``: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` Program EPW v.4.0.0 (svn rev. 12139) starts on 1Mar2016 at 12:17:37 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 Parallel version (MPI), running on 4 processors K-points division: npool = 4 Reading data from directory: ./sic.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 = SLA PZ NOGX NOGC ( 1 1 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want file C.UPF: wavefunction(s) 3d renormalized G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 559 559 187 8801 8801 1591 Possibly too few bands at point 1 0.00000 0.00000 0.00000 Possibly too few bands at point 2 -0.33333 0.33333 -0.33333 Possibly too few bands at point 3 -0.66667 0.66667 -0.66667 Possibly too few bands at point 4 0.33333 0.33333 0.33333 Possibly too few bands at point 5 0.00000 0.66667 0.00000 Possibly too few bands at point 6 -0.33333 1.00000 -0.33333 Possibly too few bands at point 7 0.66667 0.66667 0.66667 -- bravais-lattice index = 2 lattice parameter (a_0) = 8.2370 a.u. unit-cell volume = 139.7163 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 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 = SLA PZ NOGX NOGC ( 1 1 0 0 0 0) celldm(1)= 8.23700 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 Si 28.0879 tau( 1) = ( 0.00000 0.00000 0.00000 ) 2 C 12.0118 tau( 2) = ( 0.25000 0.25000 0.25000 ) 25 Sym.Ops. (with q -> -q+G ) G cutoff = 412.4674 ( 8801 G-vectors) FFT grid: ( 30, 30, 30) 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 Si read from file: ../../pp/Si.pz-vbc.UPF MD5 check sum: 6dfa03ddd5817404712e03e4d12deb78 Pseudo is Norm-conserving, Zval = 4.0 Generated by new atomic code, or converted to UPF format Using radial grid of 431 points, 2 beta functions with: l(1) = 0 l(2) = 1 PseudoPot. # 2 for C read from file: ../../pp/C.UPF MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53 Pseudo is Norm-conserving, Zval = 4.0 Generated by new atomic code, or converted to UPF format Using radial grid of 461 points, 2 beta functions with: l(1) = 0 l(2) = 1 EPW : 0.22s CPU 0.22s WALL EPW : 0.44s CPU 0.45s 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 ( 4) - Number of wannier functions is ( 4) - All guiding functions are given - All neighbours are found AMN k points = 27 in 4 pools 1 of 7 on ionode 2 of 7 on ionode 3 of 7 on ionode 4 of 7 on ionode 5 of 7 on ionode 6 of 7 on ionode 7 of 7 on ionode AMN calculated MMN k points = 27 in 4 pools 1 of 7 on ionode 2 of 7 on ionode 3 of 7 on ionode 4 of 7 on ionode 5 of 7 on ionode 6 of 7 on ionode 7 of 7 on ionode MMN calculated Running Wannier90 Wannier Function centers (cartesian, alat) and spreads (ang): ( 0.16147 0.16147 0.16147) : 0.87894 ( 0.16147 -0.16147 -0.16147) : 0.87894 ( -0.16147 0.16147 -0.16147) : 0.87894 ( -0.16147 -0.16147 0.16147) : 0.87894 ------------------------------------------------------------------- WANNIER : 3.11s CPU 3.12s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## kmaps : 3.08s CPU 3.08s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 24 =================================================================== irreducible q point # 1 =================================================================== Symmetries of small group of q: 24 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 = 4 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 In addition there is the -q list: 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 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: 4 Number of q in the star = 6 List of q in the star: 1 0.000000000 0.666666667 0.000000000 2 0.000000000 0.000000000 -0.666666667 3 -0.666666667 0.000000000 0.000000000 4 0.666666667 0.000000000 0.000000000 5 0.000000000 -0.666666667 0.000000000 6 0.000000000 0.000000000 0.666666667 q( 10 ) = ( 0.0000000 0.6666667 0.0000000 ) q( 11 ) = ( 0.0000000 0.0000000 -0.6666667 ) q( 12 ) = ( -0.6666667 0.0000000 0.0000000 ) q( 13 ) = ( 0.6666667 0.0000000 0.0000000 ) q( 14 ) = ( 0.0000000 -0.6666667 0.0000000 ) q( 15 ) = ( 0.0000000 0.0000000 0.6666667 ) =================================================================== irreducible q point # 4 =================================================================== Symmetries of small group of q: 2 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 -0.666666667 0.000000000 4 0.000000000 -0.666666667 0.666666667 5 0.000000000 -0.666666667 -0.666666667 6 -0.666666667 0.000000000 0.666666667 7 0.666666667 0.666666667 0.000000000 8 -0.666666667 -0.666666667 0.000000000 9 -0.666666667 0.666666667 0.000000000 10 0.666666667 0.000000000 -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 -0.6666667 0.0000000 ) q( 19 ) = ( 0.0000000 -0.6666667 0.6666667 ) q( 20 ) = ( 0.0000000 -0.6666667 -0.6666667 ) q( 21 ) = ( -0.6666667 0.0000000 0.6666667 ) 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 ) = ( 0.6666667 0.0000000 -0.6666667 ) q( 26 ) = ( 0.0000000 0.6666667 0.6666667 ) q( 27 ) = ( 0.0000000 0.6666667 -0.6666667 ) Writing epmatq on .epb files 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: 108 Fermi energy coarse grid = 9.635407 eV Fermi energy is calculated from the fine k-mesh: Ef = 9.805480 eV =================================================================== ibndmin = 1 ebndmin = -0.336 ibndmax = 4 ebndmax = 0.691 Number of ep-matrix elements per pool : 5184 ~= 40.50 Kb (@ 8 bytes/ DP) =================================================================== Phonon (Imaginary) Self-Energy in the Migdal Approximation =================================================================== Fermi Surface thickness = 15.000000 eV Golden Rule strictly enforced with T = 0.172347 eV Gaussian Broadening: 1.000000 eV, ngauss= 1 DOS = 0.046846 states/spin/eV/Unit Cell at Ef= 9.805480 eV ismear = 1 iq = 1 coord.: 0.00000 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 0.0001 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 0.0002 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.0002 meV lambda( 4 )= 0.006035 gamma= 0.007898 meV omega= 94.2971 meV lambda( 5 )= 0.006035 gamma= 0.007898 meV omega= 94.2971 meV lambda( 6 )= 0.006035 gamma= 0.007898 meV omega= 94.2971 meV lambda( tot )= 0.018106 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 =================================================================== Electron (Imaginary) Self-Energy in the Migdal Approximation =================================================================== Fermi Surface thickness = 15.000000 eV Golden Rule strictly enforced with T = 0.172347 eV Gaussian Broadening: 1.000000 eV, ngauss= 1 DOS = 0.046846 states/spin/eV/Unit Cell at Ef= 9.805480 eV ismear = 1 iq = 2 coord.: 0.00000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.048009 gamma= -0.001843 meV omega= 16.1525 meV lambda( 2 )= -0.030188 gamma= -0.001371 meV omega= 17.5653 meV lambda( 3 )= 0.037737 gamma= 0.006061 meV omega= 33.0342 meV lambda( 4 )= 0.036004 gamma= 0.047011 meV omega= 94.1917 meV lambda( 5 )= 0.037788 gamma= 0.049577 meV omega= 94.4169 meV lambda( 6 )= 0.054485 gamma= 0.081620 meV omega= 100.8906 meV lambda( tot )= 0.087817 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 3 coord.: 0.00000 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 2 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 3 )= 0.067493 gamma= 0.038042 meV omega= 61.8857 meV lambda( 4 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 5 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 6 )= 0.053435 gamma= 0.091180 meV omega= 107.6780 meV lambda( tot )= 0.216017 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 4 coord.: 0.00000 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006138 gamma= 0.000957 meV omega= 32.5419 meV lambda( 2 )= 0.005947 gamma= 0.000979 meV omega= 33.4447 meV lambda( 3 )= 0.058235 gamma= 0.049184 meV omega= 75.7547 meV lambda( 4 )= 0.030533 gamma= 0.037441 meV omega= 91.2799 meV lambda( 5 )= 0.030461 gamma= 0.037618 meV omega= 91.6045 meV lambda( 6 )= 0.019282 gamma= 0.032554 meV omega= 107.1062 meV lambda( tot )= 0.150596 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 5 coord.: 0.00000 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 2 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 3 )= 0.067493 gamma= 0.038042 meV omega= 61.8857 meV lambda( 4 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 5 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 6 )= 0.053435 gamma= 0.091180 meV omega= 107.6780 meV lambda( tot )= 0.216017 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 6 coord.: 0.00000 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.048003 gamma= -0.001843 meV omega= 16.1525 meV lambda( 2 )= -0.030180 gamma= -0.001370 meV omega= 17.5653 meV lambda( 3 )= 0.037733 gamma= 0.006060 meV omega= 33.0342 meV lambda( 4 )= 0.036003 gamma= 0.047010 meV omega= 94.1917 meV lambda( 5 )= 0.037788 gamma= 0.049576 meV omega= 94.4169 meV lambda( 6 )= 0.054485 gamma= 0.081620 meV omega= 100.8906 meV lambda( tot )= 0.087826 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 7 coord.: 0.00000 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.016062 gamma= -0.000399 meV omega= 12.9997 meV lambda( 2 )= -0.016061 gamma= -0.000399 meV omega= 12.9997 meV lambda( 3 )= -0.122670 gamma= -0.019174 meV omega= 32.5895 meV lambda( 4 )= 0.047821 gamma= 0.063423 meV omega= 94.9296 meV lambda( 5 )= 0.047821 gamma= 0.063423 meV omega= 94.9296 meV lambda( 6 )= 0.067261 gamma= 0.100998 meV omega= 101.0096 meV lambda( tot )= 0.008111 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 8 coord.: 0.00000 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.018139 gamma= 0.001195 meV omega= 21.1579 meV lambda( 2 )= -0.017423 gamma= -0.001341 meV omega= 22.8690 meV lambda( 3 )= 0.018753 gamma= 0.003227 meV omega= 34.1948 meV lambda( 4 )= 0.044449 gamma= 0.058578 meV omega= 94.6291 meV lambda( 5 )= 0.046848 gamma= 0.062307 meV omega= 95.0632 meV lambda( 6 )= 0.082428 gamma= 0.125644 meV omega= 101.7712 meV lambda( tot )= 0.193193 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 9 coord.: 0.00000 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.001931 gamma= -0.000298 meV omega= 32.3972 meV lambda( 2 )= 0.009664 gamma= 0.001512 meV omega= 32.6006 meV lambda( 3 )= 0.037201 gamma= 0.017191 meV omega= 56.0346 meV lambda( 4 )= 0.023989 gamma= 0.030817 meV omega= 93.4282 meV lambda( 5 )= 0.025493 gamma= 0.034193 meV omega= 95.4660 meV lambda( 6 )= 0.026538 gamma= 0.043291 meV omega= 105.2815 meV lambda( tot )= 0.120955 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 10 coord.: 0.00000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.002778 gamma= 0.000558 meV omega= 36.9315 meV lambda( 2 )= 0.007632 gamma= 0.002018 meV omega= 42.3892 meV lambda( 3 )= 0.025104 gamma= 0.018376 meV omega= 70.5248 meV lambda( 4 )= 0.014041 gamma= 0.017276 meV omega= 91.4337 meV lambda( 5 )= 0.018358 gamma= 0.023371 meV omega= 93.0070 meV lambda( 6 )= 0.007965 gamma= 0.012979 meV omega= 105.2270 meV lambda( tot )= 0.075878 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 11 coord.: 0.00000 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.019504 gamma= 0.003292 meV omega= 33.8650 meV lambda( 2 )= 0.008241 gamma= 0.002263 meV omega= 43.2002 meV lambda( 3 )= 0.026139 gamma= 0.017295 meV omega= 67.0515 meV lambda( 4 )= 0.028451 gamma= 0.035595 meV omega= 92.1998 meV lambda( 5 )= 0.016774 gamma= 0.021512 meV omega= 93.3504 meV lambda( 6 )= 0.017447 