sigma]= 44.652738 meV Z= 1.189550 lam= -0.159346 E( 4 )= 1.0481 eV Re[Sigma]= 55.458919 meV Im[Sigma]= 132.345739 meV Z= 1.426234 lam= -0.298853 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225394 meV Im[Sigma]= 149.971308 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721802 meV Im[Sigma]= 122.143503 meV Z= 2.294345 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682660 meV Im[Sigma]= 60.724220 meV Z= 1.366289 lam= -0.268091 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408910 meV Im[Sigma]= 71.191936 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431057 meV Im[Sigma]= 174.632193 meV Z= 3.280632 lam= -0.695181 E( 4 )= 3.6115 eV Re[Sigma]= 5.499075 meV Im[Sigma]= 83.813963 meV Z= 1.512533 lam= -0.338857 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776466 meV Im[Sigma]= 176.652421 meV Z= 3.973896 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070752 meV Im[Sigma]= 185.233406 meV Z= 2.820596 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560364 meV Im[Sigma]= 45.015938 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.0100 eV Re[Sigma]= -10.147902 meV Im[Sigma]= 94.858996 meV Z= 1.306891 lam= -0.234825 E( 3 )= 5.4522 eV Re[Sigma]= 35.951152 meV Im[Sigma]= 66.193751 meV Z= 1.502559 lam= -0.334469 E( 4 )= 5.4522 eV Re[Sigma]= 35.951152 meV Im[Sigma]= 66.193751 meV Z= 1.502559 lam= -0.334469 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776461 meV Im[Sigma]= 176.652417 meV Z= 3.973896 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070766 meV Im[Sigma]= 185.233401 meV Z= 2.820597 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560359 meV Im[Sigma]= 45.015959 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2936 eV Re[Sigma]= -42.694039 meV Im[Sigma]= 71.631441 meV Z= 1.350362 lam= -0.259458 E( 3 )= -2.0528 eV Re[Sigma]= -33.009313 meV Im[Sigma]= 113.118512 meV Z= 1.553931 lam= -0.356471 E( 4 )= 3.1848 eV Re[Sigma]= 33.064797 meV Im[Sigma]= 100.817343 meV Z= 1.429700 lam= -0.300552 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225398 meV Im[Sigma]= 149.971311 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721783 meV Im[Sigma]= 122.143464 meV Z= 2.294345 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682673 meV Im[Sigma]= 60.724252 meV Z= 1.366290 lam= -0.268091 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -0.4910 eV Re[Sigma]= -21.831994 meV Im[Sigma]= 8.604780 meV Z= 0.951512 lam= 0.050959 E( 3 )= 2.4543 eV Re[Sigma]= -40.071555 meV Im[Sigma]= 95.933019 meV Z= 1.283076 lam= -0.220623 E( 4 )= 2.4543 eV Re[Sigma]= -40.071555 meV Im[Sigma]= 95.933019 meV Z= 1.283076 lam= -0.220623 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206723 meV Im[Sigma]= 49.156377 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781376 meV Im[Sigma]= 76.678401 meV Z= 1.324546 lam= -0.245025 E( 4 )= 4.6064 eV Re[Sigma]= 29.625628 meV Im[Sigma]= 47.278894 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776463 meV Im[Sigma]= 176.652405 meV Z= 3.973895 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070766 meV Im[Sigma]= 185.233369 meV Z= 2.820595 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560345 meV Im[Sigma]= 45.015911 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427782 meV Im[Sigma]= 95.880205 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586457 meV Im[Sigma]= 109.898555 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459134 meV Im[Sigma]= 102.333912 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100883 meV Im[Sigma]= 122.150371 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040357 meV Im[Sigma]= 114.335449 meV Z= 2.035235 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217692 meV Im[Sigma]= 178.883751 meV Z= 2.651222 lam= -0.622816 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -36.377992 meV Im[Sigma]= 73.507066 meV Z= 1.067886 lam= -0.063570 E( 3 )= -0.6178 eV Re[Sigma]= -38.727760 meV Im[Sigma]= 44.652741 meV Z= 1.189550 lam= -0.159346 E( 4 )= 1.0481 eV Re[Sigma]= 55.458907 meV Im[Sigma]= 132.345732 meV Z= 1.426234 lam= -0.298853 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225403 meV Im[Sigma]= 149.971301 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721799 meV Im[Sigma]= 122.143529 meV Z= 2.294346 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682657 meV Im[Sigma]= 60.724213 meV Z= 1.366289 lam= -0.268091 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408918 meV Im[Sigma]= 71.191937 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431059 meV Im[Sigma]= 174.632183 meV Z= 3.280631 lam= -0.695181 E( 4 )= 3.6115 eV Re[Sigma]= 5.499060 meV Im[Sigma]= 83.813915 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.2936 eV Re[Sigma]= -42.694042 meV Im[Sigma]= 71.631439 meV Z= 1.350362 lam= -0.259458 E( 3 )= -2.0528 eV Re[Sigma]= -33.009313 meV Im[Sigma]= 113.118514 meV Z= 1.553931 lam= -0.356471 E( 4 )= 3.1848 eV Re[Sigma]= 33.064795 meV Im[Sigma]= 100.817316 meV Z= 1.429700 lam= -0.300552 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100885 meV Im[Sigma]= 122.150347 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040361 meV Im[Sigma]= 114.335451 meV Z= 2.035235 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217692 meV Im[Sigma]= 178.883733 meV Z= 2.651222 lam= -0.622815 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2936 eV Re[Sigma]= -42.694057 meV Im[Sigma]= 71.631449 meV Z= 1.350362 lam= -0.259458 E( 3 )= -2.0528 eV Re[Sigma]= -33.009307 meV Im[Sigma]= 113.118517 meV Z= 1.553931 lam= -0.356471 E( 4 )= 3.1848 eV Re[Sigma]= 33.064801 meV Im[Sigma]= 100.817333 meV Z= 1.429700 lam= -0.300552 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100880 meV Im[Sigma]= 122.150321 meV Z= 1.941540 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040359 meV Im[Sigma]= 114.335448 meV Z= 2.035235 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217691 meV Im[Sigma]= 178.883713 meV Z= 2.651221 lam= -0.622815 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2936 eV Re[Sigma]= -42.694041 meV Im[Sigma]= 71.631439 meV Z= 1.350362 lam= -0.259458 E( 3 )= -2.0528 eV Re[Sigma]= -33.009316 meV Im[Sigma]= 113.118515 meV Z= 1.553931 lam= -0.356471 E( 4 )= 3.1848 eV Re[Sigma]= 33.064793 meV Im[Sigma]= 100.817316 meV Z= 1.429700 lam= -0.300552 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100886 meV Im[Sigma]= 122.150371 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040364 meV Im[Sigma]= 114.335440 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217711 meV Im[Sigma]= 178.883791 meV Z= 2.651223 lam= -0.622816 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225397 meV Im[Sigma]= 149.971292 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721803 meV Im[Sigma]= 122.143506 meV Z= 2.294346 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682660 meV Im[Sigma]= 60.724217 meV Z= 1.366289 lam= -0.268091 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -36.377992 meV Im[Sigma]= 73.507067 meV Z= 1.067886 lam= -0.063570 E( 3 )= -0.6178 eV Re[Sigma]= -38.727763 meV Im[Sigma]= 44.652743 meV Z= 1.189550 lam= -0.159346 E( 4 )= 1.0481 eV Re[Sigma]= 55.458911 meV Im[Sigma]= 132.345742 meV Z= 1.426235 lam= -0.298853 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100878 meV Im[Sigma]= 122.150351 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040356 meV Im[Sigma]= 114.335447 meV Z= 2.035235 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217698 meV Im[Sigma]= 178.883733 meV Z= 2.651222 lam= -0.622815 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427777 meV Im[Sigma]= 95.880207 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586453 meV Im[Sigma]= 109.898545 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459121 meV Im[Sigma]= 102.333901 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776459 meV Im[Sigma]= 176.652388 meV Z= 3.973894 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070769 meV Im[Sigma]= 185.233362 meV Z= 2.820595 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560350 meV Im[Sigma]= 45.015931 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408904 meV Im[Sigma]= 71.191928 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431070 meV Im[Sigma]= 174.632182 meV Z= 3.280631 lam= -0.695181 E( 4 )= 3.6115 eV Re[Sigma]= 5.499061 meV Im[Sigma]= 83.813924 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -0.4910 eV Re[Sigma]= -21.831993 meV Im[Sigma]= 8.604780 meV Z= 0.951512 lam= 0.050959 E( 3 )= 2.4543 eV Re[Sigma]= -40.071554 meV Im[Sigma]= 95.933019 meV Z= 1.283076 lam= -0.220623 E( 4 )= 2.4543 eV Re[Sigma]= -40.071554 meV Im[Sigma]= 95.933019 meV Z= 1.283076 lam= -0.220623 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225401 meV Im[Sigma]= 149.971317 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721787 meV Im[Sigma]= 122.143496 meV Z= 2.294345 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682671 meV Im[Sigma]= 60.724250 meV Z= 1.366290 lam= -0.268091 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2936 eV Re[Sigma]= -42.694039 meV Im[Sigma]= 71.631440 meV Z= 1.350362 lam= -0.259458 E( 3 )= -2.0528 eV Re[Sigma]= -33.009316 meV Im[Sigma]= 113.118511 meV Z= 1.553931 lam= -0.356471 E( 4 )= 3.1848 eV Re[Sigma]= 33.064794 meV Im[Sigma]= 100.817341 meV Z= 1.429700 lam= -0.300552 