gamma= 0.028309 meV omega= 105.0007 meV lambda( tot )= 0.116556 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 12 coord.: 0.00000 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053616 gamma= 0.004459 meV omega= 23.7710 meV lambda( 2 )= 0.000431 gamma= 0.000066 meV omega= 32.3606 meV lambda( 3 )= 0.000772 gamma= 0.000265 meV omega= 48.3490 meV lambda( 4 )= 0.031641 gamma= 0.041193 meV omega= 94.0538 meV lambda( 5 )= 0.029447 gamma= 0.039652 meV omega= 95.6542 meV lambda( 6 )= 0.026926 gamma= 0.043203 meV omega= 104.4133 meV lambda( tot )= 0.142832 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 13 coord.: 0.00000 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 2 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 3 )= 0.067493 gamma= 0.038042 meV omega= 61.8857 meV lambda( 4 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 5 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 6 )= 0.053435 gamma= 0.091180 meV omega= 107.6780 meV lambda( tot )= 0.216017 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 14 coord.: 0.00000 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.004355 gamma= 0.000699 meV omega= 33.0338 meV lambda( 2 )= 0.003305 gamma= 0.000547 meV omega= 33.5473 meV lambda( 3 )= 0.030142 gamma= 0.013436 meV omega= 55.0358 meV lambda( 4 )= 0.023171 gamma= 0.029670 meV omega= 93.2759 meV lambda( 5 )= 0.025554 gamma= 0.033645 meV omega= 94.5850 meV lambda( 6 )= 0.030675 gamma= 0.050953 meV omega= 106.2389 meV lambda( tot )= 0.117201 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 15 coord.: 0.00000 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000852 gamma= 0.000203 meV omega= 40.2848 meV lambda( 2 )= 0.000852 gamma= 0.000203 meV omega= 40.2848 meV lambda( 3 )= 0.014537 gamma= 0.008317 meV omega= 62.3479 meV lambda( 4 )= 0.004624 gamma= 0.005806 meV omega= 92.3648 meV lambda( 5 )= 0.004624 gamma= 0.005806 meV omega= 92.3648 meV lambda( 6 )= 0.017197 gamma= 0.029404 meV omega= 107.7870 meV lambda( tot )= 0.042686 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 16 coord.: 0.00000 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000278 gamma= 0.000077 meV omega= 43.4094 meV lambda( 2 )= 0.002194 gamma= 0.000758 meV omega= 48.4535 meV lambda( 3 )= 0.010981 gamma= 0.007950 meV omega= 70.1383 meV lambda( 4 )= 0.000798 gamma= 0.000966 meV omega= 90.7189 meV lambda( 5 )= 0.002636 gamma= 0.003300 meV omega= 92.2331 meV lambda( 6 )= 0.005093 gamma= 0.008197 meV omega= 104.5756 meV lambda( tot )= 0.021979 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 17 coord.: 0.00000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000768 gamma= 0.000197 meV omega= 41.7010 meV lambda( 2 )= 0.001384 gamma= 0.000663 meV omega= 57.0532 meV lambda( 3 )= 0.013588 gamma= 0.008618 meV omega= 65.6468 meV lambda( 4 )= 0.004548 gamma= 0.005489 meV omega= 90.5575 meV lambda( 5 )= 0.000815 gamma= 0.001006 meV omega= 91.5829 meV lambda( 6 )= 0.006970 gamma= 0.010979 meV omega= 103.4576 meV lambda( tot )= 0.028073 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 18 coord.: 0.00000 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.007297 gamma= 0.001301 meV omega= 34.8075 meV lambda( 2 )= 0.003522 gamma= 0.000939 meV omega= 42.5756 meV lambda( 3 )= 0.030622 gamma= 0.019985 meV omega= 66.5934 meV lambda( 4 )= 0.023692 gamma= 0.029415 meV omega= 91.8482 meV lambda( 5 )= 0.014727 gamma= 0.018991 meV omega= 93.6083 meV lambda( 6 )= 0.013222 gamma= 0.021584 meV omega= 105.3172 meV lambda( tot )= 0.093081 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 19 coord.: 0.00000 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.008543 gamma= -0.001249 meV omega= 31.5177 meV lambda( 2 )= -0.008543 gamma= -0.001249 meV omega= 31.5177 meV lambda( 3 )= 0.072366 gamma= 0.062730 meV omega= 76.7466 meV lambda( 4 )= 0.045197 gamma= 0.056254 meV omega= 91.9619 meV lambda( 5 )= 0.045197 gamma= 0.056254 meV omega= 91.9619 meV lambda( 6 )= 0.000402 gamma= 0.000669 meV omega= 106.3987 meV lambda( tot )= 0.146076 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 20 coord.: 0.00000 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.001292 gamma= -0.000247 meV omega= 36.0771 meV lambda( 2 )= 0.006630 gamma= 0.001725 meV omega= 42.0491 meV lambda( 3 )= 0.027323 gamma= 0.020375 meV omega= 71.1824 meV lambda( 4 )= 0.016600 gamma= 0.020576 meV omega= 91.7741 meV lambda( 5 )= 0.020361 gamma= 0.025963 meV omega= 93.0804 meV lambda( 6 )= 0.005049 gamma= 0.008169 meV omega= 104.8551 meV lambda( tot )= 0.074672 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 21 coord.: 0.00000 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.000142 gamma= -0.000037 meV omega= 41.8048 meV lambda( 2 )= 0.001252 gamma= 0.000439 meV omega= 48.8021 meV lambda( 3 )= 0.011212 gamma= 0.008205 meV omega= 70.5159 meV lambda( 4 )= 0.000871 gamma= 0.001072 meV omega= 91.4694 meV lambda( 5 )= 0.003652 gamma= 0.004587 meV omega= 92.3808 meV lambda( 6 )= 0.004441 gamma= 0.007073 meV omega= 104.0277 meV lambda( tot )= 0.021286 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 22 coord.: 0.00000 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.000007 gamma= -0.000002 meV omega= 43.4255 meV lambda( 2 )= -0.000002 gamma= -0.000000 meV omega= 45.6990 meV lambda( 3 )= 0.004056 gamma= 0.003554 meV omega= 77.1674 meV lambda( 4 )= 0.000198 gamma= 0.000238 meV omega= 90.2556 meV lambda( 5 )= 0.000174 gamma= 0.000214 meV omega= 91.3514 meV lambda( 6 )= 0.000807 gamma= 0.001295 meV omega= 104.4261 meV lambda( tot )= 0.005226 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 23 coord.: 0.00000 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.000142 gamma= -0.000037 meV omega= 41.8048 meV lambda( 2 )= 0.001253 gamma= 0.000439 meV omega= 48.8021 meV lambda( 3 )= 0.011214 gamma= 0.008206 meV omega= 70.5159 meV lambda( 4 )= 0.000871 gamma= 0.001072 meV omega= 91.4694 meV lambda( 5 )= 0.003653 gamma= 0.004588 meV omega= 92.3808 meV lambda( 6 )= 0.004438 gamma= 0.007068 meV omega= 104.0277 meV lambda( tot )= 0.021286 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 24 coord.: 0.00000 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.001291 gamma= -0.000247 meV omega= 36.0771 meV lambda( 2 )= 0.006632 gamma= 0.001726 meV omega= 42.0491 meV lambda( 3 )= 0.027324 gamma= 0.020376 meV omega= 71.1824 meV lambda( 4 )= 0.016601 gamma= 0.020578 meV omega= 91.7741 meV lambda( 5 )= 0.020359 gamma= 0.025959 meV omega= 93.0804 meV lambda( 6 )= 0.005044 gamma= 0.008162 meV omega= 104.8551 meV lambda( tot )= 0.074670 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 25 coord.: 0.00000 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 2 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 3 )= 0.067493 gamma= 0.038042 meV omega= 61.8857 meV lambda( 4 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 5 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 6 )= 0.053435 gamma= 0.091180 meV omega= 107.6780 meV lambda( tot )= 0.216017 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 26 coord.: 0.00000 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.007299 gamma= 0.001301 meV omega= 34.8075 meV lambda( 2 )= 0.003511 gamma= 0.000937 meV omega= 42.5756 meV lambda( 3 )= 0.030632 gamma= 0.019992 meV omega= 66.5934 meV lambda( 4 )= 0.023691 gamma= 0.029413 meV omega= 91.8482 meV lambda( 5 )= 0.014731 gamma= 0.018997 meV omega= 93.6083 meV lambda( 6 )= 0.013219 gamma= 0.021579 meV omega= 105.3172 meV lambda( tot )= 0.093083 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 27 coord.: 0.00000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000768 gamma= 0.000197 meV omega= 41.7010 meV lambda( 2 )= 0.001384 gamma= 0.000663 meV omega= 57.0532 meV lambda( 3 )= 0.013588 gamma= 0.008618 meV omega= 65.6468 meV lambda( 4 )= 0.004548 gamma= 0.005489 meV omega= 90.5575 meV lambda( 5 )= 0.000815 gamma= 0.001006 meV omega= 91.5829 meV lambda( 6 )= 0.006970 gamma= 0.010979 meV omega= 103.4576 meV lambda( tot )= 0.028073 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 28 coord.: 0.00000 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000277 gamma= 0.000077 meV omega= 43.4094 meV lambda( 2 )= 0.002194 gamma= 0.000758 meV omega= 48.4535 meV lambda( 3 )= 0.010983 gamma= 0.007952 meV omega= 70.1383 meV lambda( 4 )= 0.000798 gamma= 0.000966 meV omega= 90.7189 meV lambda( 5 )= 0.002637 gamma= 0.003301 meV omega= 92.2331 meV lambda( 6 )= 0.005091 gamma= 0.008193 meV omega= 104.5756 meV lambda( tot )= 0.021980 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 29 coord.: 0.00000 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000852 gamma= 0.000203 meV omega= 40.2848 meV lambda( 2 )= 0.000852 gamma= 0.000203 meV omega= 40.2848 meV lambda( 3 )= 0.014537 gamma= 0.008317 meV omega= 62.3479 meV lambda( 4 )= 0.004624 gamma= 0.005806 meV omega= 92.3648 meV lambda( 5 )= 0.004624 gamma= 0.005806 meV omega= 92.3648 meV lambda( 6 )= 0.017197 gamma= 0.029404 meV omega= 107.7870 meV lambda( tot )= 0.042686 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 30 coord.: 0.00000 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.004352 gamma= 0.000699 meV omega= 33.0338 meV lambda( 2 )= 0.003307 gamma= 0.000548 meV omega= 33.5473 meV lambda( 3 )= 0.030140 gamma= 0.013436 meV omega= 55.0358 meV lambda( 4 )= 0.023172 gamma= 0.029670 meV omega= 93.2759 meV lambda( 5 )= 0.025553 gamma= 0.033645 meV omega= 94.5850 meV lambda( 6 )= 0.030671 gamma= 0.050947 meV omega= 106.2389 meV lambda( tot )= 0.117196 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 31 coord.: 0.00000 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.015884 gamma= -0.000395 meV omega= 12.9997 meV lambda( 2 )= -0.015884 gamma= -0.000395 meV omega= 12.9997 meV lambda( 3 )= -0.122665 gamma= -0.019173 meV omega= 32.5895 meV lambda( 4 )= 0.047825 gamma= 0.063428 meV omega= 94.9296 meV lambda( 5 )= 0.047825 gamma= 0.063428 meV omega= 94.9296 meV lambda( 6 )= 0.067263 gamma= 0.101000 meV omega= 101.0096 meV lambda( tot )= 0.008480 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 32 coord.: 0.00000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053631 gamma= 0.004460 meV omega= 23.7710 meV lambda( 2 )= 0.000422 gamma= 0.000065 meV omega= 32.3606 meV lambda( 3 )= 0.000771 gamma= 0.000265 meV omega= 48.3490 meV lambda( 4 )= 0.031640 gamma= 0.041192 meV omega= 94.0538 meV lambda( 5 )= 0.029446 gamma= 0.039651 meV omega= 95.6542 meV lambda( 6 )= 0.026927 gamma= 0.043203 meV omega= 104.4133 meV lambda( tot )= 0.142836 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 33 coord.: 0.00000 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.019503 gamma= 0.003292 meV omega= 33.8650 meV lambda( 2 )= 0.008250 gamma= 0.002266 meV omega= 43.2002 meV lambda( 3 )= 0.026129 gamma= 0.017289 meV omega= 67.0515 meV lambda( 4 )= 0.028450 gamma= 0.035593 meV omega= 92.1998 meV lambda( 5 )= 0.016770 gamma= 0.021507 meV omega= 93.3504 meV lambda( 6 )= 0.017447 gamma= 0.028309 meV omega= 105.0007 meV lambda( tot )= 0.116549 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 34 coord.: 0.00000 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.002777 gamma= 0.000557 meV omega= 36.9315 meV lambda( 2 )= 0.007635 gamma= 0.002019 meV omega= 42.3892 meV lambda( 3 )= 0.025106 gamma= 0.018377 meV omega= 70.5248 meV lambda( 4 )= 0.014043 gamma= 0.017278 meV omega= 91.4337 meV lambda( 5 )= 0.018357 gamma= 0.023369 meV omega= 93.0070 meV lambda( 6 )= 0.007960 gamma= 0.012972 meV omega= 105.2270 meV lambda( tot )= 0.075878 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 35 coord.: 0.00000 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.001936 gamma= -0.000299 meV omega= 32.3972 meV lambda( 2 )= 0.009663 gamma= 0.001511 meV omega= 32.6006 meV lambda( 3 )= 0.037198 gamma= 0.017189 meV omega= 56.0346 meV lambda( 4 )= 0.023991 gamma= 0.030819 meV omega= 93.4282 meV lambda( 5 )= 0.025495 gamma= 0.034196 meV omega= 95.4660 meV lambda( 6 )= 0.026537 gamma= 0.043288 meV omega= 105.2815 meV lambda( tot )= 0.120948 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 36 coord.: 0.00000 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.018142 gamma= 0.001195 meV omega= 21.1579 meV lambda( 2 )= -0.017440 gamma= -0.001342 meV omega= 22.8690 meV lambda( 3 )= 0.018762 gamma= 0.003229 meV omega= 34.1948 meV lambda( 4 )= 0.044450 gamma= 0.058579 meV omega= 94.6291 meV lambda( 5 )= 0.046851 gamma= 0.062311 meV omega= 95.0632 meV lambda( 6 )= 0.082429 gamma= 0.125647 meV omega= 101.7712 meV lambda( tot )= 0.193194 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 37 coord.: 0.16667 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.048009 gamma= -0.001843 meV omega= 16.1525 meV lambda( 2 )= -0.030188 gamma= -0.001371 meV omega= 17.5653 meV lambda( 3 )= 0.037737 gamma= 0.006061 meV omega= 33.0342 meV lambda( 4 )= 0.036004 gamma= 0.047011 meV omega= 94.1917 meV lambda( 5 )= 0.037788 gamma= 0.049577 meV omega= 94.4169 meV lambda( 6 )= 0.054485 gamma= 0.081620 meV omega= 100.8906 meV lambda( tot )= 0.087817 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 38 coord.: 0.16667 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.018142 gamma= 0.001195 meV omega= 21.1579 meV lambda( 2 )= -0.017440 gamma= -0.001342 meV omega= 22.8690 meV lambda( 3 )= 0.018762 gamma= 0.003229 meV omega= 34.1948 meV lambda( 4 )= 0.044450 gamma= 0.058579 meV omega= 94.6291 meV lambda( 5 )= 0.046851 gamma= 0.062311 meV omega= 95.0632 meV lambda( 6 )= 0.082429 gamma= 0.125647 meV omega= 101.7712 meV lambda( tot )= 0.193194 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 39 coord.: 0.16667 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003349 gamma= 0.000530 meV omega= 32.7964 meV lambda( 2 )= 0.008367 gamma= 0.001450 meV omega= 34.3110 meV lambda( 3 )= 0.028472 gamma= 0.012633 meV omega= 54.9089 meV lambda( 4 )= 0.023111 gamma= 0.029594 meV omega= 93.2784 meV lambda( 5 )= 0.026061 gamma= 0.034257 meV omega= 94.5085 meV lambda( 6 )= 0.031481 gamma= 0.052254 meV omega= 106.2001 meV lambda( tot )= 0.120840 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 40 coord.: 0.16667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.001424 gamma= 0.000292 meV omega= 37.3447 meV lambda( 2 )= 0.011943 gamma= 0.003174 meV omega= 42.4960 meV lambda( 3 )= 0.023874 gamma= 0.017699 meV omega= 70.9745 meV lambda( 4 )= 0.013205 gamma= 0.016177 meV omega= 91.2372 meV lambda( 5 )= 0.017595 gamma= 0.022304 meV omega= 92.8077 meV lambda( 6 )= 0.009500 gamma= 0.015439 meV omega= 105.0821 meV lambda( tot )= 0.077541 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 41 coord.: 0.16667 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006748 gamma= 0.001170 meV omega= 34.3301 meV lambda( 2 )= 0.006674 gamma= 0.001804 meV omega= 42.8555 meV lambda( 3 )= 0.029685 gamma= 0.019079 meV omega= 66.0846 meV lambda( 4 )= 0.022339 gamma= 0.027833 meV omega= 92.0109 meV lambda( 5 )= 0.012992 gamma= 0.016779 meV omega= 93.6774 meV lambda( 6 )= 0.014067 gamma= 0.023033 meV omega= 105.4773 meV lambda( tot )= 0.092505 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 42 coord.: 0.16667 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000718 gamma= 0.000062 meV omega= 24.1984 meV lambda( 2 )= 0.012982 gamma= 0.002058 meV omega= 32.8193 meV lambda( 3 )= 0.025745 gamma= 0.008983 meV omega= 48.6902 meV lambda( 4 )= 0.028046 gamma= 0.036290 meV omega= 93.7668 meV lambda( 5 )= 0.022330 gamma= 0.030304 meV omega= 96.0269 meV lambda( 6 )= 0.022804 gamma= 0.036249 meV omega= 103.9283 meV lambda( tot )= 0.112625 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 43 coord.: 0.16667 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.018139 gamma= 0.001195 meV omega= 21.1579 meV lambda( 2 )= -0.017423 gamma= -0.001341 meV omega= 22.8690 meV lambda( 3 )= 0.018753 gamma= 0.003227 meV omega= 34.1948 meV lambda( 4 )= 0.044449 gamma= 0.058578 meV omega= 94.6291 meV lambda( 5 )= 0.046848 gamma= 0.062307 meV omega= 95.0632 meV lambda( 6 )= 0.082428 gamma= 0.125644 meV omega= 101.7712 meV lambda( tot )= 0.193193 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 44 coord.: 0.16667 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.048003 gamma= -0.001843 meV omega= 16.1525 meV lambda( 2 )= -0.030180 gamma= -0.001370 meV omega= 17.5653 meV lambda( 3 )= 0.037733 gamma= 0.006060 meV omega= 33.0342 meV lambda( 4 )= 0.036003 gamma= 0.047010 meV omega= 94.1917 meV lambda( 5 )= 0.037788 gamma= 0.049576 meV omega= 94.4169 meV lambda( 6 )= 0.054485 gamma= 0.081620 meV omega= 100.8906 meV lambda( tot )= 0.087826 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 45 coord.: 0.16667 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000718 gamma= 0.000062 meV omega= 24.1984 meV lambda( 2 )= 0.012982 gamma= 0.002058 meV omega= 32.8193 meV lambda( 3 )= 0.025745 gamma= 0.008983 meV omega= 48.6902 meV lambda( 4 )= 0.028046 gamma= 0.036290 meV omega= 93.7668 meV lambda( 5 )= 0.022330 gamma= 0.030304 meV omega= 96.0269 meV lambda( 6 )= 0.022804 gamma= 0.036249 meV omega= 103.9283 meV lambda( tot )= 0.112625 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 46 coord.: 0.16667 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006747 gamma= 0.001170 meV omega= 34.3301 meV lambda( 2 )= 0.006684 gamma= 0.001807 meV omega= 42.8555 meV lambda( 3 )= 0.029675 gamma= 0.019073 meV omega= 66.0846 meV lambda( 4 )= 0.022340 gamma= 0.027835 meV omega= 92.0109 meV lambda( 5 )= 0.012989 gamma= 0.016775 meV omega= 93.6774 meV lambda( 6 )= 0.014070 gamma= 0.023037 meV omega= 105.4773 meV lambda( tot )= 0.092506 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 47 coord.: 0.16667 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.001422 gamma= 0.000292 meV omega= 37.3447 meV lambda( 2 )= 0.011949 gamma= 0.003176 meV omega= 42.4960 meV lambda( 3 )= 0.023875 gamma= 0.017700 meV omega= 70.9745 meV lambda( 4 )= 0.013205 gamma= 0.016178 meV omega= 91.2372 meV lambda( 5 )= 0.017592 gamma= 0.022300 meV omega= 92.8077 meV lambda( 6 )= 0.009498 gamma= 0.015436 meV omega= 105.0821 meV lambda( tot )= 0.077542 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 48 coord.: 0.16667 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003348 gamma= 0.000530 meV omega= 32.7964 meV lambda( 2 )= 0.008369 gamma= 0.001450 meV omega= 34.3110 meV lambda( 3 )= 0.028471 gamma= 0.012633 meV omega= 54.9089 meV lambda( 4 )= 0.023111 gamma= 0.029594 meV omega= 93.2784 meV lambda( 5 )= 0.026060 gamma= 0.034256 meV omega= 94.5085 meV lambda( 6 )= 0.031477 gamma= 0.052248 meV omega= 106.2001 meV lambda( tot )= 0.120836 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 49 coord.: 0.16667 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.004355 gamma= 0.000699 meV omega= 33.0338 meV lambda( 2 )= 0.003305 gamma= 0.000547 meV omega= 33.5473 meV lambda( 3 )= 0.030142 gamma= 0.013436 meV omega= 55.0358 meV lambda( 4 )= 0.023171 gamma= 0.029670 meV omega= 93.2759 meV lambda( 5 )= 0.025554 gamma= 0.033645 meV omega= 94.5850 meV lambda( 6 )= 0.030675 gamma= 0.050953 meV omega= 106.2389 meV lambda( tot )= 0.117201 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 50 coord.: 0.16667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053616 gamma= 0.004459 meV omega= 23.7710 meV lambda( 2 )= 0.000431 gamma= 0.000066 meV omega= 32.3606 meV lambda( 3 )= 0.000772 gamma= 0.000265 meV omega= 48.3490 meV lambda( 4 )= 0.031641 gamma= 0.041193 meV omega= 94.0538 meV lambda( 5 )= 0.029447 gamma= 0.039652 meV omega= 95.6542 meV lambda( 6 )= 0.026926 gamma= 0.043203 meV omega= 104.4133 meV lambda( tot )= 0.142832 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 51 coord.: 0.16667 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003348 gamma= 0.000530 meV omega= 32.7964 meV lambda( 2 )= 0.008369 gamma= 0.001450 meV omega= 34.3110 meV lambda( 3 )= 0.028471 gamma= 0.012633 meV omega= 54.9089 meV lambda( 4 )= 0.023111 gamma= 0.029594 meV omega= 93.2784 meV lambda( 5 )= 0.026060 gamma= 0.034256 meV omega= 94.5085 meV lambda( 6 )= 0.031477 gamma= 0.052248 meV omega= 106.2001 meV lambda( tot )= 0.120836 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 52 coord.: 0.16667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003396 gamma= 0.000770 meV omega= 39.2444 meV lambda( 2 )= 0.004973 gamma= 0.001662 meV omega= 47.6558 meV lambda( 3 )= 0.017970 gamma= 0.010602 meV omega= 63.3144 meV lambda( 4 )= 0.017027 gamma= 0.021409 meV omega= 92.4290 meV lambda( 5 )= 0.007065 gamma= 0.009118 meV omega= 93.6448 meV lambda( 6 )= 0.010624 gamma= 0.017075 meV omega= 104.4999 meV lambda( tot )= 0.061056 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 53 coord.: 0.16667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000441 gamma= 0.000123 meV omega= 43.6205 meV lambda( 2 )= 0.003608 gamma= 0.001508 meV omega= 53.2984 meV lambda( 3 )= 0.010138 gamma= 0.006768 meV omega= 67.3513 meV lambda( 4 )= 0.005420 gamma= 0.006617 meV omega= 91.0787 meV lambda( 5 )= 0.004966 gamma= 0.006121 meV omega= 91.5191 meV lambda( 6 )= 0.004960 gamma= 0.007770 meV omega= 103.1716 meV lambda( tot )= 0.029532 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 54 coord.: 0.16667 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003047 gamma= 0.000713 meV omega= 39.8873 meV lambda( 2 )= 0.005161 gamma= 0.001691 meV omega= 47.1858 meV lambda( 3 )= 0.018111 gamma= 0.010793 meV omega= 63.6333 meV lambda( 4 )= 0.013910 gamma= 0.017341 meV omega= 92.0366 meV lambda( 5 )= 0.012924 gamma= 0.016729 meV omega= 93.7822 meV lambda( 6 )= 0.010007 gamma= 0.016083 meV omega= 104.4993 meV lambda( tot )= 0.063161 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 55 coord.: 0.16667 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.001292 gamma= -0.000247 meV omega= 36.0771 meV lambda( 2 )= 0.006630 gamma= 0.001725 meV omega= 42.0491 meV lambda( 3 )= 0.027323 gamma= 0.020375 meV omega= 71.1824 meV lambda( 4 )= 0.016600 gamma= 0.020576 meV omega= 91.7741 meV lambda( 5 )= 0.020361 gamma= 0.025963 meV omega= 93.0804 meV lambda( 6 )= 0.005049 gamma= 0.008169 meV omega= 104.8551 meV lambda( tot )= 0.074672 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 56 coord.: 0.16667 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.007297 gamma= 0.001301 meV omega= 34.8075 meV lambda( 2 )= 0.003522 gamma= 0.000939 meV omega= 42.5756 meV lambda( 3 )= 0.030622 gamma= 0.019985 meV omega= 66.5934 meV lambda( 4 )= 0.023692 gamma= 0.029415 meV omega= 91.8482 meV lambda( 5 )= 0.014727 gamma= 0.018991 meV omega= 93.6083 meV lambda( 6 )= 0.013222 gamma= 0.021584 meV omega= 105.3172 meV lambda( tot )= 0.093081 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 57 coord.: 0.16667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003047 gamma= 0.000713 meV omega= 39.8873 meV lambda( 2 )= 0.005161 gamma= 0.001691 meV omega= 47.1858 meV lambda( 3 )= 0.018111 gamma= 0.010793 meV omega= 63.6333 meV lambda( 