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776456 meV Im[Sigma]= 176.652393 meV Z= 3.973895 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070761 meV Im[Sigma]= 185.233371 meV Z= 2.820596 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560361 meV Im[Sigma]= 45.015971 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.0100 eV Re[Sigma]= -10.147903 meV Im[Sigma]= 94.858990 meV Z= 1.306891 lam= -0.234825 E( 3 )= 5.4522 eV Re[Sigma]= 35.951155 meV Im[Sigma]= 66.193745 meV Z= 1.502559 lam= -0.334469 E( 4 )= 5.4522 eV Re[Sigma]= 35.951155 meV Im[Sigma]= 66.193745 meV Z= 1.502559 lam= -0.334469 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206729 meV Im[Sigma]= 49.156371 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781372 meV Im[Sigma]= 76.678385 meV Z= 1.324546 lam= -0.245025 E( 4 )= 4.6064 eV Re[Sigma]= 29.625616 meV Im[Sigma]= 47.278893 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206731 meV Im[Sigma]= 49.156386 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781366 meV Im[Sigma]= 76.678350 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625645 meV Im[Sigma]= 47.278936 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408914 meV Im[Sigma]= 71.191944 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431063 meV Im[Sigma]= 174.632152 meV Z= 3.280630 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499068 meV Im[Sigma]= 83.813965 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100881 meV Im[Sigma]= 122.150348 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040357 meV Im[Sigma]= 114.335432 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217726 meV Im[Sigma]= 178.883810 meV Z= 2.651224 lam= -0.622816 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408900 meV Im[Sigma]= 71.191932 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431071 meV Im[Sigma]= 174.632159 meV Z= 3.280630 lam= -0.695181 E( 4 )= 3.6115 eV Re[Sigma]= 5.499068 meV Im[Sigma]= 83.813959 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206735 meV Im[Sigma]= 49.156376 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781360 meV Im[Sigma]= 76.678328 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625634 meV Im[Sigma]= 47.278937 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= 1.4843 eV Re[Sigma]= 1.934344 meV Im[Sigma]= 23.650229 meV Z= 1.065673 lam= -0.061626 E( 3 )= 3.9744 eV Re[Sigma]= 20.223342 meV Im[Sigma]= 155.735266 meV Z= 2.162195 lam= -0.537507 E( 4 )= 6.2138 eV Re[Sigma]= 14.358415 meV Im[Sigma]= 1.213562 meV Z= 0.987510 lam= 0.012647 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.0815 eV Re[Sigma]= 25.083662 meV Im[Sigma]= 57.337945 meV Z= 0.968970 lam= 0.032024 E( 3 )= 6.4242 eV Re[Sigma]= 23.597500 meV Im[Sigma]= 34.792050 meV Z= 1.212367 lam= -0.175167 E( 4 )= 6.4242 eV Re[Sigma]= 23.597500 meV Im[Sigma]= 34.792050 meV Z= 1.212367 lam= -0.175167 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= 1.4843 eV Re[Sigma]= 1.934345 meV Im[Sigma]= 23.650234 meV Z= 1.065673 lam= -0.061626 E( 3 )= 3.9744 eV Re[Sigma]= 20.223316 meV Im[Sigma]= 155.735234 meV Z= 2.162195 lam= -0.537507 E( 4 )= 6.2138 eV Re[Sigma]= 14.358413 meV Im[Sigma]= 1.213564 meV Z= 0.987510 lam= 0.012647 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776461 meV Im[Sigma]= 176.652408 meV Z= 3.973895 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070757 meV Im[Sigma]= 185.233386 meV Z= 2.820596 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560364 meV Im[Sigma]= 45.015936 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427777 meV Im[Sigma]= 95.880216 meV Z= 2.046116 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586446 meV Im[Sigma]= 109.898514 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459118 meV Im[Sigma]= 102.333962 meV Z= 1.596216 lam= -0.373519 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206727 meV Im[Sigma]= 49.156375 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781378 meV Im[Sigma]= 76.678383 meV Z= 1.324546 lam= -0.245025 E( 4 )= 4.6064 eV Re[Sigma]= 29.625615 meV Im[Sigma]= 47.278903 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= 4.7407 eV Re[Sigma]= 25.700864 meV Im[Sigma]= 6.149006 meV Z= 0.954574 lam= 0.047588 E( 3 )= 5.4498 eV Re[Sigma]= 32.984578 meV Im[Sigma]= 69.185056 meV Z= 1.538035 lam= -0.349820 E( 4 )= 5.4498 eV Re[Sigma]= 32.984578 meV Im[Sigma]= 69.185056 meV Z= 1.538035 lam= -0.349820 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 1.4843 eV Re[Sigma]= 1.934346 meV Im[Sigma]= 23.650232 meV Z= 1.065673 lam= -0.061626 E( 3 )= 3.9744 eV Re[Sigma]= 20.223338 meV Im[Sigma]= 155.735201 meV Z= 2.162194 lam= -0.537507 E( 4 )= 6.2138 eV Re[Sigma]= 14.358410 meV Im[Sigma]= 1.213561 meV Z= 0.987510 lam= 0.012648 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206728 meV Im[Sigma]= 49.156376 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781350 meV Im[Sigma]= 76.678314 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625625 meV Im[Sigma]= 47.278892 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408910 meV Im[Sigma]= 71.191954 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431050 meV Im[Sigma]= 174.632103 meV Z= 3.280628 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499062 meV Im[Sigma]= 83.813928 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100873 meV Im[Sigma]= 122.150321 meV Z= 1.941540 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040357 meV Im[Sigma]= 114.335433 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217710 meV Im[Sigma]= 178.883763 meV Z= 2.651222 lam= -0.622815 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408911 meV Im[Sigma]= 71.191939 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431053 meV Im[Sigma]= 174.632196 meV Z= 3.280632 lam= -0.695181 E( 4 )= 3.6115 eV Re[Sigma]= 5.499072 meV Im[Sigma]= 83.813956 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206729 meV Im[Sigma]= 49.156390 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781365 meV Im[Sigma]= 76.678344 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625645 meV Im[Sigma]= 47.278905 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776463 meV Im[Sigma]= 176.652416 meV Z= 3.973896 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070748 meV Im[Sigma]= 185.233403 meV Z= 2.820596 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560357 meV Im[Sigma]= 45.015914 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408910 meV Im[Sigma]= 71.191957 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431048 meV Im[Sigma]= 174.632133 meV Z= 3.280629 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499065 meV Im[Sigma]= 83.813921 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225404 meV Im[Sigma]= 149.971338 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721787 meV Im[Sigma]= 122.143459 meV Z= 2.294344 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682657 meV Im[Sigma]= 60.724186 meV Z= 1.366289 lam= -0.268090 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -36.377997 meV Im[Sigma]= 73.507070 meV Z= 1.067886 lam= -0.063570 E( 3 )= -0.6178 eV Re[Sigma]= -38.727763 meV Im[Sigma]= 44.652735 meV Z= 1.189550 lam= -0.159346 E( 4 )= 1.0481 eV Re[Sigma]= 55.458913 meV Im[Sigma]= 132.345725 meV Z= 1.426234 lam= -0.298853 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100885 meV Im[Sigma]= 122.150369 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040361 meV Im[Sigma]= 114.335443 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217724 meV Im[Sigma]= 178.883798 meV Z= 2.651223 lam= -0.622816 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427786 meV Im[Sigma]= 95.880222 meV Z= 2.046117 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586470 meV Im[Sigma]= 109.898528 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459129 meV Im[Sigma]= 102.333938 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427780 meV Im[Sigma]= 95.880220 meV Z= 2.046117 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586457 meV Im[Sigma]= 109.898558 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459125 meV Im[Sigma]= 102.333929 meV Z= 1.596216 lam= -0.373518 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100884 meV Im[Sigma]= 122.150320 meV Z= 1.941540 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040360 meV Im[Sigma]= 114.335444 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217714 meV Im[Sigma]= 178.883760 meV Z= 2.651222 lam= -0.622816 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -36.377997 meV Im[Sigma]= 73.507080 meV Z= 1.067886 lam= -0.063570 E( 3 )= -0.6178 eV Re[Sigma]= -38.727764 meV Im[Sigma]= 44.652737 meV Z= 1.189550 lam= -0.159346 E( 4 )= 1.0481 eV Re[Sigma]= 55.458920 meV Im[Sigma]= 132.345739 meV Z= 1.426234 lam= -0.298853 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3281 eV Re[Sigma]= -12.225392 meV Im[Sigma]= 149.971315 meV Z= 2.398008 lam= -0.582987 E( 3 )= 0.4975 eV Re[Sigma]= -17.721797 meV Im[Sigma]= 122.143491 meV Z= 2.294345 lam= -0.564146 E( 4 )= 1.9142 eV Re[Sigma]= -3.682660 meV Im[Sigma]= 60.724200 meV Z= 1.366289 lam= -0.268091 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408911 meV Im[Sigma]= 71.191936 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431066 meV Im[Sigma]= 174.632186 meV Z= 3.280631 lam= -0.695181 E( 4 )= 3.6115 eV Re[Sigma]= 5.499057 meV Im[Sigma]= 83.813942 meV Z= 1.512532 lam= -0.338857 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776461 meV Im[Sigma]= 176.652419 meV Z= 3.973897 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070762 meV Im[Sigma]= 185.233426 meV Z= 2.820597 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560364 meV Im[Sigma]= 45.015960 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206733 meV Im[Sigma]= 49.156381 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781357 meV Im[Sigma]= 76.678333 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625632 meV Im[Sigma]= 47.278931 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408911 meV Im[Sigma]= 71.191941 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431060 meV Im[Sigma]= 174.632210 meV Z= 3.280632 lam= -0.695181 E( 4 )= 3.6115 eV Re[Sigma]= 5.499070 meV Im[Sigma]= 83.813968 meV Z= 1.512533 lam= -0.338857 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -71.100885 meV Im[Sigma]= 122.150363 meV Z= 1.941541 lam= -0.484945 E( 3 )= -0.1741 eV Re[Sigma]= -34.040364 meV Im[Sigma]= 114.335444 meV Z= 2.035234 lam= -0.508656 E( 4 )= 2.6174 eV Re[Sigma]= 39.217732 meV Im[Sigma]= 178.883821 meV Z= 2.651224 lam= -0.622816 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 24.408909 meV Im[Sigma]= 71.191939 meV Z= 1.281995 lam= -0.219966 E( 3 )= 0.9406 eV Re[Sigma]= -9.431068 meV Im[Sigma]= 174.632155 meV Z= 3.280630 lam= -0.695180 E( 4 )= 3.6115 eV Re[Sigma]= 5.499062 meV Im[Sigma]= 83.813971 meV Z= 1.512533 lam= -0.338857 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206731 meV Im[Sigma]= 49.156374 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781362 meV Im[Sigma]= 76.678361 meV Z= 1.324546 lam= -0.245024 E( 4 )= 4.6064 eV Re[Sigma]= 29.625635 meV Im[Sigma]= 47.278942 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 1.4843 eV Re[Sigma]= 1.934343 meV Im[Sigma]= 23.650229 meV Z= 1.065673 lam= -0.061626 E( 3 )= 3.9744 eV Re[Sigma]= 20.223351 meV Im[Sigma]= 155.735309 meV Z= 2.162196 lam= -0.537507 E( 4 )= 6.2138 eV Re[Sigma]= 14.358415 meV Im[Sigma]= 1.213561 meV Z= 0.987510 lam= 0.012647 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.7407 eV Re[Sigma]= 25.700865 meV Im[Sigma]= 6.149006 meV Z= 0.954574 lam= 0.047588 E( 3 )= 5.4498 eV Re[Sigma]= 32.984579 meV Im[Sigma]= 69.185058 meV Z= 1.538035 lam= -0.349820 E( 4 )= 5.4498 eV Re[Sigma]= 32.984579 meV Im[Sigma]= 69.185058 meV Z= 1.538035 lam= -0.349820 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.206723 meV Im[Sigma]= 49.156379 meV Z= 1.188265 lam= -0.158437 E( 3 )= 4.2149 eV Re[Sigma]= 45.781381 meV Im[Sigma]= 76.678386 meV Z= 1.324546 lam= -0.245025 E( 4 )= 4.6064 eV Re[Sigma]= 29.625633 meV Im[Sigma]= 47.278914 meV Z= 1.210524 lam= -0.173911 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -33.427784 meV Im[Sigma]= 95.880220 meV Z= 2.046117 lam= -0.511269 E( 3 )= 3.1221 eV Re[Sigma]= 4.586456 meV Im[Sigma]= 109.898516 meV Z= 1.805273 lam= -0.446067 E( 4 )= 3.9377 eV Re[Sigma]= 5.459113 meV Im[Sigma]= 102.333976 meV Z= 1.596216 lam= -0.373519 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 18.776460 meV Im[Sigma]= 176.652411 meV Z= 3.973896 lam= -0.748358 E( 3 )= 2.5091 eV Re[Sigma]= -28.070778 meV Im[Sigma]= 185.233419 meV Z= 2.820597 lam= -0.645465 E( 4 )= 4.9622 eV Re[Sigma]= 34.560366 meV Im[Sigma]= 45.015957 meV Z= 1.235375 lam= -0.190529 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= 1.4843 eV Re[Sigma]= 1.934342 meV Im[Sigma]= 23.650232 meV Z= 1.065673 lam= -0.061626 E( 3 )= 3.9744 eV Re[Sigma]= 20.223352 meV Im[Sigma]= 155.735303 meV Z= 2.162196 lam= -0.537507 E( 4 )= 6.2138 eV Re[Sigma]= 14.358418 meV Im[Sigma]= 1.213562 meV Z= 0.987510 lam= 0.012647 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= 4.0815 eV Re[Sigma]= 25.083685 meV Im[Sigma]= 57.337968 meV Z= 0.968970 lam= 0.032024 E( 3 )= 6.4242 eV Re[Sigma]= 23.597506 meV Im[Sigma]= 34.792038 meV Z= 1.212367 lam= -0.175167 E( 4 )= 6.4242 eV Re[Sigma]= 23.597506 meV Im[Sigma]= 34.792038 meV Z= 1.212367 lam= -0.175167 ------------------------------------------------------------------- 1 2 6.8767 0.0000 0.0000 1.0000 0.0000 2 2 4.0815 25.0837 57.3379 0.9690 0.0320 3 2 -2.0100 -10.1479 94.8590 1.3069 -0.2348 4 2 -6.1055 -18.6209 0.0461 0.9945 0.0056 5 2 -2.0100 -10.1479 94.8590 1.3069 -0.2348 6 2 4.0815 25.0837 57.3380 0.9690 0.0320 7 2 4.0815 25.0837 57.3379 0.9690 0.0320 8 2 4.7407 25.7009 6.1490 0.9546 0.0476 9 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 10 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 11 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 12 2 1.4843 1.9343 23.6502 1.0657 -0.0616 13 2 -2.0100 -10.1479 94.8590 1.3069 -0.2348 14 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 15 2 -0.4910 -21.8320 8.6048 0.9515 0.0510 16 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 17 2 -2.2936 -42.6940 71.6314 1.3504 -0.2595 18 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 19 2 -6.1055 -18.6209 0.0461 0.9945 0.0056 20 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 21 2 -3.3281 -12.2254 149.9714 2.3980 -0.5830 22 2 -4.9439 -38.6006 0.3055 0.9529 0.0494 23 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 24 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 25 2 -2.0100 -10.1479 94.8590 1.3069 -0.2348 26 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 27 2 -2.2936 -42.6940 71.6314 1.3504 -0.2595 28 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 29 2 -0.4910 -21.8320 8.6048 0.9515 0.0510 30 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 31 2 4.0815 25.0837 57.3380 0.9690 0.0320 32 2 1.4843 1.9343 23.6502 1.0657 -0.0616 33 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 34 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 35 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 36 2 4.7407 25.7009 6.1490 0.9546 0.0476 37 2 4.0815 25.0837 57.3379 0.9690 0.0320 38 2 4.7407 25.7009 6.1490 0.9546 0.0476 39 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 40 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 41 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 42 2 1.4843 1.9343 23.6502 1.0657 -0.0616 43 2 4.7407 25.7009 6.1490 0.9546 0.0476 44 2 4.0815 25.0837 57.3379 0.9690 0.0320 45 2 1.4843 1.9343 23.6502 1.0657 -0.0616 46 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 47 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 48 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 49 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 50 2 1.4843 1.9343 23.6502 1.0657 -0.0616 51 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 52 2 -1.8988 24.4089 71.1920 1.2820 -0.2200 53 2 -3.6519 -71.1009 122.1503 1.9415 -0.4849 54 2 -1.8988 24.4089 71.1920 1.2820 -0.2200 55 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 56 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 57 2 -1.8988 24.4089 71.1920 1.2820 -0.2200 58 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 59 2 -3.5326 -36.3780 73.5071 1.0679 -0.0636 60 2 -3.6519 -71.1009 122.1503 1.9415 -0.4849 61 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 62 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 63 2 -3.6519 -71.1009 122.1503 1.9415 -0.4849 64 2 -3.5326 -36.3780 73.5071 1.0679 -0.0636 65 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 66 2 -1.8988 24.4089 71.1919 1.2820 -0.2200 67 2 1.4843 1.9343 23.6502 1.0657 -0.0616 68 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 69 2 -1.8988 24.4089 71.1920 1.2820 -0.2200 70 2 -3.6519 -71.1009 122.1504 1.9415 -0.4849 71 2 -1.8988 24.4089 71.1919 1.2820 -0.2200 72 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 73 2 -2.0100 -10.1479 94.8590 1.3069 -0.2348 74 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 75 2 -0.4910 -21.8320 8.6048 0.9515 0.0510 76 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 77 2 -2.2936 -42.6940 71.6314 1.3504 -0.2595 78 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 79 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 80 2 1.4843 1.9343 23.6502 1.0657 -0.0616 81 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 82 2 -1.8988 24.4089 71.1920 1.2820 -0.2200 83 2 -3.6519 -71.1009 122.1504 1.9415 -0.4849 84 2 -1.8988 24.4089 71.1920 1.2820 -0.2200 85 2 -0.4910 -21.8320 8.6048 0.9515 0.0510 86 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 87 2 -2.0100 -10.1479 94.8590 1.3069 -0.2348 88 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 89 2 -2.2936 -42.6940 71.6314 1.3504 -0.2595 90 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 91 2 -3.3281 -12.2254 149.9714 2.3980 -0.5830 92 2 -1.8988 24.4089 71.1920 1.2820 -0.2200 93 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 94 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 95 2 -3.6519 -71.1009 122.1503 1.9415 -0.4849 96 2 -3.5326 -36.3780 73.5071 1.0679 -0.0636 97 2 -2.2936 -42.6940 71.6314 1.3504 -0.2595 98 2 -3.6519 -71.1009 122.1503 1.9415 -0.4849 99 2 -2.2936 -42.6941 71.6314 1.3504 -0.2595 100 2 -3.6519 -71.1009 122.1503 1.9415 -0.4849 101 2 -2.2936 -42.6940 71.6314 1.3504 -0.2595 102 2 -3.6519 -71.1009 122.1504 1.9415 -0.4849 103 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 104 2 -1.8988 24.4089 71.1920 1.2820 -0.2200 105 