4 )= 0.013910 gamma= 0.017341 meV omega= 92.0366 meV lambda( 5 )= 0.012924 gamma= 0.016729 meV omega= 93.7822 meV lambda( 6 )= 0.010007 gamma= 0.016083 meV omega= 104.4993 meV lambda( tot )= 0.063161 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 58 coord.: 0.16667 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000283 gamma= 0.000079 meV omega= 43.6173 meV lambda( 2 )= 0.001993 gamma= 0.000688 meV omega= 48.4213 meV lambda( 3 )= 0.011248 gamma= 0.008148 meV omega= 70.1582 meV lambda( 4 )= 0.000833 gamma= 0.001007 meV omega= 90.6145 meV lambda( 5 )= 0.002484 gamma= 0.003107 meV omega= 92.1896 meV lambda( 6 )= 0.005078 gamma= 0.008180 meV omega= 104.6195 meV lambda( tot )= 0.021920 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 59 coord.: 0.16667 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000073 gamma= 0.000024 meV omega= 47.4568 meV lambda( 2 )= 0.000283 gamma= 0.000109 meV omega= 51.1443 meV lambda( 3 )= 0.003732 gamma= 0.002716 meV omega= 70.3115 meV lambda( 4 )= 0.000392 gamma= 0.000469 meV omega= 90.0927 meV lambda( 5 )= 0.001119 gamma= 0.001387 meV omega= 91.7694 meV lambda( 6 )= 0.000990 gamma= 0.001536 meV omega= 102.7063 meV lambda( tot )= 0.006589 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 60 coord.: 0.16667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000469 gamma= 0.000128 meV omega= 43.0082 meV lambda( 2 )= 0.003432 gamma= 0.001424 meV omega= 53.1026 meV lambda( 3 )= 0.010324 gamma= 0.006875 meV omega= 67.2654 meV lambda( 4 )= 0.006150 gamma= 0.007542 meV omega= 91.2809 meV lambda( 5 )= 0.003760 gamma= 0.004678 meV omega= 91.9415 meV lambda( 6 )= 0.004967 gamma= 0.007760 meV omega= 103.0312 meV lambda( tot )= 0.029102 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 61 coord.: 0.16667 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.007299 gamma= 0.001301 meV omega= 34.8075 meV lambda( 2 )= 0.003511 gamma= 0.000937 meV omega= 42.5756 meV lambda( 3 )= 0.030632 gamma= 0.019992 meV omega= 66.5934 meV lambda( 4 )= 0.023691 gamma= 0.029413 meV omega= 91.8482 meV lambda( 5 )= 0.014731 gamma= 0.018997 meV omega= 93.6083 meV lambda( 6 )= 0.013219 gamma= 0.021579 meV omega= 105.3172 meV lambda( tot )= 0.093083 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 62 coord.: 0.16667 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.001291 gamma= -0.000247 meV omega= 36.0771 meV lambda( 2 )= 0.006632 gamma= 0.001726 meV omega= 42.0491 meV lambda( 3 )= 0.027324 gamma= 0.020376 meV omega= 71.1824 meV lambda( 4 )= 0.016601 gamma= 0.020578 meV omega= 91.7741 meV lambda( 5 )= 0.020359 gamma= 0.025959 meV omega= 93.0804 meV lambda( 6 )= 0.005044 gamma= 0.008162 meV omega= 104.8551 meV lambda( tot )= 0.074670 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 63 coord.: 0.16667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000469 gamma= 0.000128 meV omega= 43.0082 meV lambda( 2 )= 0.003432 gamma= 0.001424 meV omega= 53.1026 meV lambda( 3 )= 0.010324 gamma= 0.006875 meV omega= 67.2654 meV lambda( 4 )= 0.006150 gamma= 0.007542 meV omega= 91.2809 meV lambda( 5 )= 0.003760 gamma= 0.004678 meV omega= 91.9415 meV lambda( 6 )= 0.004967 gamma= 0.007760 meV omega= 103.0312 meV lambda( tot )= 0.029102 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 64 coord.: 0.16667 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000073 gamma= 0.000024 meV omega= 47.4568 meV lambda( 2 )= 0.000283 gamma= 0.000109 meV omega= 51.1443 meV lambda( 3 )= 0.003732 gamma= 0.002716 meV omega= 70.3115 meV lambda( 4 )= 0.000392 gamma= 0.000469 meV omega= 90.0927 meV lambda( 5 )= 0.001119 gamma= 0.001387 meV omega= 91.7694 meV lambda( 6 )= 0.000990 gamma= 0.001536 meV omega= 102.7063 meV lambda( tot )= 0.006589 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 65 coord.: 0.16667 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000283 gamma= 0.000079 meV omega= 43.6173 meV lambda( 2 )= 0.001992 gamma= 0.000687 meV omega= 48.4213 meV lambda( 3 )= 0.011246 gamma= 0.008147 meV omega= 70.1582 meV lambda( 4 )= 0.000833 gamma= 0.001007 meV omega= 90.6145 meV lambda( 5 )= 0.002484 gamma= 0.003106 meV omega= 92.1896 meV lambda( 6 )= 0.005081 gamma= 0.008185 meV omega= 104.6195 meV lambda( tot )= 0.021919 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 66 coord.: 0.16667 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003047 gamma= 0.000713 meV omega= 39.8873 meV lambda( 2 )= 0.005160 gamma= 0.001691 meV omega= 47.1858 meV lambda( 3 )= 0.018110 gamma= 0.010792 meV omega= 63.6333 meV lambda( 4 )= 0.013909 gamma= 0.017340 meV omega= 92.0366 meV lambda( 5 )= 0.012924 gamma= 0.016728 meV omega= 93.7822 meV lambda( 6 )= 0.010008 gamma= 0.016084 meV omega= 104.4993 meV lambda( tot )= 0.063158 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 67 coord.: 0.16667 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053630 gamma= 0.004460 meV omega= 23.7710 meV lambda( 2 )= 0.000422 gamma= 0.000065 meV omega= 32.3606 meV lambda( 3 )= 0.000771 gamma= 0.000265 meV omega= 48.3490 meV lambda( 4 )= 0.031640 gamma= 0.041192 meV omega= 94.0538 meV lambda( 5 )= 0.029446 gamma= 0.039651 meV omega= 95.6542 meV lambda( 6 )= 0.026927 gamma= 0.043203 meV omega= 104.4133 meV lambda( tot )= 0.142836 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 68 coord.: 0.16667 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.004352 gamma= 0.000699 meV omega= 33.0338 meV lambda( 2 )= 0.003307 gamma= 0.000548 meV omega= 33.5473 meV lambda( 3 )= 0.030140 gamma= 0.013436 meV omega= 55.0358 meV lambda( 4 )= 0.023172 gamma= 0.029670 meV omega= 93.2759 meV lambda( 5 )= 0.025553 gamma= 0.033644 meV omega= 94.5850 meV lambda( 6 )= 0.030671 gamma= 0.050947 meV omega= 106.2389 meV lambda( tot )= 0.117195 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 69 coord.: 0.16667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003047 gamma= 0.000713 meV omega= 39.8873 meV lambda( 2 )= 0.005160 gamma= 0.001691 meV omega= 47.1858 meV lambda( 3 )= 0.018110 gamma= 0.010792 meV omega= 63.6333 meV lambda( 4 )= 0.013909 gamma= 0.017340 meV omega= 92.0366 meV lambda( 5 )= 0.012924 gamma= 0.016728 meV omega= 93.7822 meV lambda( 6 )= 0.010008 gamma= 0.016084 meV omega= 104.4993 meV lambda( tot )= 0.063158 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 70 coord.: 0.16667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000441 gamma= 0.000123 meV omega= 43.6205 meV lambda( 2 )= 0.003608 gamma= 0.001508 meV omega= 53.2984 meV lambda( 3 )= 0.010138 gamma= 0.006768 meV omega= 67.3513 meV lambda( 4 )= 0.005420 gamma= 0.006617 meV omega= 91.0787 meV lambda( 5 )= 0.004966 gamma= 0.006121 meV omega= 91.5191 meV lambda( 6 )= 0.004961 gamma= 0.007771 meV omega= 103.1716 meV lambda( tot )= 0.029532 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 71 coord.: 0.16667 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003396 gamma= 0.000770 meV omega= 39.2444 meV lambda( 2 )= 0.004973 gamma= 0.001662 meV omega= 47.6558 meV lambda( 3 )= 0.017971 gamma= 0.010602 meV omega= 63.3144 meV lambda( 4 )= 0.017028 gamma= 0.021410 meV omega= 92.4290 meV lambda( 5 )= 0.007067 gamma= 0.009120 meV omega= 93.6448 meV lambda( 6 )= 0.010625 gamma= 0.017077 meV omega= 104.4999 meV lambda( tot )= 0.061060 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 72 coord.: 0.16667 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003349 gamma= 0.000530 meV omega= 32.7964 meV lambda( 2 )= 0.008367 gamma= 0.001450 meV omega= 34.3110 meV lambda( 3 )= 0.028472 gamma= 0.012633 meV omega= 54.9089 meV lambda( 4 )= 0.023111 gamma= 0.029594 meV omega= 93.2784 meV lambda( 5 )= 0.026061 gamma= 0.034257 meV omega= 94.5085 meV lambda( 6 )= 0.031481 gamma= 0.052254 meV omega= 106.2001 meV lambda( tot )= 0.120840 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 73 coord.: 0.33333 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 2 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 3 )= 0.067493 gamma= 0.038042 meV omega= 61.8857 meV lambda( 4 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 5 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 6 )= 0.053435 gamma= 0.091180 meV omega= 107.6780 meV lambda( tot )= 0.216017 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 74 coord.: 0.33333 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003349 gamma= 0.000530 meV omega= 32.7964 meV lambda( 2 )= 0.008367 gamma= 0.001450 meV omega= 34.3110 meV lambda( 3 )= 0.028472 gamma= 0.012633 meV omega= 54.9089 meV lambda( 4 )= 0.023111 gamma= 0.029594 meV omega= 93.2784 meV lambda( 5 )= 0.026061 gamma= 0.034257 meV omega= 94.5085 meV lambda( 6 )= 0.031481 gamma= 0.052254 meV omega= 106.2001 meV lambda( tot )= 0.120840 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 75 coord.: 0.33333 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000852 gamma= 0.000203 meV omega= 40.2848 meV lambda( 2 )= 0.000852 gamma= 0.000203 meV omega= 40.2848 meV lambda( 3 )= 0.014537 gamma= 0.008317 meV omega= 62.3479 meV lambda( 4 )= 0.004624 gamma= 0.005806 meV omega= 92.3648 meV lambda( 5 )= 0.004624 gamma= 0.005806 meV omega= 92.3648 meV lambda( 6 )= 0.017197 gamma= 0.029404 meV omega= 107.7870 meV lambda( tot )= 0.042686 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 76 coord.: 0.33333 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000283 gamma= 0.000079 meV omega= 43.6173 meV lambda( 2 )= 0.001992 gamma= 0.000687 meV omega= 48.4213 meV lambda( 3 )= 0.011246 gamma= 0.008147 meV omega= 70.1582 meV lambda( 4 )= 0.000833 gamma= 0.001007 meV omega= 90.6145 meV lambda( 5 )= 0.002484 gamma= 0.003106 meV omega= 92.1896 meV lambda( 6 )= 0.005081 gamma= 0.008185 meV omega= 104.6195 meV lambda( tot )= 0.021919 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 77 coord.: 0.33333 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000768 gamma= 0.000197 meV omega= 41.7010 meV lambda( 2 )= 0.001384 gamma= 0.000663 meV omega= 57.0532 meV lambda( 3 )= 0.013588 gamma= 0.008618 meV omega= 65.6468 meV lambda( 4 )= 0.004548 gamma= 0.005489 meV omega= 90.5575 meV lambda( 5 )= 0.000815 gamma= 0.001006 meV omega= 91.5829 meV lambda( 6 )= 0.006970 gamma= 0.010979 meV omega= 103.4576 meV lambda( tot )= 0.028073 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 78 coord.: 0.33333 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006747 gamma= 0.001170 meV omega= 34.3301 meV lambda( 2 )= 0.006684 gamma= 0.001807 meV omega= 42.8555 meV lambda( 3 )= 0.029675 gamma= 0.019073 meV omega= 66.0846 meV lambda( 4 )= 0.022340 gamma= 0.027835 meV omega= 92.0109 meV lambda( 5 )= 0.012989 gamma= 0.016775 meV omega= 93.6774 meV lambda( 6 )= 0.014070 gamma= 0.023037 meV omega= 105.4773 meV lambda( tot )= 0.092506 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 79 coord.: 0.33333 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.001931 gamma= -0.000298 meV omega= 32.3972 meV lambda( 2 )= 0.009664 gamma= 0.001512 meV omega= 32.6006 meV lambda( 3 )= 0.037201 gamma= 0.017191 meV omega= 56.0346 meV lambda( 4 )= 0.023989 gamma= 0.030817 meV omega= 93.4282 meV lambda( 5 )= 0.025493 gamma= 0.034193 meV omega= 95.4660 meV lambda( 6 )= 0.026538 gamma= 0.043291 meV omega= 105.2815 meV lambda( tot )= 0.120955 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 80 coord.: 0.33333 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000719 gamma= 0.000062 meV omega= 24.1984 meV lambda( 2 )= 0.012982 gamma= 0.002058 meV omega= 32.8193 meV lambda( 3 )= 0.025745 gamma= 0.008983 meV omega= 48.6902 meV lambda( 4 )= 0.028046 gamma= 0.036290 meV omega= 93.7668 meV lambda( 5 )= 0.022330 gamma= 0.030304 meV omega= 96.0269 meV lambda( 6 )= 0.022804 gamma= 0.036249 meV omega= 103.9283 meV lambda( tot )= 0.112625 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 81 coord.: 0.33333 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.001936 gamma= -0.000299 meV omega= 32.3972 meV lambda( 2 )= 0.009663 gamma= 0.001511 meV omega= 32.6006 meV lambda( 3 )= 0.037198 gamma= 0.017189 meV omega= 56.0346 meV lambda( 4 )= 0.023991 gamma= 0.030819 meV omega= 93.4282 meV lambda( 5 )= 0.025495 gamma= 0.034196 meV omega= 95.4660 meV lambda( 6 )= 0.026537 gamma= 0.043288 meV omega= 105.2815 meV lambda( tot )= 0.120948 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 82 coord.: 0.33333 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003396 gamma= 0.000770 meV omega= 39.2444 meV lambda( 2 )= 0.004973 gamma= 0.001662 meV omega= 47.6558 meV lambda( 3 )= 0.017971 gamma= 0.010602 meV omega= 63.3144 meV lambda( 4 )= 0.017028 gamma= 0.021410 meV omega= 92.4290 meV lambda( 5 )= 0.007067 gamma= 0.009120 meV omega= 93.6448 meV lambda( 6 )= 0.010625 gamma= 0.017077 meV omega= 104.4999 meV lambda( tot )= 0.061060 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 83 coord.: 0.33333 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000606 gamma= 0.000167 meV omega= 43.3152 meV lambda( 2 )= 0.004350 gamma= 0.001872 meV omega= 54.0722 meV lambda( 3 )= 0.010070 gamma= 0.006729 meV omega= 67.3791 meV lambda( 4 )= 0.005094 gamma= 0.006196 meV omega= 90.9059 meV lambda( 5 )= 0.004136 gamma= 0.005116 meV omega= 91.6849 meV lambda( 6 )= 0.005195 gamma= 0.008093 meV omega= 102.8842 meV lambda( tot )= 0.029451 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 84 coord.: 0.33333 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003396 gamma= 0.000770 meV omega= 39.2444 meV lambda( 2 )= 0.004973 gamma= 0.001662 meV omega= 47.6558 meV lambda( 3 )= 0.017970 gamma= 0.010602 meV omega= 63.3144 meV lambda( 4 )= 0.017027 gamma= 0.021409 meV omega= 92.4290 meV lambda( 5 )= 0.007065 gamma= 0.009118 meV omega= 93.6448 meV lambda( 6 )= 0.010624 gamma= 0.017075 meV omega= 104.4999 meV lambda( tot )= 0.061056 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 85 coord.: 0.33333 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000852 gamma= 0.000203 meV omega= 40.2848 meV lambda( 2 )= 0.000852 gamma= 0.000203 meV omega= 40.2848 meV lambda( 3 )= 0.014537 gamma= 0.008317 meV omega= 62.3479 meV lambda( 4 )= 0.004624 gamma= 0.005806 meV omega= 92.3648 meV lambda( 5 )= 0.004624 gamma= 0.005806 meV omega= 92.3648 meV lambda( 6 )= 0.017197 gamma= 0.029404 meV omega= 107.7870 meV lambda( tot )= 0.042686 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 86 coord.: 0.33333 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003348 gamma= 0.000530 meV omega= 32.7964 meV lambda( 2 )= 0.008369 gamma= 0.001450 meV omega= 34.3110 meV lambda( 3 )= 0.028471 gamma= 0.012633 meV omega= 54.9089 meV lambda( 4 )= 0.023111 gamma= 0.029594 meV omega= 93.2784 meV lambda( 5 )= 0.026060 gamma= 0.034256 meV omega= 94.5085 meV lambda( 6 )= 0.031477 gamma= 0.052248 meV omega= 106.2001 meV lambda( tot )= 0.120836 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 87 coord.: 0.33333 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 2 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 3 )= 0.067493 gamma= 0.038042 meV omega= 61.8857 meV lambda( 4 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 5 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 6 )= 0.053435 gamma= 0.091180 meV omega= 107.6780 meV lambda( tot )= 0.216017 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 88 coord.: 0.33333 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006748 gamma= 0.001170 meV omega= 34.3301 meV lambda( 2 )= 0.006674 gamma= 0.001804 meV omega= 42.8555 meV lambda( 3 )= 0.029685 gamma= 0.019079 meV omega= 66.0846 meV lambda( 4 )= 0.022339 gamma= 0.027833 meV omega= 92.0109 meV lambda( 5 )= 0.012992 gamma= 0.016779 meV omega= 93.6774 meV lambda( 6 )= 0.014067 gamma= 0.023033 meV omega= 105.4773 meV lambda( tot )= 0.092505 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 89 coord.: 0.33333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000768 gamma= 0.000197 meV omega= 41.7010 meV lambda( 2 )= 0.001384 gamma= 0.000663 meV omega= 57.0532 meV lambda( 3 )= 0.013588 gamma= 0.008618 meV omega= 65.6468 meV lambda( 4 )= 0.004548 gamma= 0.005489 meV omega= 90.5575 meV lambda( 5 )= 0.000815 gamma= 0.001006 meV omega= 91.5829 meV lambda( 6 )= 0.006970 gamma= 0.010979 meV omega= 103.4576 meV lambda( tot )= 0.028073 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 90 coord.: 0.33333 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000283 gamma= 0.000079 meV omega= 43.6173 meV lambda( 2 )= 0.001993 gamma= 0.000688 meV omega= 48.4213 meV lambda( 3 )= 0.011248 gamma= 0.008148 meV omega= 70.1582 meV lambda( 4 )= 0.000833 gamma= 0.001007 meV omega= 90.6145 meV lambda( 5 )= 0.002484 gamma= 0.003107 meV omega= 92.1896 meV lambda( 6 )= 0.005078 gamma= 0.008180 meV omega= 104.6195 meV lambda( tot )= 0.021920 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 91 coord.: 0.33333 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.000142 gamma= -0.000036 meV omega= 41.8048 meV lambda( 2 )= 0.001252 gamma= 0.000439 meV omega= 48.8021 meV lambda( 3 )= 0.011212 gamma= 0.008205 meV omega= 70.5159 meV lambda( 4 )= 0.000871 gamma= 0.001072 meV omega= 91.4694 meV lambda( 5 )= 0.003652 gamma= 0.004587 meV omega= 92.3808 meV lambda( 6 )= 0.004441 gamma= 0.007073 meV omega= 104.0277 meV lambda( tot )= 0.021286 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 92 coord.: 0.33333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003047 gamma= 0.000713 meV omega= 39.8873 meV lambda( 2 )= 0.005161 gamma= 0.001691 meV omega= 47.1858 meV lambda( 3 )= 0.018111 gamma= 0.010793 meV omega= 63.6333 meV lambda( 4 )= 0.013910 gamma= 0.017341 meV omega= 92.0366 meV lambda( 5 )= 0.012924 gamma= 0.016729 meV omega= 93.7822 meV lambda( 6 )= 0.010007 gamma= 0.016083 meV omega= 104.4993 meV lambda( tot )= 0.063161 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 93 coord.: 0.33333 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.019504 gamma= 0.003292 meV omega= 33.8650 meV lambda( 2 )= 0.008241 gamma= 0.002263 meV omega= 43.2002 meV lambda( 3 )= 0.026139 gamma= 0.017295 meV omega= 67.0515 meV lambda( 4 )= 0.028451 gamma= 0.035595 meV omega= 92.1998 meV lambda( 5 )= 0.016774 gamma= 0.021512 meV omega= 93.3504 meV lambda( 6 )= 0.017447 gamma= 0.028309 meV omega= 105.0007 meV lambda( tot )= 0.116556 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 94 coord.: 0.33333 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.001422 gamma= 0.000292 meV omega= 37.3447 meV lambda( 2 )= 0.011949 gamma= 0.003176 meV omega= 42.4960 meV lambda( 3 )= 0.023875 gamma= 0.017700 meV omega= 70.9745 meV lambda( 4 )= 0.013205 gamma= 0.016178 meV omega= 91.2372 meV lambda( 5 )= 0.017592 gamma= 0.022300 meV omega= 92.8077 meV lambda( 6 )= 0.009498 gamma= 0.015436 meV omega= 105.0821 meV lambda( tot )= 0.077541 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 95 coord.: 0.33333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000606 gamma= 0.000167 meV omega= 43.3152 meV lambda( 2 )= 0.004350 gamma= 0.001872 meV omega= 54.0722 meV lambda( 3 )= 0.010070 gamma= 0.006729 meV omega= 67.3791 meV lambda( 4 )= 0.005094 gamma= 0.006196 meV omega= 90.9059 meV lambda( 5 )= 0.004136 gamma= 0.005116 meV omega= 91.6849 meV lambda( 6 )= 0.005195 gamma= 0.008093 meV omega= 102.8842 meV lambda( tot )= 0.029451 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 96 coord.: 0.33333 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000073 gamma= 0.000024 meV omega= 47.4568 meV lambda( 2 )= 0.000283 gamma= 0.000109 meV omega= 51.1443 meV lambda( 3 )= 0.003732 gamma= 0.002716 meV omega= 70.3115 meV lambda( 4 )= 0.000392 gamma= 0.000469 meV omega= 90.0927 meV lambda( 5 )= 0.001119 gamma= 0.001387 meV omega= 91.7694 meV lambda( 6 )= 0.000990 gamma= 0.001536 meV omega= 102.7063 meV lambda( tot )= 0.006589 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 97 coord.: 0.33333 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000768 gamma= 0.000197 meV omega= 41.7010 meV lambda( 2 )= 0.001384 gamma= 0.000663 meV omega= 57.0532 meV lambda( 3 )= 0.013588 gamma= 0.008618 meV omega= 65.6468 meV lambda( 4 )= 0.004548 gamma= 0.005489 meV omega= 90.5575 meV lambda( 5 )= 0.000815 gamma= 0.001006 meV omega= 91.5829 meV lambda( 6 )= 0.006970 gamma= 0.010979 meV omega= 103.4576 meV lambda( tot )= 0.028073 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 98 coord.: 0.33333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000469 gamma= 0.000128 meV omega= 43.0082 meV lambda( 2 )= 0.003432 gamma= 0.001424 meV omega= 53.1026 meV lambda( 3 )= 0.010324 gamma= 0.006875 meV omega= 67.2654 meV lambda( 4 )= 0.006150 gamma= 0.007542 meV omega= 91.2809 meV lambda( 5 )= 0.003760 gamma= 0.004678 meV omega= 91.9415 meV lambda( 6 )= 0.004967 gamma= 0.007760 meV omega= 103.0312 meV lambda( tot )= 0.029102 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 99 coord.: 0.33333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000768 gamma= 0.000197 meV omega= 41.7010 meV lambda( 2 )= 0.001384 gamma= 0.000663 meV omega= 57.0532 meV lambda( 3 )= 0.013588 gamma= 0.008618 meV omega= 65.6468 meV lambda( 4 )= 0.004548 gamma= 0.005489 meV omega= 90.5575 meV lambda( 5 )= 0.000815 gamma= 0.001006 meV omega= 91.5829 meV lambda( 6 )= 0.006970 gamma= 0.010979 meV omega= 103.4576 meV lambda( tot )= 0.028073 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 100 coord.: 0.33333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000441 gamma= 0.000123 meV omega= 43.6205 meV lambda( 2 )= 0.003608 gamma= 0.001508 meV omega= 53.2984 meV lambda( 3 )= 0.010138 gamma= 0.006768 meV omega= 67.3513 meV lambda( 4 )= 0.005420 gamma= 0.006617 meV omega= 91.0787 meV lambda( 5 )= 0.004966 gamma= 0.006121 meV omega= 91.5191 meV lambda( 6 )= 0.004960 gamma= 0.007770 meV omega= 103.1716 meV lambda( tot )= 0.029532 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 101 coord.: 0.33333 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000768 gamma= 0.000197 meV omega= 41.7010 meV lambda( 2 )= 0.001384 gamma= 0.000663 meV omega= 57.0532 meV lambda( 3 )= 0.013588 gamma= 0.008618 meV omega= 65.6468 meV lambda( 4 )= 0.004548 gamma= 0.005489 meV omega= 90.5575 meV lambda( 5 )= 0.000815 gamma= 0.001006 meV omega= 91.5829 meV lambda( 6 )= 0.006970 gamma= 0.010979 meV omega= 103.4576 meV lambda( tot )= 0.028073 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 102 coord.: 0.33333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000441 gamma= 0.000123 meV omega= 43.6205 meV lambda( 2 )= 0.003608 gamma= 0.001508 meV omega= 53.2984 meV lambda( 3 )= 0.010138 gamma= 0.006768 meV omega= 67.3513 meV lambda( 4 )= 0.005420 gamma= 0.006617 meV omega= 91.0787 meV lambda( 5 )= 0.004966 gamma= 0.006121 meV omega= 91.5191 meV lambda( 6 )= 0.004961 gamma= 0.007771 meV omega= 103.1716 meV lambda( tot )= 0.029532 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 103 coord.: 0.33333 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.019503 gamma= 0.003292 meV omega= 33.8650 meV lambda( 2 )= 0.008250 gamma= 