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 106 2 -3.5326 -36.3780 73.5071 1.0679 -0.0636 107 2 -3.6519 -71.1009 122.1504 1.9415 -0.4849 108 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 109 2 -6.1055 -18.6209 0.0461 0.9945 0.0056 110 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 111 2 -3.3281 -12.2254 149.9714 2.3980 -0.5830 112 2 -4.9439 -38.6006 0.3055 0.9529 0.0494 113 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 114 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 115 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 116 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 117 2 -1.8988 24.4089 71.1920 1.2820 -0.2200 118 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 119 2 -3.5326 -36.3780 73.5071 1.0679 -0.0636 120 2 -3.6519 -71.1009 122.1503 1.9415 -0.4849 121 2 -3.3281 -12.2254 149.9714 2.3980 -0.5830 122 2 -1.8988 24.4089 71.1920 1.2820 -0.2200 123 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 124 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 125 2 -3.6519 -71.1009 122.1503 1.9415 -0.4849 126 2 -3.5326 -36.3780 73.5071 1.0679 -0.0636 127 2 -4.9439 -38.6006 0.3055 0.9529 0.0494 128 2 -3.3281 -12.2254 149.9714 2.3980 -0.5830 129 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 130 2 -6.1055 -18.6209 0.0461 0.9945 0.0056 131 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 132 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 133 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 134 2 -3.5326 -36.3780 73.5071 1.0679 -0.0636 135 2 -3.6519 -71.1009 122.1504 1.9415 -0.4849 136 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 137 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 138 2 -1.8988 24.4089 71.1919 1.2820 -0.2200 139 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 140 2 -3.6519 -71.1009 122.1504 1.9415 -0.4849 141 2 -3.5326 -36.3780 73.5071 1.0679 -0.0636 142 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 143 2 -1.8988 24.4089 71.1919 1.2820 -0.2200 144 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 145 2 -2.0100 -10.1479 94.8590 1.3069 -0.2348 146 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 147 2 -2.2936 -42.6940 71.6314 1.3504 -0.2595 148 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 149 2 -0.4910 -21.8320 8.6048 0.9515 0.0510 150 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 151 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 152 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 153 2 -3.6519 -71.1009 122.1504 1.9415 -0.4849 154 2 -3.5326 -36.3780 73.5071 1.0679 -0.0636 155 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 156 2 -1.8988 24.4089 71.1919 1.2820 -0.2200 157 2 -2.2936 -42.6940 71.6314 1.3504 -0.2595 158 2 -3.6519 -71.1009 122.1503 1.9415 -0.4849 159 2 -2.2936 -42.6941 71.6314 1.3504 -0.2595 160 2 -3.6519 -71.1009 122.1503 1.9415 -0.4849 161 2 -2.2936 -42.6940 71.6314 1.3504 -0.2595 162 2 -3.6519 -71.1009 122.1504 1.9415 -0.4849 163 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 164 2 -3.5326 -36.3780 73.5071 1.0679 -0.0636 165 2 -3.6519 -71.1009 122.1504 1.9415 -0.4849 166 2 -4.7093 -33.4278 95.8802 2.0461 -0.5113 167 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 168 2 -1.8988 24.4089 71.1919 1.2820 -0.2200 169 2 -0.4910 -21.8320 8.6048 0.9515 0.0510 170 2 -3.3281 -12.2254 149.9713 2.3980 -0.5830 171 2 -2.2936 -42.6940 71.6314 1.3504 -0.2595 172 2 -3.2776 18.7765 176.6524 3.9739 -0.7484 173 2 -2.0100 -10.1479 94.8590 1.3069 -0.2348 174 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 175 2 0.0541 -2.2067 49.1564 1.1883 -0.1584 176 2 -1.8988 24.4089 71.1919 1.2820 -0.2200 177 2 -3.6519 -71.1009 122.1503 1.9415 -0.4849 178 2 -1.8988 24.4089 71.1919 1.2820 -0.2200 179 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-40.0715 95.9329 1.2831 -0.2206 86 4 4.6064 29.6256 47.2789 1.2105 -0.1739 87 4 5.4522 35.9511 66.1937 1.5026 -0.3345 88 4 4.9622 34.5603 45.0159 1.2354 -0.1905 89 4 3.1848 33.0648 100.8173 1.4297 -0.3006 90 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 91 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 92 4 3.6115 5.4991 83.8139 1.5125 -0.3389 93 4 4.9622 34.5603 45.0159 1.2354 -0.1905 94 4 3.9377 5.4591 102.3339 1.5962 -0.3735 95 4 2.6174 39.2177 178.8837 2.6512 -0.6228 96 4 1.0481 55.4589 132.3457 1.4262 -0.2989 97 4 3.1848 33.0648 100.8173 1.4297 -0.3006 98 4 2.6174 39.2177 178.8837 2.6512 -0.6228 99 4 3.1848 33.0648 100.8173 1.4297 -0.3006 100 4 2.6174 39.2177 178.8837 2.6512 -0.6228 101 4 3.1848 33.0648 100.8173 1.4297 -0.3006 102 4 2.6174 39.2177 178.8838 2.6512 -0.6228 103 4 4.9622 34.5604 45.0159 1.2354 -0.1905 104 4 3.6115 5.4991 83.8139 1.5125 -0.3389 105 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 106 4 1.0481 55.4589 132.3457 1.4262 -0.2989 107 4 2.6174 39.2177 178.8838 2.6512 -0.6228 108 4 3.9377 5.4591 102.3340 1.5962 -0.3735 109 4 4.9328 26.7272 31.2979 1.1065 -0.0962 110 4 3.9377 5.4591 102.3339 1.5962 -0.3735 111 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 112 4 0.8858 -33.6215 89.8952 1.1718 -0.1466 113 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 114 4 3.9377 5.4591 102.3339 1.5962 -0.3735 115 4 3.9377 5.4591 102.3339 1.5962 -0.3735 116 4 4.9622 34.5603 45.0159 1.2354 -0.1905 117 4 3.6115 5.4991 83.8139 1.5125 -0.3389 118 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 119 4 1.0481 55.4589 132.3457 1.4262 -0.2989 120 4 2.6174 39.2177 178.8837 2.6512 -0.6228 121 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 122 4 3.6115 5.4991 83.8139 1.5125 -0.3389 123 4 4.9622 34.5603 45.0159 1.2354 -0.1905 124 4 3.9377 5.4591 102.3339 1.5962 -0.3735 125 4 2.6174 39.2177 178.8837 2.6512 -0.6228 126 4 1.0481 55.4589 132.3457 1.4262 -0.2989 127 4 0.8858 -33.6215 89.8952 1.1718 -0.1466 128 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 129 4 3.9377 5.4591 102.3339 1.5962 -0.3735 130 4 4.9328 26.7272 31.2979 1.1065 -0.0962 131 4 3.9377 5.4591 102.3339 1.5962 -0.3735 132 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 133 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 134 4 1.0481 55.4589 132.3457 1.4262 -0.2989 135 4 2.6174 39.2177 178.8837 2.6512 -0.6228 136 4 3.9377 5.4591 102.3339 1.5962 -0.3735 137 4 4.9622 34.5603 45.0159 1.2354 -0.1905 138 4 3.6115 5.4991 83.8140 1.5125 -0.3389 139 4 3.9377 5.4591 102.3340 1.5962 -0.3735 140 4 2.6174 39.2177 178.8838 2.6512 -0.6228 141 4 1.0481 55.4589 132.3457 1.4262 -0.2989 142 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 143 4 3.6115 5.4991 83.8140 1.5125 -0.3389 144 4 4.9622 34.5604 45.0159 1.2354 -0.1905 145 4 5.4522 35.9512 66.1938 1.5026 -0.3345 146 4 4.9622 34.5604 45.0160 1.2354 -0.1905 147 4 3.1848 33.0648 100.8173 1.4297 -0.3006 148 4 1.9142 -3.6827 60.7243 1.3663 -0.2681 149 4 2.4543 -40.0716 95.9330 1.2831 -0.2206 150 4 4.6064 29.6256 47.2789 1.2105 -0.1739 151 4 4.9622 34.5603 45.0159 1.2354 -0.1905 152 4 3.9377 5.4591 102.3339 1.5962 -0.3735 153 4 2.6174 39.2177 178.8838 2.6512 -0.6228 154 4 1.0481 55.4589 132.3457 1.4262 -0.2989 155 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 156 4 3.6115 5.4991 83.8139 1.5125 -0.3389 157 4 3.1848 33.0648 100.8173 1.4297 -0.3006 158 4 2.6174 39.2177 178.8837 2.6512 -0.6228 159 4 3.1848 33.0648 100.8173 1.4297 -0.3006 160 4 2.6174 39.2177 178.8837 2.6512 -0.6228 161 4 3.1848 33.0648 100.8173 1.4297 -0.3006 162 4 2.6174 39.2177 178.8838 2.6512 -0.6228 163 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 164 4 1.0481 55.4589 132.3457 1.4262 -0.2989 165 4 2.6174 39.2177 178.8837 2.6512 -0.6228 166 4 3.9377 5.4591 102.3339 1.5962 -0.3735 167 4 4.9622 34.5603 45.0159 1.2354 -0.1905 168 4 3.6115 5.4991 83.8139 1.5125 -0.3389 169 4 2.4543 -40.0716 95.9330 1.2831 -0.2206 170 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 171 4 3.1848 33.0648 100.8173 1.4297 -0.3006 172 4 4.9622 34.5604 45.0160 1.2354 -0.1905 173 4 5.4522 35.9512 66.1937 1.5026 -0.3345 174 4 4.6064 29.6256 47.2789 1.2105 -0.1739 175 4 4.6064 29.6256 47.2789 1.2105 -0.1739 176 4 3.6115 5.4991 83.8140 1.5125 -0.3389 177 4 2.6174 39.2177 178.8838 2.6512 -0.6228 178 4 3.6115 5.4991 83.8140 1.5125 -0.3389 179 4 4.6064 29.6256 47.2789 1.2105 -0.1739 180 4 6.2138 14.3584 1.2136 0.9875 0.0126 181 4 6.4242 23.5975 34.7921 1.2124 -0.1752 182 4 6.2138 14.3584 1.2136 0.9875 0.0126 183 4 4.9622 34.5604 45.0159 1.2354 -0.1905 184 4 3.9377 5.4591 102.3340 1.5962 -0.3735 185 4 4.6064 29.6256 47.2789 1.2105 -0.1739 186 4 5.4498 32.9846 69.1851 1.5380 -0.3498 187 4 6.2138 14.3584 1.2136 0.9875 0.0126 188 4 4.6064 29.6256 47.2789 1.2105 -0.1739 189 4 3.6115 5.4991 83.8139 1.5125 -0.3389 190 4 2.6174 39.2177 178.8838 2.6512 -0.6228 191 4 3.6115 5.4991 83.8140 1.5125 -0.3389 192 4 4.6064 29.6256 47.2789 1.2105 -0.1739 193 4 4.9622 34.5604 45.0159 1.2354 -0.1905 194 4 3.6115 5.4991 83.8139 1.5125 -0.3389 195 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 196 4 1.0481 55.4589 132.3457 1.4262 -0.2989 197 4 2.6174 39.2177 178.8838 2.6512 -0.6228 198 4 3.9377 5.4591 102.3339 1.5962 -0.3735 199 4 3.9377 5.4591 102.3339 1.5962 -0.3735 200 4 2.6174 39.2177 178.8838 2.6512 -0.6228 201 4 1.0481 55.4589 132.3457 1.4262 -0.2989 202 4 1.9142 -3.6827 60.7242 1.3663 -0.2681 203 4 3.6115 5.4991 83.8139 1.5125 -0.3389 204 4 4.9622 34.5604 45.0160 1.2354 -0.1905 205 4 4.6064 29.6256 47.2789 1.2105 -0.1739 206 4 3.6115 5.4991 83.8140 1.5125 -0.3389 207 4 2.6174 39.2177 178.8838 2.6512 -0.6228 208 4 3.6115 5.4991 83.8140 1.5125 -0.3389 209 4 4.6064 29.6256 47.2789 1.2105 -0.1739 210 4 6.2138 14.3584 1.2136 0.9875 0.0126 211 4 5.4498 32.9846 69.1851 1.5380 -0.3498 212 4 4.6064 29.6256 47.2789 1.2105 -0.1739 213 4 3.9377 5.4591 102.3340 1.5962 -0.3735 214 4 4.9622 34.5604 45.0160 1.2354 -0.1905 215 4 6.2138 14.3584 1.2136 0.9875 0.0126 216 4 6.4242 23.5975 34.7920 1.2124 -0.1752 =================================================================== Eliashberg Spectral Function in the Migdal Approximation =================================================================== lambda : 0.1228975 lambda_tr : 0.1045627 Estimated Allen-Dynes Tc logavg = 0.0005349 l_a2F = 0.1229007 mu = 0.10 Tc = 0.000000000000 K a2F : 0.17s CPU 0.09s WALL ( 1 calls) Unfolding on the coarse grid elphon_wrap : 168.69s CPU 84.73s WALL ( 1 calls) INITIALIZATION: init_vloc : 0.20s CPU 0.11s WALL ( 29 calls) init_us_1 : 2.54s CPU 1.27s WALL ( 29 calls) Electron-Phonon interpolation ephwann : 8.30s CPU 4.20s WALL ( 1 calls) ep-interp : 7.90s CPU 3.98s WALL ( 216 calls) PH SELF-ENER : 0.18s CPU 0.11s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) ep: step 1 : 0.00s CPU 0.00s WALL ( 81 calls) ep: step 2 : 0.03s CPU 0.02s WALL ( 81 calls) DynW2B : 0.01s CPU 0.00s WALL ( 216 calls) HamW2B : 3.76s CPU 1.87s WALL ( 93744 calls) ephW2Bp : 0.08s CPU 0.04s WALL ( 216 calls) Total program execution EPW : 3m16.89s CPU 1m38.95s WALL test-suite/epw_metal/nscf_epw.in0000644000175000001440000000523212774703212016474 0ustar fspigausers &control calculation = 'nscf' prefix = 'pb' wf_collect = .false. pseudo_dir = './' outdir = './' / &system ibrav = 2 celldm(1) = 9.27 nat = 1 ntyp = 1 ecutwfc = 60 occupations = 'smearing' smearing = 'mp' degauss = 0.02 / &electrons diagonalization = 'david' mixing_beta = 0.7 conv_thr = 1.0d-10 / ATOMIC_SPECIES Pb 207.2 pb_s.UPF ATOMIC_POSITIONS crystal Pb 0.000000000 0.000000000 0.000000000 K_POINTS crystal 27 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.037037037037 0.0000000000000000 0.0000000000000000 0.3333333333333333 0.037037037037 0.0000000000000000 0.0000000000000000 0.6666666666666667 0.037037037037 0.0000000000000000 0.3333333333333333 0.0000000000000000 0.037037037037 0.0000000000000000 0.3333333333333333 0.3333333333333333 0.037037037037 0.0000000000000000 0.3333333333333333 0.6666666666666667 0.037037037037 0.0000000000000000 0.6666666666666667 0.0000000000000000 0.037037037037 0.0000000000000000 0.6666666666666667 0.3333333333333333 0.037037037037 0.0000000000000000 0.6666666666666667 0.6666666666666667 0.037037037037 0.3333333333333333 0.0000000000000000 0.0000000000000000 0.037037037037 0.3333333333333333 0.0000000000000000 0.3333333333333333 0.037037037037 0.3333333333333333 0.0000000000000000 0.6666666666666667 0.037037037037 0.3333333333333333 0.3333333333333333 0.0000000000000000 0.037037037037 0.3333333333333333 0.3333333333333333 0.3333333333333333 0.037037037037 0.3333333333333333 0.3333333333333333 0.6666666666666667 0.037037037037 0.3333333333333333 0.6666666666666667 0.0000000000000000 0.037037037037 0.3333333333333333 0.6666666666666667 0.3333333333333333 0.037037037037 0.3333333333333333 0.6666666666666667 0.6666666666666667 0.037037037037 0.6666666666666667 0.0000000000000000 0.0000000000000000 0.037037037037 0.6666666666666667 0.0000000000000000 0.3333333333333333 0.037037037037 0.6666666666666667 0.0000000000000000 0.6666666666666667 0.037037037037 0.6666666666666667 0.3333333333333333 0.0000000000000000 0.037037037037 0.6666666666666667 0.3333333333333333 0.3333333333333333 0.037037037037 0.6666666666666667 0.3333333333333333 0.6666666666666667 0.037037037037 0.6666666666666667 0.6666666666666667 0.0000000000000000 0.037037037037 0.6666666666666667 0.6666666666666667 0.3333333333333333 0.037037037037 0.6666666666666667 0.6666666666666667 0.6666666666666667 0.037037037037 test-suite/epw_metal/pp.py0000644000175000001440000000162512774703212015333 0ustar fspigausers# # Post-processing script QE --> EPW # 14/07/2015 - Samuel Ponce # import os # Enter the number of irr. q-points user_input = raw_input('Enter the prefix used for PH calculations (e.g. diam)\n') prefix = str(user_input) # Enter the number of irr. q-points user_input = raw_input('Enter the number of irreducible q-points\n') nqpt = user_input try: nqpt = int(user_input) except ValueError: raise Exception('The value you enter is not an integer!') os.system('mkdir save') for iqpt in range(nqpt+1): label = str(iqpt) os.system('cp '+prefix+'.dyn'+str(iqpt)+' save/'+prefix+'.dyn_q'+label) if (iqpt == 1): os.system('cp _ph0/'+prefix+'.dvscf* save/'+prefix+'.dvscf_q'+label) os.system('cp -r _ph0/'+prefix+'.phsave save/') else: os.system('cp _ph0/'+prefix+'.q_'+str(iqpt)+'/'+prefix+'.dvscf* save/'+prefix+'.dvscf_q'+label) os.system('rm _ph0/'+prefix+'.q_'+str(iqpt)+'/*wfc*' ) test-suite/epw_metal/scf_epw.in0000644000175000001440000000134612774703212016320 0ustar fspigausers &control calculation = 'scf' prefix = 'pb' restart_mode = 'from_scratch' wf_collect = .true. pseudo_dir = './' outdir = './' verbosity = 'high' tprnfor = .true. tstress = .true. / &system ibrav = 2 celldm(1) = 9.27 nat = 1 ntyp = 1 ecutwfc = 60 occupations = 'smearing' smearing = 'mp' degauss = 0.025 / &electrons diagonalization = 'david' mixing_beta = 0.7 conv_thr = 1.0d-10 / ATOMIC_SPECIES Pb 207.2 pb_s.UPF ATOMIC_POSITIONS crystal Pb 0.000000000 0.000000000 0.000000000 K_POINTS AUTOMATIC 3 3 3 0 0 0 test-suite/epw_metal/ph.in0000644000175000001440000000024212774703212015273 0ustar fspigausers-- &inputph prefix = 'pb' fildvscf = 'dvscf' ldisp = .true outdir = './' fildyn = 'pb.dyn' nq1=3, nq2=3, nq3=3, tr2_ph = 1.0d-14 / test-suite/epw_metal/epw.in0000644000175000001440000000314112774703212015460 0ustar fspigausers-- &inputepw prefix = 'pb' amass(1) = 207.2 outdir = './' elph = .true. kmaps = .false. epbwrite = .true. epbread = .false. epwwrite = .true. epwread = .false. nbndsub = 4 nbndskip = 5 wannierize = .true. num_iter = 300 dis_win_max = 21 dis_win_min = -3 dis_froz_min= -3 dis_froz_max= 13.5 proj(1) = 'Pb:sp3' wdata(1) = 'bands_plot = .true.' wdata(2) = 'begin kpoint_path' wdata(3) = 'G 0.00 0.00 0.00 X 0.00 0.50 0.50' wdata(4) = 'X 0.00 0.50 0.50 W 0.25 0.50 0.75' wdata(5) = 'W 0.25 0.50 0.75 L 0.50 0.50 0.50' wdata(6) = 'L 0.50 0.50 0.50 K 0.375 0.375 0.75' wdata(7) = 'K 0.375 0.375 0.75 G 0.00 0.00 0.00' wdata(8) = 'G 0.00 0.00 0.00 L 0.50 0.50 0.50' wdata(9) = 'end kpoint_path' wdata(10) = 'bands_plot_format = gnuplot' iverbosity = 0 elecselfen = .true. phonselfen = .true. a2f = .true. parallel_k = .true. parallel_q = .false. fsthick = 6 ! eV eptemp = 300 ! K degaussw = 0.1 ! eV degaussq = 0.05 ! meV dvscf_dir = './save' filukk = './SiC.ukk' nkf1 = 6 nkf2 = 6 nkf3 = 6 nqf1 = 6 nqf2 = 6 nqf3 = 6 nk1 = 3 nk2 = 3 nk3 = 3 nq1 = 3 nq2 = 3 nq3 = 3 / 4 cartesian 0.000000000000 0.000000000000 0.000000000000 0.0740741 -0.333333333333 0.333333333333 -0.333333333333 0.5925926 0.000000000000 0.666666666667 0.000000000000 0.4444444 0.666666666667 0.000000000000 0.666666666667 0.8888889 test-suite/epw_metal/pb_s.UPF0000644000175000001440000144102212774703212015641 0ustar fspigausers Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Author: anonymous Generation date: 26Sep2013 Pseudopotential type: NC Element: Pb Functional: PZ Suggested minimum cutoff for wavefunctions: 0. Ry Suggested minimum cutoff for charge density: 0. Ry The Pseudo was generated with a Fully-Relativistic Calculation L component and cutoff radius for Local Potential: 0 2.2000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5D 3 2 4.00 2.100 2.100 -1.598592 5D 3 2 6.00 2.100 2.100 -1.407985 6P 2 1 2.00 2.500 2.500 -0.310783 6P 2 1 0.00 2.500 2.500 -0.206823 6S 1 0 2.00 2.371 2.371 -0.845637 Generation configuration: 5D 3 2 4.00 2.100 2.100 -1.598592 5D 3 2 6.00 2.100 2.100 -1.407982 6P 2 1 2.00 2.500 2.500 -0.310785 6P 2 1 0.00 2.500 2.500 -0.206822 6S 1 0 2.00 2.200 2.200 -0.845633 Pseudization used: troullier-martins 1.112051177505508E-005 1.126039059352466E-005 1.140202887093393E-005 1.154544873855188E-005 1.169067260602463E-005 1.183772316487694E-005 1.198662339205779E-005 1.213739655353063E-005 1.229006620790866E-005 1.244465621013603E-005 1.260119071521509E-005 1.275969418198071E-005 1.292019137692207E-005 1.308270737805240E-005 1.324726757882753E-005 1.341389769211364E-005 1.358262375420492E-005 1.375347212889186E-005 1.392646951158058E-005 1.410164293346412E-005 1.427901976574603E-005 1.445862772391723E-005 1.464049487208660E-005 1.482464962736603E-005 1.501112076431074E-005 1.519993741941524E-005 1.539112909566603E-005 1.558472566715152E-005 1.578075738372985E-005 1.597925487575561E-005 1.618024915886575E-005 1.638377163882594E-005 1.658985411643773E-005 1.679852879250752E-005 1.700982827287803E-005 1.722378557352295E-005 1.744043412570578E-005 1.765980778120361E-005 1.788194081759638E-005 1.810686794362301E-005 1.833462430460454E-005 1.856524548793575E-005 1.879876752864573E-005 1.903522691502844E-005 1.927466059434411E-005 1.951710597859225E-005 1.976260095035740E-005 2.001118386872837E-005 2.026289357529188E-005 