0.002266 meV omega= 43.2002 meV lambda( 3 )= 0.026129 gamma= 0.017289 meV omega= 67.0515 meV lambda( 4 )= 0.028450 gamma= 0.035593 meV omega= 92.1998 meV lambda( 5 )= 0.016770 gamma= 0.021507 meV omega= 93.3504 meV lambda( 6 )= 0.017447 gamma= 0.028309 meV omega= 105.0007 meV lambda( tot )= 0.116549 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 104 coord.: 0.33333 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003047 gamma= 0.000713 meV omega= 39.8873 meV lambda( 2 )= 0.005160 gamma= 0.001691 meV omega= 47.1858 meV lambda( 3 )= 0.018110 gamma= 0.010792 meV omega= 63.6333 meV lambda( 4 )= 0.013909 gamma= 0.017340 meV omega= 92.0366 meV lambda( 5 )= 0.012924 gamma= 0.016728 meV omega= 93.7822 meV lambda( 6 )= 0.010008 gamma= 0.016084 meV omega= 104.4993 meV lambda( tot )= 0.063158 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 105 coord.: 0.33333 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.000142 gamma= -0.000037 meV omega= 41.8048 meV lambda( 2 )= 0.001253 gamma= 0.000439 meV omega= 48.8021 meV lambda( 3 )= 0.011214 gamma= 0.008206 meV omega= 70.5159 meV lambda( 4 )= 0.000871 gamma= 0.001072 meV omega= 91.4694 meV lambda( 5 )= 0.003653 gamma= 0.004588 meV omega= 92.3808 meV lambda( 6 )= 0.004438 gamma= 0.007068 meV omega= 104.0277 meV lambda( tot )= 0.021286 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 106 coord.: 0.33333 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000073 gamma= 0.000024 meV omega= 47.4568 meV lambda( 2 )= 0.000283 gamma= 0.000109 meV omega= 51.1443 meV lambda( 3 )= 0.003732 gamma= 0.002716 meV omega= 70.3115 meV lambda( 4 )= 0.000392 gamma= 0.000469 meV omega= 90.0927 meV lambda( 5 )= 0.001119 gamma= 0.001387 meV omega= 91.7694 meV lambda( 6 )= 0.000990 gamma= 0.001536 meV omega= 102.7063 meV lambda( tot )= 0.006589 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 107 coord.: 0.33333 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000606 gamma= 0.000167 meV omega= 43.3152 meV lambda( 2 )= 0.004350 gamma= 0.001872 meV omega= 54.0722 meV lambda( 3 )= 0.010070 gamma= 0.006729 meV omega= 67.3791 meV lambda( 4 )= 0.005094 gamma= 0.006196 meV omega= 90.9059 meV lambda( 5 )= 0.004136 gamma= 0.005116 meV omega= 91.6849 meV lambda( 6 )= 0.005195 gamma= 0.008093 meV omega= 102.8842 meV lambda( tot )= 0.029451 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 108 coord.: 0.33333 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.001424 gamma= 0.000292 meV omega= 37.3447 meV lambda( 2 )= 0.011943 gamma= 0.003174 meV omega= 42.4960 meV lambda( 3 )= 0.023874 gamma= 0.017699 meV omega= 70.9745 meV lambda( 4 )= 0.013205 gamma= 0.016177 meV omega= 91.2372 meV lambda( 5 )= 0.017595 gamma= 0.022304 meV omega= 92.8077 meV lambda( 6 )= 0.009500 gamma= 0.015439 meV omega= 105.0821 meV lambda( tot )= 0.077541 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 109 coord.: 0.50000 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006138 gamma= 0.000957 meV omega= 32.5419 meV lambda( 2 )= 0.005947 gamma= 0.000979 meV omega= 33.4447 meV lambda( 3 )= 0.058235 gamma= 0.049184 meV omega= 75.7547 meV lambda( 4 )= 0.030533 gamma= 0.037441 meV omega= 91.2799 meV lambda( 5 )= 0.030461 gamma= 0.037618 meV omega= 91.6045 meV lambda( 6 )= 0.019282 gamma= 0.032554 meV omega= 107.1062 meV lambda( tot )= 0.150596 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 110 coord.: 0.50000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.001424 gamma= 0.000292 meV omega= 37.3447 meV lambda( 2 )= 0.011943 gamma= 0.003174 meV omega= 42.4960 meV lambda( 3 )= 0.023874 gamma= 0.017699 meV omega= 70.9745 meV lambda( 4 )= 0.013205 gamma= 0.016177 meV omega= 91.2372 meV lambda( 5 )= 0.017595 gamma= 0.022304 meV omega= 92.8077 meV lambda( 6 )= 0.009500 gamma= 0.015439 meV omega= 105.0821 meV lambda( tot )= 0.077541 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 111 coord.: 0.50000 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000283 gamma= 0.000079 meV omega= 43.6173 meV lambda( 2 )= 0.001992 gamma= 0.000687 meV omega= 48.4213 meV lambda( 3 )= 0.011246 gamma= 0.008147 meV omega= 70.1582 meV lambda( 4 )= 0.000833 gamma= 0.001007 meV omega= 90.6145 meV lambda( 5 )= 0.002484 gamma= 0.003106 meV omega= 92.1896 meV lambda( 6 )= 0.005081 gamma= 0.008185 meV omega= 104.6195 meV lambda( tot )= 0.021919 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 112 coord.: 0.50000 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.000007 gamma= -0.000002 meV omega= 43.4255 meV lambda( 2 )= -0.000002 gamma= -0.000000 meV omega= 45.6990 meV lambda( 3 )= 0.004056 gamma= 0.003554 meV omega= 77.1674 meV lambda( 4 )= 0.000198 gamma= 0.000238 meV omega= 90.2556 meV lambda( 5 )= 0.000174 gamma= 0.000214 meV omega= 91.3514 meV lambda( 6 )= 0.000807 gamma= 0.001295 meV omega= 104.4261 meV lambda( tot )= 0.005226 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 113 coord.: 0.50000 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000283 gamma= 0.000079 meV omega= 43.6173 meV lambda( 2 )= 0.001993 gamma= 0.000688 meV omega= 48.4213 meV lambda( 3 )= 0.011248 gamma= 0.008148 meV omega= 70.1582 meV lambda( 4 )= 0.000833 gamma= 0.001007 meV omega= 90.6145 meV lambda( 5 )= 0.002484 gamma= 0.003107 meV omega= 92.1896 meV lambda( 6 )= 0.005078 gamma= 0.008180 meV omega= 104.6195 meV lambda( tot )= 0.021920 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 114 coord.: 0.50000 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.001422 gamma= 0.000292 meV omega= 37.3447 meV lambda( 2 )= 0.011949 gamma= 0.003176 meV omega= 42.4960 meV lambda( 3 )= 0.023875 gamma= 0.017700 meV omega= 70.9745 meV lambda( 4 )= 0.013205 gamma= 0.016178 meV omega= 91.2372 meV lambda( 5 )= 0.017592 gamma= 0.022300 meV omega= 92.8077 meV lambda( 6 )= 0.009498 gamma= 0.015436 meV omega= 105.0821 meV lambda( tot )= 0.077542 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 115 coord.: 0.50000 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.002778 gamma= 0.000558 meV omega= 36.9315 meV lambda( 2 )= 0.007632 gamma= 0.002018 meV omega= 42.3892 meV lambda( 3 )= 0.025104 gamma= 0.018376 meV omega= 70.5248 meV lambda( 4 )= 0.014041 gamma= 0.017276 meV omega= 91.4337 meV lambda( 5 )= 0.018358 gamma= 0.023371 meV omega= 93.0070 meV lambda( 6 )= 0.007965 gamma= 0.012979 meV omega= 105.2270 meV lambda( tot )= 0.075878 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 116 coord.: 0.50000 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006747 gamma= 0.001170 meV omega= 34.3301 meV lambda( 2 )= 0.006684 gamma= 0.001807 meV omega= 42.8555 meV lambda( 3 )= 0.029675 gamma= 0.019073 meV omega= 66.0846 meV lambda( 4 )= 0.022340 gamma= 0.027835 meV omega= 92.0109 meV lambda( 5 )= 0.012989 gamma= 0.016775 meV omega= 93.6774 meV lambda( 6 )= 0.014070 gamma= 0.023037 meV omega= 105.4773 meV lambda( tot )= 0.092506 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 117 coord.: 0.50000 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003396 gamma= 0.000770 meV omega= 39.2444 meV lambda( 2 )= 0.004973 gamma= 0.001662 meV omega= 47.6558 meV lambda( 3 )= 0.017971 gamma= 0.010602 meV omega= 63.3144 meV lambda( 4 )= 0.017028 gamma= 0.021410 meV omega= 92.4290 meV lambda( 5 )= 0.007067 gamma= 0.009120 meV omega= 93.6448 meV lambda( 6 )= 0.010625 gamma= 0.017077 meV omega= 104.4999 meV lambda( tot )= 0.061060 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 118 coord.: 0.50000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000277 gamma= 0.000077 meV omega= 43.4094 meV lambda( 2 )= 0.002194 gamma= 0.000758 meV omega= 48.4535 meV lambda( 3 )= 0.010983 gamma= 0.007952 meV omega= 70.1383 meV lambda( 4 )= 0.000798 gamma= 0.000966 meV omega= 90.7189 meV lambda( 5 )= 0.002637 gamma= 0.003301 meV omega= 92.2331 meV lambda( 6 )= 0.005091 gamma= 0.008193 meV omega= 104.5756 meV lambda( tot )= 0.021980 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 119 coord.: 0.50000 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000073 gamma= 0.000024 meV omega= 47.4568 meV lambda( 2 )= 0.000283 gamma= 0.000109 meV omega= 51.1443 meV lambda( 3 )= 0.003732 gamma= 0.002716 meV omega= 70.3115 meV lambda( 4 )= 0.000392 gamma= 0.000469 meV omega= 90.0927 meV lambda( 5 )= 0.001119 gamma= 0.001387 meV omega= 91.7694 meV lambda( 6 )= 0.000990 gamma= 0.001536 meV omega= 102.7063 meV lambda( tot )= 0.006589 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 120 coord.: 0.50000 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000441 gamma= 0.000123 meV omega= 43.6205 meV lambda( 2 )= 0.003608 gamma= 0.001508 meV omega= 53.2984 meV lambda( 3 )= 0.010138 gamma= 0.006768 meV omega= 67.3513 meV lambda( 4 )= 0.005420 gamma= 0.006617 meV omega= 91.0787 meV lambda( 5 )= 0.004966 gamma= 0.006121 meV omega= 91.5191 meV lambda( 6 )= 0.004960 gamma= 0.007770 meV omega= 103.1716 meV lambda( tot )= 0.029532 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 121 coord.: 0.50000 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000278 gamma= 0.000077 meV omega= 43.4094 meV lambda( 2 )= 0.002194 gamma= 0.000758 meV omega= 48.4535 meV lambda( 3 )= 0.010981 gamma= 0.007950 meV omega= 70.1383 meV lambda( 4 )= 0.000798 gamma= 0.000966 meV omega= 90.7189 meV lambda( 5 )= 0.002636 gamma= 0.003300 meV omega= 92.2331 meV lambda( 6 )= 0.005093 gamma= 0.008197 meV omega= 104.5756 meV lambda( tot )= 0.021979 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 122 coord.: 0.50000 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003396 gamma= 0.000770 meV omega= 39.2444 meV lambda( 2 )= 0.004973 gamma= 0.001662 meV omega= 47.6558 meV lambda( 3 )= 0.017970 gamma= 0.010602 meV omega= 63.3144 meV lambda( 4 )= 0.017027 gamma= 0.021409 meV omega= 92.4290 meV lambda( 5 )= 0.007065 gamma= 0.009118 meV omega= 93.6448 meV lambda( 6 )= 0.010624 gamma= 0.017075 meV omega= 104.4999 meV lambda( tot )= 0.061056 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 123 coord.: 0.50000 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006748 gamma= 0.001170 meV omega= 34.3301 meV lambda( 2 )= 0.006674 gamma= 0.001804 meV omega= 42.8555 meV lambda( 3 )= 0.029685 gamma= 0.019079 meV omega= 66.0846 meV lambda( 4 )= 0.022339 gamma= 0.027833 meV omega= 92.0109 meV lambda( 5 )= 0.012992 gamma= 0.016779 meV omega= 93.6774 meV lambda( 6 )= 0.014067 gamma= 0.023033 meV omega= 105.4773 meV lambda( tot )= 0.092505 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 124 coord.: 0.50000 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.002777 gamma= 0.000557 meV omega= 36.9315 meV lambda( 2 )= 0.007635 gamma= 0.002019 meV omega= 42.3892 meV lambda( 3 )= 0.025106 gamma= 0.018377 meV omega= 70.5248 meV lambda( 4 )= 0.014043 gamma= 0.017278 meV omega= 91.4337 meV lambda( 5 )= 0.018357 gamma= 0.023369 meV omega= 93.0070 meV lambda( 6 )= 0.007960 gamma= 0.012972 meV omega= 105.2270 meV lambda( tot )= 0.075878 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 125 coord.: 0.50000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000441 gamma= 0.000123 meV omega= 43.6205 meV lambda( 2 )= 0.003608 gamma= 0.001508 meV omega= 53.2984 meV lambda( 3 )= 0.010138 gamma= 0.006768 meV omega= 67.3513 meV lambda( 4 )= 0.005420 gamma= 0.006617 meV omega= 91.0787 meV lambda( 5 )= 0.004966 gamma= 0.006121 meV omega= 91.5191 meV lambda( 6 )= 0.004961 gamma= 0.007771 meV omega= 103.1716 meV lambda( tot )= 0.029532 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 126 coord.: 0.50000 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000073 gamma= 0.000024 meV omega= 47.4568 meV lambda( 2 )= 0.000283 gamma= 0.000109 meV omega= 51.1443 meV lambda( 3 )= 0.003732 gamma= 0.002716 meV omega= 70.3115 meV lambda( 4 )= 0.000392 gamma= 0.000469 meV omega= 90.0927 meV lambda( 5 )= 0.001119 gamma= 0.001387 meV omega= 91.7694 meV lambda( 6 )= 0.000990 gamma= 0.001536 meV omega= 102.7063 meV lambda( tot )= 0.006589 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 127 coord.: 0.50000 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.000007 gamma= -0.000002 meV omega= 43.4255 meV lambda( 2 )= -0.000002 gamma= -0.000000 meV omega= 45.6990 meV lambda( 3 )= 0.004056 gamma= 0.003554 meV omega= 77.1674 meV lambda( 4 )= 0.000198 gamma= 0.000238 meV omega= 90.2556 meV lambda( 5 )= 0.000174 gamma= 0.000214 meV omega= 91.3514 meV lambda( 6 )= 0.000807 gamma= 0.001295 meV omega= 104.4261 meV lambda( tot )= 0.005226 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 128 coord.: 0.50000 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000283 gamma= 0.000079 meV omega= 43.6173 meV lambda( 2 )= 0.001993 gamma= 0.000688 meV omega= 48.4213 meV lambda( 3 )= 0.011248 gamma= 0.008148 meV omega= 70.1582 meV lambda( 4 )= 0.000833 gamma= 0.001007 meV omega= 90.6145 meV lambda( 5 )= 0.002484 gamma= 0.003107 meV omega= 92.1896 meV lambda( 6 )= 0.005078 gamma= 0.008180 meV omega= 104.6195 meV lambda( tot )= 0.021920 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 129 coord.: 0.50000 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.001422 gamma= 0.000292 meV omega= 37.3447 meV lambda( 2 )= 0.011949 gamma= 0.003176 meV omega= 42.4960 meV lambda( 3 )= 0.023875 gamma= 0.017700 meV omega= 70.9745 meV lambda( 4 )= 0.013205 gamma= 0.016178 meV omega= 91.2372 meV lambda( 5 )= 0.017592 gamma= 0.022300 meV omega= 92.8077 meV lambda( 6 )= 0.009498 gamma= 0.015436 meV omega= 105.0821 meV lambda( tot )= 0.077541 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 130 coord.: 0.50000 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006138 gamma= 0.000957 meV omega= 32.5419 meV lambda( 2 )= 0.005947 gamma= 0.000979 meV omega= 33.4447 meV lambda( 3 )= 0.058235 gamma= 0.049184 meV omega= 75.7547 meV lambda( 4 )= 0.030533 gamma= 0.037441 meV omega= 91.2799 meV lambda( 5 )= 0.030461 gamma= 0.037618 meV omega= 91.6045 meV lambda( 6 )= 0.019282 gamma= 0.032554 meV omega= 107.1062 meV lambda( tot )= 0.150596 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 131 coord.: 0.50000 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.001424 gamma= 0.000292 meV omega= 37.3447 meV lambda( 2 )= 0.011943 gamma= 0.003174 meV omega= 42.4960 meV lambda( 3 )= 0.023874 gamma= 0.017699 meV omega= 70.9745 meV lambda( 4 )= 0.013205 gamma= 0.016177 meV omega= 91.2372 meV lambda( 5 )= 0.017595 gamma= 0.022304 meV omega= 92.8077 meV lambda( 6 )= 0.009500 gamma= 0.015439 meV omega= 105.0821 meV lambda( tot )= 0.077541 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 132 coord.: 0.50000 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000283 gamma= 0.000079 meV omega= 43.6173 meV lambda( 2 )= 0.001992 gamma= 0.000687 meV omega= 48.4213 meV lambda( 3 )= 0.011246 gamma= 0.008147 meV omega= 70.1582 meV lambda( 4 )= 0.000833 gamma= 0.001007 meV omega= 90.6145 meV lambda( 5 )= 0.002484 gamma= 0.003106 meV omega= 92.1896 meV lambda( 6 )= 0.005081 gamma= 0.008185 meV omega= 104.6195 meV lambda( tot )= 0.021919 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 133 coord.: 0.50000 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000277 gamma= 0.000077 meV omega= 43.4094 meV lambda( 2 )= 0.002194 gamma= 0.000758 meV omega= 48.4535 meV lambda( 3 )= 0.010983 gamma= 0.007952 meV omega= 70.1383 meV lambda( 4 )= 0.000798 gamma= 0.000966 meV omega= 90.7189 meV lambda( 5 )= 0.002637 gamma= 0.003301 meV omega= 92.2331 meV lambda( 6 )= 0.005091 gamma= 0.008193 meV omega= 104.5756 meV lambda( tot )= 0.021980 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 134 coord.: 0.50000 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000073 gamma= 0.000024 meV omega= 47.4568 meV lambda( 2 )= 0.000283 gamma= 0.000109 meV omega= 51.1443 meV lambda( 3 )= 0.003732 gamma= 0.002716 meV omega= 70.3115 meV lambda( 4 )= 0.000392 gamma= 0.000469 meV omega= 90.0927 meV lambda( 5 )= 0.001119 gamma= 0.001387 meV omega= 91.7694 meV lambda( 6 )= 0.000990 gamma= 0.001536 meV omega= 102.7063 meV lambda( tot )= 0.006589 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 135 coord.: 0.50000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000441 gamma= 0.000123 meV omega= 43.6205 meV lambda( 2 )= 0.003608 gamma= 0.001508 meV omega= 53.2984 meV lambda( 3 )= 0.010138 gamma= 0.006768 meV omega= 67.3513 meV lambda( 4 )= 0.005420 gamma= 0.006617 meV omega= 91.0787 meV lambda( 5 )= 0.004966 gamma= 0.006121 meV omega= 91.5191 meV lambda( 6 )= 0.004960 gamma= 0.007770 meV omega= 103.1716 meV lambda( tot )= 0.029532 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 136 coord.: 0.50000 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.002778 gamma= 0.000558 meV omega= 36.9315 meV lambda( 2 )= 0.007632 gamma= 0.002018 meV omega= 42.3892 meV lambda( 3 )= 0.025104 gamma= 0.018376 meV omega= 70.5248 meV lambda( 4 )= 0.014041 gamma= 0.017276 meV omega= 91.4337 meV lambda( 5 )= 0.018358 gamma= 0.023371 meV omega= 93.0070 meV lambda( 6 )= 0.007965 gamma= 0.012979 meV omega= 105.2270 meV lambda( tot )= 0.075878 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 137 coord.: 0.50000 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006747 gamma= 0.001170 meV omega= 34.3301 meV lambda( 2 )= 0.006684 gamma= 0.001807 meV omega= 42.8555 meV lambda( 3 )= 0.029675 gamma= 0.019073 meV omega= 66.0846 meV lambda( 4 )= 0.022340 gamma= 0.027835 meV omega= 92.0109 meV lambda( 5 )= 0.012989 gamma= 0.016775 meV omega= 93.6774 meV lambda( 6 )= 0.014070 gamma= 0.023037 meV omega= 105.4773 meV lambda( tot )= 0.092506 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 138 coord.: 0.50000 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003396 gamma= 0.000770 meV omega= 39.2444 meV lambda( 2 )= 0.004973 gamma= 0.001662 meV omega= 47.6558 meV lambda( 3 )= 0.017971 gamma= 0.010602 meV omega= 63.3144 meV lambda( 4 )= 0.017028 gamma= 0.021410 meV omega= 92.4290 meV lambda( 5 )= 0.007067 gamma= 0.009120 meV omega= 93.6448 meV lambda( 6 )= 0.010625 gamma= 0.017077 meV omega= 104.4999 meV lambda( tot )= 0.061060 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 139 coord.: 0.50000 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.002777 gamma= 0.000557 meV omega= 36.9315 meV lambda( 2 )= 0.007635 gamma= 0.002019 meV omega= 42.3892 meV lambda( 3 )= 0.025106 gamma= 0.018377 meV omega= 70.5248 meV lambda( 4 )= 0.014043 gamma= 0.017278 meV omega= 91.4337 meV lambda( 5 )= 0.018357 gamma= 0.023369 meV omega= 93.0070 meV lambda( 6 )= 0.007960 gamma= 0.012972 meV omega= 105.2270 meV lambda( tot )= 0.075878 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 140 coord.: 0.50000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000441 gamma= 0.000123 meV omega= 43.6205 meV lambda( 2 )= 0.003608 gamma= 0.001508 meV omega= 53.2984 meV lambda( 3 )= 0.010138 gamma= 0.006768 meV omega= 67.3513 meV lambda( 4 )= 0.005420 gamma= 0.006617 meV omega= 91.0787 meV lambda( 5 )= 0.004966 gamma= 0.006121 meV omega= 91.5191 meV lambda( 6 )= 0.004961 gamma= 0.007771 meV omega= 103.1716 meV lambda( tot )= 0.029532 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 141 coord.: 0.50000 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000073 gamma= 0.000024 meV omega= 47.4568 meV lambda( 2 )= 0.000283 gamma= 0.000109 meV omega= 51.1443 meV lambda( 3 )= 0.003732 gamma= 0.002716 meV omega= 70.3115 meV lambda( 4 )= 0.000392 gamma= 0.000469 meV omega= 90.0927 meV lambda( 5 )= 0.001119 gamma= 0.001387 meV omega= 91.7694 meV lambda( 6 )= 0.000990 gamma= 0.001536 meV omega= 102.7063 meV lambda( tot )= 0.006589 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 142 coord.: 0.50000 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000278 gamma= 0.000077 meV omega= 43.4094 meV lambda( 2 )= 0.002194 gamma= 0.000758 meV omega= 48.4535 meV lambda( 3 )= 0.010981 gamma= 0.007950 meV omega= 70.1383 meV lambda( 4 )= 0.000798 gamma= 0.000966 meV omega= 90.7189 meV lambda( 5 )= 0.002636 gamma= 0.003300 meV omega= 92.2331 meV lambda( 6 )= 0.005093 gamma= 0.008197 meV omega= 104.5756 meV lambda( tot )= 0.021979 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 143 coord.: 0.50000 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003396 gamma= 0.000770 meV omega= 39.2444 meV lambda( 2 )= 0.004973 gamma= 0.001662 meV omega= 47.6558 meV lambda( 3 )= 0.017970 gamma= 0.010602 meV omega= 63.3144 meV lambda( 4 )= 0.017027 gamma= 0.021409 meV omega= 92.4290 meV lambda( 5 )= 0.007065 gamma= 0.009118 meV omega= 93.6448 meV lambda( 6 )= 0.010624 gamma= 0.017075 meV omega= 104.4999 meV lambda( tot )= 0.061056 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 144 coord.: 0.50000 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006748 gamma= 0.001170 meV omega= 34.3301 meV lambda( 2 )= 0.006674 gamma= 0.001804 meV omega= 42.8555 meV lambda( 3 )= 0.029685 gamma= 0.019079 meV omega= 66.0846 meV lambda( 4 )= 0.022339 gamma= 0.027833 meV omega= 92.0109 meV lambda( 5 )= 0.012992 gamma= 0.016779 meV omega= 93.6774 meV lambda( 6 )= 0.014067 gamma= 0.023033 meV omega= 105.4773 meV lambda( tot )= 0.092505 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 145 coord.: 0.66667 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 2 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 3 )= 0.067493 gamma= 0.038042 meV omega= 61.8857 meV lambda( 4 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 5 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 6 )= 0.053435 gamma= 0.091180 meV omega= 107.6780 meV lambda( tot )= 0.216017 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 146 coord.: 0.66667 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006748 gamma= 0.001170 meV omega= 34.3301 meV lambda( 2 )= 0.006674 gamma= 0.001804 meV omega= 42.8555 meV lambda( 3 )= 0.029685 gamma= 0.019079 meV omega= 66.0846 meV lambda( 4 )= 0.022339 gamma= 0.027833 meV omega= 92.0109 meV lambda( 5 )= 0.012992 gamma= 0.016779 meV omega= 93.6774 meV lambda( 6 )= 0.014067 gamma= 0.023033 meV omega= 105.4773 meV lambda( tot )= 0.092505 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 147 coord.: 0.66667 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000768 gamma= 0.000197 meV omega= 41.7010 meV lambda( 2 )= 0.001384 gamma= 0.000663 meV omega= 57.0532 meV lambda( 3 )= 0.013588 gamma= 0.008618 meV omega= 65.6468 meV lambda( 4 )= 0.004548 gamma= 0.005489 meV omega= 90.5575 meV lambda( 5 )= 0.000815 gamma= 0.001006 meV omega= 91.5829 meV lambda( 6 )= 0.006970 gamma= 0.010979 meV omega= 103.4576 meV lambda( tot )= 0.028073 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 148 coord.: 0.66667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000283 gamma= 0.000079 meV omega= 43.6173 meV lambda( 2 )= 0.001993 gamma= 0.000688 meV omega= 48.4213 meV lambda( 3 )= 0.011248 gamma= 0.008148 meV omega= 70.1582 meV lambda( 4 )= 0.000833 gamma= 0.001007 meV omega= 90.6145 meV lambda( 5 )= 0.002484 gamma= 0.003107 meV omega= 92.1896 meV lambda( 6 )= 0.005078 gamma= 0.008180 meV omega= 104.6195 meV