2.051776940020172E-005 2.077585116832407E-005 2.103717920546027E-005 2.130179434464780E-005 2.156973793254050E-005 2.184105183586914E-005 2.211577844798311E-005 2.239396069547448E-005 2.267564204488538E-005 2.296086650949972E-005 2.324967865622044E-005 2.354212361253304E-005 2.383824707355692E-005 2.413809530918533E-005 2.444171517131511E-005 2.474915410116749E-005 2.506046013670072E-005 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1.375223261137386E-031 5.400035004602552E-032 2.095333506138586E-032 8.033001862818141E-033 3.042319332356790E-033 1.138065376261843E-033 4.204337149139864E-034 1.533653844840557E-034 5.523156721541879E-035 1.963393911171331E-035 6.888371065984567E-036 2.384749261385594E-036 8.145414282205374E-037 2.744442612857724E-037 9.119918993159806E-038 2.988464141605314E-038 9.654922679042051E-039 3.074791789951809E-039 9.650955035171582E-040 2.984922482240565E-040 9.095436107065170E-041 2.729984692273409E-041 8.069759559943855E-042 2.348773425854459E-042 6.730033071524146E-043 1.898030341535409E-043 5.267593335221588E-044 1.438323686539333E-044 3.863201790240127E-045 1.020456435532066E-045 2.650371010188713E-046 test-suite/epw_metal/benchmark.out.6.0.inp=scf_epw.in.args=10000644000175000001440000010765512774703212023310 0ustar fspigausers Program PWSCF v.5.4.0 (svn rev. 12493) starts on 21Jun2016 at 15:39:20 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote HOST : @host@ ARCH : x86_64 CC : cc CPP : cpp F90 : mpif90 F77 : gfortran DFLAGS : -D__GFORTRAN -D__STD_F95 -D__FFTW -D__MPI -D__PARA BLAS LIBS : /home/sponce/program/espresso/BLAS/blas.a LAPACK LIBS : /home/sponce/program/espresso/lapack-3.2/lapack.a FFT LIBS : MASS LIBS : Parallel version (MPI), running on 1 processors Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 703 703 211 12387 12387 1989 bravais-lattice index = 2 lattice parameter (alat) = 9.2700 a.u. unit-cell volume = 199.1495 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 14.00 number of Kohn-Sham states= 11 kinetic-energy cutoff = 60.0000 Ry charge density cutoff = 240.0000 Ry convergence threshold = 1.0E-10 mixing beta = 0.7000 number of iterations used = 8 plain mixing Exchange-correlation = PZ ( 1 1 0 0 0 0) celldm(1)= 9.270000 celldm(2)= 0.000000 celldm(3)= 0.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( -0.500000 0.000000 0.500000 ) a(2) = ( 0.000000 0.500000 0.500000 ) a(3) = ( -0.500000 0.500000 0.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( -1.000000 -1.000000 1.000000 ) b(2) = ( 1.000000 1.000000 1.000000 ) b(3) = ( -1.000000 1.000000 -1.000000 ) PseudoPot. # 1 for Pb read from file: ./pb_s.UPF MD5 check sum: 7774f596943a2055f0d8d19eea6f2ae8 Pseudo is Norm-conserving, Zval = 14.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1281 points, 2 beta functions with: l(1) = 2 l(2) = 1 atomic species valence mass pseudopotential Pb 14.00 207.20000 Pb( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( -1 0 1 ) ( -1 1 0 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 0 -1 1 ) ( 0 -1 0 ) ( 1 -1 0 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( -1 0 1 ) ( 0 -1 1 ) ( 0 0 1 ) cart. s( 6) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( 0 1 -1 ) ( -1 1 0 ) cart. s( 7) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 1 0 -1 ) ( 1 0 0 ) ( 1 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 1 -1 ) ( -1 1 0 ) ( 0 1 0 ) cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 -1 1 ) ( 0 0 1 ) ( -1 0 1 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 0 0 1 ) ( -1 0 1 ) ( 0 -1 1 ) cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 -1 0 ) ( 1 0 -1 ) ( 1 0 0 ) cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( -1 0 1 ) ( -1 1 0 ) ( -1 0 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 1 0 -1 ) ( 0 0 -1 ) ( 0 1 -1 ) cart. s(19) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s(20) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 0 -1 ) ( 0 1 -1 ) ( 1 0 -1 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s(22) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 1 -1 0 ) ( 0 -1 1 ) ( 0 -1 0 ) cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 0 -1 1 ) ( -1 0 1 ) ( 0 0 1 ) cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 1 0 -1 ) ( 1 -1 0 ) cart. s(27) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( 0 1 -1 ) ( 0 1 0 ) ( -1 1 0 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(29) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 -1 0 ) ( 0 -1 1 ) ( 1 -1 0 ) cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( -1 0 1 ) ( -1 0 0 ) ( -1 1 0 ) cart. s(32) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(33) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 -1 1 ) ( 1 -1 0 ) ( 0 -1 0 ) cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 1 -1 ) ( 0 0 -1 ) ( 1 0 -1 ) cart. s(36) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(37) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( 0 0 -1 ) ( 1 0 -1 ) ( 0 1 -1 ) cart. s(39) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 1 0 ) ( -1 0 1 ) ( -1 0 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 1 0 -1 ) ( 1 -1 0 ) ( 1 0 0 ) cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( -1 0 1 ) ( 0 0 1 ) ( 0 -1 1 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 0 1 ) ( 0 -1 1 ) ( -1 0 1 ) cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( -1 1 0 ) ( 0 1 -1 ) ( 0 1 0 ) cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) point group O_h (m-3m) there are 10 classes the character table: E 8C3 3C2 6C4 6C2' i 8S6 3s_h 6S4 6s_d A_1g 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 A_2g 1.00 1.00 1.00 -1.00 -1.00 1.00 1.00 1.00 -1.00 -1.00 E_g 2.00 -1.00 2.00 0.00 0.00 2.00 -1.00 2.00 0.00 0.00 T_1g 3.00 0.00 -1.00 1.00 -1.00 3.00 0.00 -1.00 1.00 -1.00 T_2g 3.00 0.00 -1.00 -1.00 1.00 3.00 0.00 -1.00 -1.00 1.00 A_1u 1.00 1.00 1.00 1.00 1.00 -1.00 -1.00 -1.00 -1.00 -1.00 A_2u 1.00 1.00 1.00 -1.00 -1.00 -1.00 -1.00 -1.00 1.00 1.00 E_u 2.00 -1.00 2.00 0.00 0.00 -2.00 1.00 -2.00 0.00 0.00 T_1u 3.00 0.00 -1.00 1.00 -1.00 -3.00 0.00 1.00 -1.00 1.00 T_2u 3.00 0.00 -1.00 -1.00 1.00 -3.00 0.00 1.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] 3C2 2 4 3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] 6C2' 5 6 14 13 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] 3s_h 26 28 27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] 6s_d 29 30 38 37 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes site n. atom positions (alat units) 1 Pb tau( 1) = ( 0.0000000 0.0000000 0.0000000 ) Crystallographic axes site n. atom positions (cryst. coord.) 1 Pb tau( 1) = ( 0.0000000 0.0000000 0.0000000 ) number of k points= 4 Methfessel-Paxton smearing, width (Ry)= 0.0250 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0740741 k( 2) = ( -0.3333333 0.3333333 -0.3333333), wk = 0.5925926 k( 3) = ( 0.0000000 0.6666667 0.0000000), wk = 0.4444444 k( 4) = ( 0.6666667 -0.0000000 0.6666667), wk = 0.8888889 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0740741 k( 2) = ( 0.0000000 0.0000000 0.3333333), wk = 0.5925926 k( 3) = ( 0.0000000 0.3333333 0.3333333), wk = 0.4444444 k( 4) = ( 0.0000000 0.3333333 -0.3333333), wk = 0.8888889 Dense grid: 12387 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 1580, 11) NL pseudopotentials 0.19 Mb ( 1580, 8) Each V/rho on FFT grid 0.71 Mb ( 46656) Each G-vector array 0.09 Mb ( 12387) G-vector shells 0.00 Mb ( 175) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.06 Mb ( 1580, 44) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.00 Mb ( 8, 11) Arrays for rho mixing 5.70 Mb ( 46656, 8) Initial potential from superposition of free atoms starting charge 13.99923, renormalised to 14.00000 Starting wfc are 9 randomized atomic wfcs + 2 random wfc total cpu time spent up to now is 0.4 secs per-process dynamical memory: 11.4 Mb Self-consistent Calculation iteration # 1 ecut= 60.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 4.2 Threshold (ethr) on eigenvalues was too large: Diagonalizing with lowered threshold Davidson diagonalization with overlap ethr = 6.74E-05, avg # of iterations = 1.8 total cpu time spent up to now is 1.3 secs total energy = -119.53911991 Ry Harris-Foulkes estimate = -119.54461162 Ry estimated scf accuracy < 0.00956363 Ry iteration # 2 ecut= 60.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 6.83E-05, avg # of iterations = 3.2 total cpu time spent up to now is 1.8 secs total energy = -119.54067050 Ry Harris-Foulkes estimate = -119.54090760 Ry estimated scf accuracy < 0.00048537 Ry iteration # 3 ecut= 60.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 3.47E-06, avg # of iterations = 2.2 total cpu time spent up to now is 2.2 secs total energy = -119.54073374 Ry Harris-Foulkes estimate = -119.54073978 Ry estimated scf accuracy < 0.00002247 Ry iteration # 4 ecut= 60.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.60E-07, avg # of iterations = 1.0 total cpu time spent up to now is 2.6 secs total energy = -119.54073497 Ry Harris-Foulkes estimate = -119.54073496 Ry estimated scf accuracy < 0.00000011 Ry iteration # 5 ecut= 60.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 7.56E-10, avg # of iterations = 2.2 total cpu time spent up to now is 3.1 secs total energy = -119.54073501 Ry Harris-Foulkes estimate = -119.54073503 Ry estimated scf accuracy < 0.00000002 Ry iteration # 6 ecut= 60.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.27E-10, avg # of iterations = 2.0 total cpu time spent up to now is 3.5 secs total energy = -119.54073502 Ry Harris-Foulkes estimate = -119.54073502 Ry estimated scf accuracy < 1.8E-09 Ry iteration # 7 ecut= 60.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.32E-11, avg # of iterations = 2.0 total cpu time spent up to now is 4.0 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -5.5635 -5.5635 -5.5635 -5.4022 -5.4022 -0.5737 18.6327 18.6327 18.6327 21.9477 22.9972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 k =-0.3333 0.3333-0.3333 ( 1540 PWs) bands (ev): -5.5864 -5.5317 -5.5317 -5.3154 -5.3154 1.5754 9.7460 17.2082 17.2082 20.8948 22.5624 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.6763 -0.0000 -0.0000 -0.0000 -0.0000 k = 0.0000 0.6667 0.0000 ( 1580 PWs) bands (ev): -5.7000 -5.5748 -5.3124 -5.3124 -5.3002 2.2921 11.2650 14.2103 14.2103 18.1260 18.9957 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 k = 0.6667-0.0000 0.6667 ( 1568 PWs) bands (ev): -5.6238 -5.4488 -5.4004 -5.3676 -5.3022 4.1691 9.4624 9.7032 14.9408 18.7583 25.8659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0294 0.7698 -0.0000 -0.0000 -0.0000 the Fermi energy is 9.8187 ev ! total energy = -119.54073502 Ry Harris-Foulkes estimate = -119.54073502 Ry estimated scf accuracy < 5.0E-12 Ry The total energy is the sum of the following terms: one-electron contribution = -32.99451180 Ry hartree contribution = 24.93109769 Ry xc contribution = -14.53469691 Ry ewald contribution = -96.93991011 Ry smearing contrib. (-TS) = -0.00271389 Ry convergence has been achieved in 7 iterations Forces acting on atoms (Ry/au): atom 1 type 1 force = 0.00000000 0.00000000 0.00000000 The non-local contrib. to forces atom 1 type 1 force = -0.00000000 -0.00000000 0.00000000 The ionic contribution to forces atom 1 type 1 force = -0.00000000 -0.00000000 -0.00000000 The local contribution to forces atom 1 type 1 force = 0.00000000 -0.00000000 -0.00000000 The core correction contribution to forces atom 1 type 1 force = 0.00000000 0.00000000 0.00000000 The Hubbard contrib. to forces atom 1 type 1 force = 0.00000000 0.00000000 0.00000000 The SCF correction term to forces atom 1 type 1 force = -0.00000000 0.00000000 -0.00000000 Total force = 0.000000 Total SCF correction = 0.000000 entering subroutine stress ... total stress (Ry/bohr**3) (kbar) P= -20.78 -0.00014127 -0.00000000 0.00000000 -20.78 -0.00 0.00 -0.00000000 -0.00014127 0.00000000 -0.00 -20.78 0.00 0.00000000 -0.00000000 -0.00014127 0.00 -0.00 -20.78 kinetic stress (kbar) 34581.92 0.00 0.00 0.00 34581.92 -0.00 0.00 -0.00 34581.92 local stress (kbar) 32811.08 0.00 0.00 0.00 32811.08 -0.00 0.00 -0.00 32811.08 nonloc. stress (kbar) -46353.32 -0.00 -0.00 -0.00 -46353.32 0.00 -0.00 0.00 -46353.32 hartree stress (kbar) 6138.59 -0.00 -0.00 -0.00 6138.59 0.00 -0.00 0.00 6138.59 exc-cor stress (kbar) -3330.29 0.00 0.00 0.00 -3330.29 0.00 0.00 0.00 -3330.29 corecor stress (kbar) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 ewald stress (kbar) -23868.75 -0.00 0.00 -0.00 -23868.75 0.00 0.00 0.00 -23868.75 hubbard stress (kbar) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 london stress (kbar) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 XDM stress (kbar) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 dft-nl stress (kbar) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 TS-vdW stress (kbar) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Writing output data file pb.save init_run : 0.75s CPU 0.37s WALL ( 1 calls) electrons : 7.04s CPU 3.53s WALL ( 1 calls) forces : 0.04s CPU 0.02s WALL ( 1 calls) stress : 0.36s CPU 0.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.29s CPU 0.14s WALL ( 1 calls) potinit : 0.04s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 5.62s CPU 2.82s WALL ( 8 calls) sum_band : 1.27s CPU 0.63s WALL ( 8 calls) v_of_rho : 0.12s CPU 0.06s WALL ( 8 calls) v_h : 0.04s CPU 0.02s WALL ( 8 calls) v_xc : 0.08s CPU 0.04s WALL ( 8 calls) mix_rho : 0.05s CPU 0.03s WALL ( 8 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.06s WALL ( 76 calls) cegterg : 5.51s CPU 2.76s WALL ( 32 calls) Called by sum_band: Called by *egterg: h_psi : 5.44s CPU 2.72s WALL ( 111 calls) g_psi : 0.04s CPU 0.02s WALL ( 75 calls) cdiaghg : 0.03s CPU 0.02s WALL ( 103 calls) cegterg:over : 0.10s CPU 0.05s WALL ( 75 calls) cegterg:upda : 0.06s CPU 0.03s WALL ( 75 calls) cegterg:last : 0.04s CPU 0.02s WALL ( 32 calls) Called by h_psi: h_psi:vloc : 5.36s CPU 2.69s WALL ( 111 calls) h_psi:vnl : 0.06s CPU 0.03s WALL ( 111 calls) add_vuspsi : 0.03s CPU 0.01s WALL ( 111 calls) General routines calbec : 0.04s CPU 0.02s WALL ( 131 calls) fft : 0.16s CPU 0.08s WALL ( 38 calls) fftw : 5.92s CPU 2.96s WALL ( 2170 calls) Parallel routines fft_scatter : 0.25s CPU 0.12s WALL ( 2208 calls) PWSCF : 8.36s CPU 4.19s WALL This run was terminated on: 15:39:24 21Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------= test-suite/epw_metal/benchmark.out.6.0.inp=nscf_epw.in.args=10000644000175000001440000003124012774703212023450 0ustar fspigausers Program PWSCF v.5.4.0 (svn rev. 12493) starts on 21Jun2016 at 15:39:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote HOST : @host@ ARCH : x86_64 CC : cc CPP : cpp F90 : mpif90 F77 : gfortran DFLAGS : -D__GFORTRAN -D__STD_F95 -D__FFTW -D__MPI -D__PARA BLAS LIBS : /home/sponce/program/espresso/BLAS/blas.a LAPACK LIBS : /home/sponce/program/espresso/lapack-3.2/lapack.a FFT LIBS : MASS LIBS : Parallel version (MPI), running on 1 processors Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./pb.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 703 703 211 12387 12387 2109 bravais-lattice index = 2 lattice parameter (alat) = 9.2700 a.u. unit-cell volume = 199.1495 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 14.00 number of Kohn-Sham states= 11 kinetic-energy cutoff = 60.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PZ ( 1 1 0 0 0 0) celldm(1)= 9.270000 celldm(2)= 0.000000 celldm(3)= 0.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( -0.500000 0.000000 0.500000 ) a(2) = ( 0.000000 0.500000 0.500000 ) a(3) = ( -0.500000 0.500000 0.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( -1.000000 -1.000000 1.000000 ) b(2) = ( 1.000000 1.000000 1.000000 ) b(3) = ( -1.000000 1.000000 -1.000000 ) PseudoPot. # 1 for Pb read from file: ./pb_s.UPF MD5 check sum: 7774f596943a2055f0d8d19eea6f2ae8 Pseudo is Norm-conserving, Zval = 14.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1281 points, 2 beta functions with: l(1) = 2 l(2) = 1 atomic species valence mass pseudopotential Pb 14.00 207.20000 Pb( 1.00) 48 Sym. Ops., with inversion, found Cartesian axes site n. atom positions (alat units) 1 Pb tau( 1) = ( 0.0000000 0.0000000 0.0000000 ) number of k points= 27 Methfessel-Paxton smearing, width (Ry)= 0.0200 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0740741 k( 2) = ( -0.3333333 0.3333333 -0.3333333), wk = 0.0740741 k( 3) = ( -0.6666667 0.6666667 -0.6666667), wk = 0.0740741 k( 4) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0740741 k( 5) = ( 0.0000000 0.6666667 0.0000000), wk = 0.0740741 k( 6) = ( -0.3333333 1.0000000 -0.3333333), wk = 0.0740741 k( 7) = ( 0.6666667 0.6666667 0.6666667), wk = 0.0740741 k( 8) = ( 0.3333333 1.0000000 0.3333333), wk = 0.0740741 k( 9) = ( 0.0000000 1.3333333 0.0000000), wk = 0.0740741 k( 10) = ( -0.3333333 -0.3333333 0.3333333), wk = 0.0740741 k( 11) = ( -0.6666667 0.0000000 0.0000000), wk = 0.0740741 k( 12) = ( -1.0000000 0.3333333 -0.3333333), wk = 0.0740741 k( 13) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0740741 k( 14) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0740741 k( 15) = ( -0.6666667 0.6666667 -0.0000000), wk = 0.0740741 k( 16) = ( 0.3333333 0.3333333 1.0000000), wk = 0.0740741 k( 17) = ( 0.0000000 0.6666667 0.6666667), wk = 0.0740741 k( 18) = ( -0.3333333 1.0000000 0.3333333), wk = 0.0740741 k( 19) = ( -0.6666667 -0.6666667 0.6666667), wk = 0.0740741 k( 20) = ( -1.0000000 -0.3333333 0.3333333), wk = 0.0740741 k( 21) = ( -1.3333333 0.0000000 0.0000000), wk = 0.0740741 k( 22) = ( -0.3333333 -0.3333333 1.0000000), wk = 0.0740741 k( 23) = ( -0.6666667 -0.0000000 0.6666667), wk = 0.0740741 k( 24) = ( -1.0000000 0.3333333 0.3333333), wk = 0.0740741 k( 25) = ( 0.0000000 0.0000000 1.3333333), wk = 0.0740741 k( 26) = ( -0.3333333 0.3333333 1.0000000), wk = 0.0740741 k( 27) = ( -0.6666667 0.6666667 0.6666667), wk = 0.0740741 Dense grid: 12387 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 1580, 11) NL pseudopotentials 0.19 Mb ( 1580, 8) Each V/rho on FFT grid 0.71 Mb ( 46656) Each G-vector array 0.09 Mb ( 12387) G-vector shells 0.00 Mb ( 175) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.06 Mb ( 1580, 44) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.00 Mb ( 8, 11) The potential is recalculated from file : ./pb.save/charge-density.dat Starting wfc are 9 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap ethr = 7.14E-13, avg # of iterations = 17.4 total cpu time spent up to now is 20.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -5.5635 -5.5635 -5.5635 -5.4021 -5.4021 -0.5737 18.6327 18.6327 18.6327 21.9477 22.9972 k =-0.3333 0.3333-0.3333 ( 1540 PWs) bands (ev): -5.5864 -5.5317 -5.5317 -5.3154 -5.3154 1.5754 9.7460 17.2082 17.2082 20.8948 22.5624 k =-0.6667 0.6667-0.6667 ( 1540 PWs) bands (ev): -5.5864 -5.5317 -5.5317 -5.3154 -5.3154 1.5754 9.7460 17.2082 17.2082 20.8948 22.5624 k = 0.3333 0.3333 0.3333 ( 1540 PWs) bands (ev): -5.5864 -5.5317 -5.5317 -5.3154 -5.3154 1.5754 9.7460 17.2082 17.2082 20.8948 22.5624 k = 0.0000 0.6667 0.0000 ( 1580 PWs) bands (ev): -5.7000 -5.5748 -5.3123 -5.3123 -5.3002 2.2922 11.2650 14.2103 14.2103 18.1260 18.9957 k =-0.3333 1.0000-0.3333 ( 1568 PWs) bands (ev): -5.6238 -5.4488 -5.4004 -5.3676 -5.3022 4.1691 9.4624 9.7032 14.9408 18.7583 25.8659 k = 0.6667 0.6667 0.6667 ( 1540 PWs) bands (ev): -5.5864 -5.5317 -5.5317 -5.3154 -5.3154 1.5754 9.7460 17.2082 17.2082 20.8948 22.5624 k = 0.3333 1.0000 0.3333 ( 1568 PWs) bands (ev): -5.6238 -5.4488 -5.4004 -5.3676 -5.3022 4.1691 9.4624 9.7032 14.9408 18.7583 25.8659 k = 0.0000 1.3333 0.0000 ( 1580 PWs) bands (ev): -5.7000 -5.5748 -5.3123 -5.3123 -5.3002 2.2922 11.2650 14.2103 14.2103 18.1260 18.9957 k =-0.3333-0.3333 0.3333 ( 1540 PWs) bands (ev): -5.5864 -5.5317 -5.5317 -5.3154 -5.3154 1.5754 9.7460 17.2082 17.2082 20.8948 22.5624 k =-0.6667 0.0000 0.0000 ( 1580 PWs) bands (ev): -5.7000 -5.5748 -5.3123 -5.3123 -5.3002 2.2922 11.2650 14.2103 14.2103 18.1260 18.9957 k =-1.0000 0.3333-0.3333 ( 1568 PWs) bands (ev): -5.6238 -5.4488 -5.4004 -5.3676 -5.3022 4.1691 9.4624 9.7032 14.9408 18.7583 25.8659 k = 0.0000 0.0000 0.6667 ( 1580 PWs) bands (ev): -5.7000 -5.5748 -5.3123 -5.3123 -5.3002 2.2922 11.2650 14.2103 14.2103 18.1260 18.9957 k =-0.3333 0.3333 0.3333 ( 1540 PWs) bands (ev): -5.5864 -5.5317 -5.5317 -5.3154 -5.3154 1.5754 9.7460 17.2082 17.2082 20.8948 22.5624 k =-0.6667 0.6667-0.0000 ( 1568 PWs) bands (ev): -5.6238 -5.4488 -5.4004 -5.3676 -5.3022 4.1691 9.4624 9.7032 14.9408 18.7583 25.8659 k = 0.3333 0.3333 1.0000 ( 1568 PWs) bands (ev): -5.6238 -5.4488 -5.4004 -5.3676 -5.3022 4.1691 9.4624 9.7032 14.9408 18.7583 25.8659 k = 0.0000 0.6667 0.6667 ( 1568 PWs) bands (ev): -5.6238 -5.4488 -5.4004 -5.3676 -5.3022 4.1691 9.4624 9.7032 14.9408 18.7583 25.8659 k =-0.3333 1.0000 0.3333 ( 1568 PWs) bands (ev): -5.6238 -5.4488 -5.4004 -5.3676 -5.3022 4.1691 9.4624 9.7032 14.9408 18.7583 25.8659 k =-0.6667-0.6667 0.6667 ( 1540 PWs) bands (ev): -5.5864 -5.5317 -5.5317 -5.3154 -5.3154 1.5754 9.7460 17.2082 17.2082 20.8948 22.5624 k =-1.0000-0.3333 0.3333 ( 1568 PWs) bands (ev): -5.6238 -5.4488 -5.4004 -5.3676 -5.3022 4.1691 9.4624 9.7032 14.9408 18.7583 25.8659 k =-1.3333 0.0000 0.0000 ( 1580 PWs) bands (ev): -5.7000 -5.5748 -5.3123 -5.3123 -5.3002 2.2922 11.2650 14.2103 14.2103 18.1260 18.9957 k =-0.3333-0.3333 1.0000 ( 1568 PWs) bands (ev): -5.6238 -5.4488 -5.4004 -5.3676 -5.3022 4.1691 9.4624 9.7032 14.9408 18.7583 25.8659 k =-0.6667-0.0000 0.6667 ( 1568 PWs) bands (ev): -5.6238 -5.4488 -5.4004 -5.3676 -5.3022 4.1691 9.4624 9.7032 14.9408 18.7583 25.8659 k =-1.0000 0.3333 0.3333 ( 1568 PWs) bands (ev): -5.6238 -5.4488 -5.4004 -5.3676 -5.3022 4.1691 9.4624 9.7032 14.9408 18.7583 25.8659 k = 0.0000 0.0000 1.3333 ( 1580 PWs) bands (ev): -5.7000 -5.5748 -5.3123 -5.3123 -5.3002 2.2922 11.2650 14.2103 14.2103 18.1260 18.9957 k =-0.3333 0.3333 1.0000 ( 1568 PWs) bands (ev): -5.6238 -5.4488 -5.4004 -5.3676 -5.3022 4.1691 9.4624 9.7032 14.9408 18.7583 25.8659 k =-0.6667 0.6667 0.6667 ( 1540 PWs) bands (ev): -5.5864 -5.5317 -5.5317 -5.3154 -5.3154 1.5754 9.7460 17.2082 17.2082 20.8948 22.5624 the Fermi energy is 9.7979 ev Writing output data file pb.save init_run : 0.73s CPU 0.36s WALL ( 1 calls) electrons : 39.81s CPU 19.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.04s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 39.81s CPU 19.91s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.03s WALL ( 27 calls) cegterg : 36.26s CPU 18.13s WALL ( 28 calls) Called by sum_band: Called by *egterg: h_psi : 35.51s CPU 17.76s WALL ( 526 calls) g_psi : 0.26s CPU 0.13s WALL ( 471 calls) cdiaghg : 0.51s CPU 0.25s WALL ( 498 calls) Called by h_psi: add_vuspsi : 0.23s CPU 0.12s WALL ( 526 calls) General routines calbec : 0.24s CPU 0.12s WALL ( 526 calls) fft : 0.02s CPU 0.01s WALL ( 3 calls) fftw : 32.29s CPU 16.13s WALL ( 6554 calls) davcio : 0.01s CPU 0.01s WALL ( 27 calls) Parallel routines fft_scatter : 1.09s CPU 0.55s WALL ( 6557 calls) PWSCF : 40.96s CPU 20.51s WALL This run was terminated on: 15:39:45 21Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------= test-suite/epw_metal/save/0000755000175000001440000000000012774703214015276 5ustar fspigauserstest-suite/epw_metal/save/pb.phsave/0000755000175000001440000000000012774703212017162 5ustar fspigauserstest-suite/epw_metal/save/pb.phsave/dynmat.1.1.xml0000644000175000001440000000136012774703212021476 0ustar fspigausers T -6.169168734308272E+002, 1.680603213719421E-007 -1.316379996033987E+000, 8.568678663242381E-010 5.343203181017804E-001, 9.036150782772182E-008 -1.316379546212052E+000, 1.875134841222750E-007 -6.174983387868629E+002, 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T F T F F F F F F 4 3 3 3 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 -3.333333333333333E-001 3.333333333333333E-001 -3.333333333333333E-001 0.000000000000000E+000 6.666666666666666E-001 0.000000000000000E+000 6.666666666666667E-001 -5.551115123125783E-017 6.666666666666667E-001 test-suite/epw_metal/save/pb.phsave/dynmat.2.0.xml0000644000175000001440000000136012774703212021476 0ustar fspigausers T 6.400285321515955E+002,-2.222523155822870E-031 3.430313127487708E-002,-8.106201253163192E-003 6.857334688055783E-002, 4.499621859241021E-003 3.430313127486601E-002, 8.106201253159195E-003 6.181265065724947E+002,-2.470246229790973E-015 -1.544396536744927E-001,-4.530163082290870E-001 6.857334688056183E-002,-4.499621859224812E-003 -1.544396536745234E-001, 4.530163082290275E-001 6.175553702891464E+002,-1.154631945610163E-014 test-suite/epw_metal/save/pb.phsave/dynmat.3.0.xml0000644000175000001440000000136012774703212021477 0ustar fspigausers T 6.358529228869043E+002, 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test-suite/epw_metal/save/pb.dyn_q20000644000175000001440000000713612774703214017024 0ustar fspigausersDynamical matrix file 1 1 2 9.2700000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1 'Pb ' 188851.24696980685 1 1 0.0000000000 0.0000000000 0.0000000000 Dynamical Matrix in cartesian axes q = ( -0.333333333 0.333333333 -0.333333333 ) 1 1 0.05191357 0.00000000 -0.01678759 0.00000000 0.01678759 0.00000000 -0.01678759 0.00000000 0.05191357 0.00000000 -0.01678759 0.00000000 0.01678759 0.00000000 -0.01678759 0.00000000 0.05191357 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.333333333 0.333333333 -0.333333333 ) 1 1 0.05191357 0.00000000 0.01678759 0.00000000 -0.01678759 0.00000000 0.01678759 0.00000000 0.05191357 0.00000000 -0.01678759 0.00000000 -0.01678759 0.00000000 -0.01678759 0.00000000 0.05191357 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.333333333 0.333333333 0.333333333 ) 1 1 0.05191357 0.00000000 0.01678759 0.00000000 0.01678759 0.00000000 0.01678759 0.00000000 0.05191357 0.00000000 0.01678759 0.00000000 0.01678759 0.00000000 0.01678759 0.00000000 0.05191357 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.333333333 0.333333333 0.333333333 ) 1 1 0.05191357 0.00000000 -0.01678759 0.00000000 -0.01678759 0.00000000 -0.01678759 0.00000000 0.05191357 0.00000000 0.01678759 0.00000000 -0.01678759 0.00000000 0.01678759 0.00000000 0.05191357 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.333333333 -0.333333333 0.333333333 ) 1 1 0.05191357 0.00000000 -0.01678759 0.00000000 0.01678759 0.00000000 -0.01678759 0.00000000 0.05191357 0.00000000 -0.01678759 0.00000000 0.01678759 0.00000000 -0.01678759 0.00000000 0.05191357 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.333333333 -0.333333333 -0.333333333 ) 1 1 0.05191357 0.00000000 0.01678759 0.00000000 0.01678759 0.00000000 0.01678759 0.00000000 0.05191357 0.00000000 0.01678759 0.00000000 0.01678759 0.00000000 0.01678759 0.00000000 0.05191357 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.333333333 -0.333333333 -0.333333333 ) 1 1 0.05191357 0.00000000 -0.01678759 0.00000000 -0.01678759 0.00000000 -0.01678759 0.00000000 0.05191357 0.00000000 0.01678759 0.00000000 -0.01678759 0.00000000 0.01678759 0.00000000 0.05191357 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.333333333 -0.333333333 0.333333333 ) 1 1 0.05191357 0.00000000 0.01678759 0.00000000 -0.01678759 0.00000000 0.01678759 0.00000000 0.05191357 0.00000000 -0.01678759 0.00000000 -0.01678759 0.00000000 -0.01678759 0.00000000 0.05191357 0.00000000 Diagonalizing the dynamical matrix q = ( -0.333333333 0.333333333 -0.333333333 ) ************************************************************************** freq ( 1) = 1.418827 [THz] = 47.326965 [cm-1] ( 0.500350 0.000000 0.808957 0.000000 0.308607 0.000000 ) freq ( 2) = 1.418827 [THz] = 47.326965 [cm-1] ( -0.645226 0.000000 0.110703 0.000000 0.755929 0.000000 ) freq ( 3) = 2.213449 [THz] = 73.832726 [cm-1] ( 0.577350 0.000000 -0.577350 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