lambda( tot )= 0.021920 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 149 coord.: 0.66667 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000852 gamma= 0.000203 meV omega= 40.2848 meV lambda( 2 )= 0.000852 gamma= 0.000203 meV omega= 40.2848 meV lambda( 3 )= 0.014537 gamma= 0.008317 meV omega= 62.3479 meV lambda( 4 )= 0.004624 gamma= 0.005806 meV omega= 92.3648 meV lambda( 5 )= 0.004624 gamma= 0.005806 meV omega= 92.3648 meV lambda( 6 )= 0.017197 gamma= 0.029404 meV omega= 107.7870 meV lambda( tot )= 0.042686 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 150 coord.: 0.66667 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003348 gamma= 0.000530 meV omega= 32.7964 meV lambda( 2 )= 0.008369 gamma= 0.001450 meV omega= 34.3110 meV lambda( 3 )= 0.028471 gamma= 0.012633 meV omega= 54.9089 meV lambda( 4 )= 0.023111 gamma= 0.029594 meV omega= 93.2784 meV lambda( 5 )= 0.026060 gamma= 0.034256 meV omega= 94.5085 meV lambda( 6 )= 0.031477 gamma= 0.052248 meV omega= 106.2001 meV lambda( tot )= 0.120836 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 151 coord.: 0.66667 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.019504 gamma= 0.003292 meV omega= 33.8650 meV lambda( 2 )= 0.008241 gamma= 0.002263 meV omega= 43.2002 meV lambda( 3 )= 0.026139 gamma= 0.017295 meV omega= 67.0515 meV lambda( 4 )= 0.028451 gamma= 0.035595 meV omega= 92.1998 meV lambda( 5 )= 0.016774 gamma= 0.021512 meV omega= 93.3504 meV lambda( 6 )= 0.017447 gamma= 0.028309 meV omega= 105.0007 meV lambda( tot )= 0.116556 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 152 coord.: 0.66667 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.001422 gamma= 0.000292 meV omega= 37.3447 meV lambda( 2 )= 0.011949 gamma= 0.003176 meV omega= 42.4960 meV lambda( 3 )= 0.023875 gamma= 0.017700 meV omega= 70.9745 meV lambda( 4 )= 0.013205 gamma= 0.016178 meV omega= 91.2372 meV lambda( 5 )= 0.017592 gamma= 0.022300 meV omega= 92.8077 meV lambda( 6 )= 0.009498 gamma= 0.015436 meV omega= 105.0821 meV lambda( tot )= 0.077542 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 153 coord.: 0.66667 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000606 gamma= 0.000167 meV omega= 43.3152 meV lambda( 2 )= 0.004350 gamma= 0.001872 meV omega= 54.0722 meV lambda( 3 )= 0.010070 gamma= 0.006729 meV omega= 67.3791 meV lambda( 4 )= 0.005094 gamma= 0.006196 meV omega= 90.9059 meV lambda( 5 )= 0.004136 gamma= 0.005116 meV omega= 91.6849 meV lambda( 6 )= 0.005195 gamma= 0.008093 meV omega= 102.8842 meV lambda( tot )= 0.029451 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 154 coord.: 0.66667 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000073 gamma= 0.000024 meV omega= 47.4568 meV lambda( 2 )= 0.000283 gamma= 0.000109 meV omega= 51.1443 meV lambda( 3 )= 0.003732 gamma= 0.002716 meV omega= 70.3115 meV lambda( 4 )= 0.000392 gamma= 0.000469 meV omega= 90.0927 meV lambda( 5 )= 0.001119 gamma= 0.001387 meV omega= 91.7694 meV lambda( 6 )= 0.000990 gamma= 0.001536 meV omega= 102.7063 meV lambda( tot )= 0.006589 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 155 coord.: 0.66667 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.000142 gamma= -0.000037 meV omega= 41.8048 meV lambda( 2 )= 0.001252 gamma= 0.000439 meV omega= 48.8021 meV lambda( 3 )= 0.011212 gamma= 0.008205 meV omega= 70.5159 meV lambda( 4 )= 0.000871 gamma= 0.001072 meV omega= 91.4694 meV lambda( 5 )= 0.003652 gamma= 0.004587 meV omega= 92.3808 meV lambda( 6 )= 0.004441 gamma= 0.007073 meV omega= 104.0277 meV lambda( tot )= 0.021286 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 156 coord.: 0.66667 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003047 gamma= 0.000713 meV omega= 39.8873 meV lambda( 2 )= 0.005161 gamma= 0.001691 meV omega= 47.1858 meV lambda( 3 )= 0.018111 gamma= 0.010793 meV omega= 63.6333 meV lambda( 4 )= 0.013910 gamma= 0.017341 meV omega= 92.0366 meV lambda( 5 )= 0.012924 gamma= 0.016729 meV omega= 93.7822 meV lambda( 6 )= 0.010007 gamma= 0.016083 meV omega= 104.4993 meV lambda( tot )= 0.063161 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 157 coord.: 0.66667 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000768 gamma= 0.000197 meV omega= 41.7010 meV lambda( 2 )= 0.001384 gamma= 0.000663 meV omega= 57.0532 meV lambda( 3 )= 0.013588 gamma= 0.008618 meV omega= 65.6468 meV lambda( 4 )= 0.004548 gamma= 0.005489 meV omega= 90.5575 meV lambda( 5 )= 0.000815 gamma= 0.001006 meV omega= 91.5829 meV lambda( 6 )= 0.006970 gamma= 0.010979 meV omega= 103.4576 meV lambda( tot )= 0.028073 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 158 coord.: 0.66667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000441 gamma= 0.000123 meV omega= 43.6205 meV lambda( 2 )= 0.003608 gamma= 0.001508 meV omega= 53.2984 meV lambda( 3 )= 0.010138 gamma= 0.006768 meV omega= 67.3513 meV lambda( 4 )= 0.005420 gamma= 0.006617 meV omega= 91.0787 meV lambda( 5 )= 0.004966 gamma= 0.006121 meV omega= 91.5191 meV lambda( 6 )= 0.004960 gamma= 0.007770 meV omega= 103.1716 meV lambda( tot )= 0.029532 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 159 coord.: 0.66667 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000768 gamma= 0.000197 meV omega= 41.7010 meV lambda( 2 )= 0.001384 gamma= 0.000663 meV omega= 57.0532 meV lambda( 3 )= 0.013588 gamma= 0.008618 meV omega= 65.6468 meV lambda( 4 )= 0.004548 gamma= 0.005489 meV omega= 90.5575 meV lambda( 5 )= 0.000815 gamma= 0.001006 meV omega= 91.5829 meV lambda( 6 )= 0.006970 gamma= 0.010979 meV omega= 103.4576 meV lambda( tot )= 0.028073 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 160 coord.: 0.66667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000441 gamma= 0.000123 meV omega= 43.6205 meV lambda( 2 )= 0.003608 gamma= 0.001508 meV omega= 53.2984 meV lambda( 3 )= 0.010138 gamma= 0.006768 meV omega= 67.3513 meV lambda( 4 )= 0.005420 gamma= 0.006617 meV omega= 91.0787 meV lambda( 5 )= 0.004966 gamma= 0.006121 meV omega= 91.5191 meV lambda( 6 )= 0.004961 gamma= 0.007771 meV omega= 103.1716 meV lambda( tot )= 0.029532 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 161 coord.: 0.66667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000768 gamma= 0.000197 meV omega= 41.7010 meV lambda( 2 )= 0.001384 gamma= 0.000663 meV omega= 57.0532 meV lambda( 3 )= 0.013588 gamma= 0.008618 meV omega= 65.6468 meV lambda( 4 )= 0.004548 gamma= 0.005489 meV omega= 90.5575 meV lambda( 5 )= 0.000815 gamma= 0.001006 meV omega= 91.5829 meV lambda( 6 )= 0.006970 gamma= 0.010979 meV omega= 103.4576 meV lambda( tot )= 0.028073 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 162 coord.: 0.66667 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000469 gamma= 0.000128 meV omega= 43.0082 meV lambda( 2 )= 0.003432 gamma= 0.001424 meV omega= 53.1026 meV lambda( 3 )= 0.010324 gamma= 0.006875 meV omega= 67.2654 meV lambda( 4 )= 0.006150 gamma= 0.007542 meV omega= 91.2809 meV lambda( 5 )= 0.003760 gamma= 0.004678 meV omega= 91.9415 meV lambda( 6 )= 0.004967 gamma= 0.007760 meV omega= 103.0312 meV lambda( tot )= 0.029102 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 163 coord.: 0.66667 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.000142 gamma= -0.000037 meV omega= 41.8048 meV lambda( 2 )= 0.001253 gamma= 0.000439 meV omega= 48.8021 meV lambda( 3 )= 0.011214 gamma= 0.008206 meV omega= 70.5159 meV lambda( 4 )= 0.000871 gamma= 0.001072 meV omega= 91.4694 meV lambda( 5 )= 0.003653 gamma= 0.004588 meV omega= 92.3808 meV lambda( 6 )= 0.004438 gamma= 0.007068 meV omega= 104.0277 meV lambda( tot )= 0.021286 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 164 coord.: 0.66667 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000073 gamma= 0.000024 meV omega= 47.4568 meV lambda( 2 )= 0.000283 gamma= 0.000109 meV omega= 51.1443 meV lambda( 3 )= 0.003732 gamma= 0.002716 meV omega= 70.3115 meV lambda( 4 )= 0.000392 gamma= 0.000469 meV omega= 90.0927 meV lambda( 5 )= 0.001119 gamma= 0.001387 meV omega= 91.7694 meV lambda( 6 )= 0.000990 gamma= 0.001536 meV omega= 102.7063 meV lambda( tot )= 0.006589 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 165 coord.: 0.66667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000606 gamma= 0.000167 meV omega= 43.3152 meV lambda( 2 )= 0.004350 gamma= 0.001872 meV omega= 54.0722 meV lambda( 3 )= 0.010070 gamma= 0.006729 meV omega= 67.3791 meV lambda( 4 )= 0.005094 gamma= 0.006196 meV omega= 90.9059 meV lambda( 5 )= 0.004136 gamma= 0.005116 meV omega= 91.6849 meV lambda( 6 )= 0.005195 gamma= 0.008093 meV omega= 102.8842 meV lambda( tot )= 0.029451 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 166 coord.: 0.66667 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.001424 gamma= 0.000292 meV omega= 37.3447 meV lambda( 2 )= 0.011943 gamma= 0.003174 meV omega= 42.4960 meV lambda( 3 )= 0.023874 gamma= 0.017699 meV omega= 70.9745 meV lambda( 4 )= 0.013205 gamma= 0.016177 meV omega= 91.2372 meV lambda( 5 )= 0.017595 gamma= 0.022304 meV omega= 92.8077 meV lambda( 6 )= 0.009500 gamma= 0.015439 meV omega= 105.0821 meV lambda( tot )= 0.077541 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 167 coord.: 0.66667 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.019503 gamma= 0.003292 meV omega= 33.8650 meV lambda( 2 )= 0.008250 gamma= 0.002266 meV omega= 43.2002 meV lambda( 3 )= 0.026129 gamma= 0.017289 meV omega= 67.0515 meV lambda( 4 )= 0.028450 gamma= 0.035593 meV omega= 92.1998 meV lambda( 5 )= 0.016770 gamma= 0.021507 meV omega= 93.3504 meV lambda( 6 )= 0.017447 gamma= 0.028309 meV omega= 105.0007 meV lambda( tot )= 0.116549 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 168 coord.: 0.66667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003047 gamma= 0.000713 meV omega= 39.8873 meV lambda( 2 )= 0.005160 gamma= 0.001691 meV omega= 47.1858 meV lambda( 3 )= 0.018110 gamma= 0.010792 meV omega= 63.6333 meV lambda( 4 )= 0.013909 gamma= 0.017340 meV omega= 92.0366 meV lambda( 5 )= 0.012924 gamma= 0.016728 meV omega= 93.7822 meV lambda( 6 )= 0.010008 gamma= 0.016084 meV omega= 104.4993 meV lambda( tot )= 0.063158 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 169 coord.: 0.66667 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000852 gamma= 0.000203 meV omega= 40.2848 meV lambda( 2 )= 0.000852 gamma= 0.000203 meV omega= 40.2848 meV lambda( 3 )= 0.014537 gamma= 0.008317 meV omega= 62.3479 meV lambda( 4 )= 0.004624 gamma= 0.005806 meV omega= 92.3648 meV lambda( 5 )= 0.004624 gamma= 0.005806 meV omega= 92.3648 meV lambda( 6 )= 0.017197 gamma= 0.029404 meV omega= 107.7870 meV lambda( tot )= 0.042686 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 170 coord.: 0.66667 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000283 gamma= 0.000079 meV omega= 43.6173 meV lambda( 2 )= 0.001992 gamma= 0.000687 meV omega= 48.4213 meV lambda( 3 )= 0.011246 gamma= 0.008147 meV omega= 70.1582 meV lambda( 4 )= 0.000833 gamma= 0.001007 meV omega= 90.6145 meV lambda( 5 )= 0.002484 gamma= 0.003106 meV omega= 92.1896 meV lambda( 6 )= 0.005081 gamma= 0.008185 meV omega= 104.6195 meV lambda( tot )= 0.021919 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 171 coord.: 0.66667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000768 gamma= 0.000197 meV omega= 41.7010 meV lambda( 2 )= 0.001384 gamma= 0.000663 meV omega= 57.0532 meV lambda( 3 )= 0.013588 gamma= 0.008618 meV omega= 65.6468 meV lambda( 4 )= 0.004548 gamma= 0.005489 meV omega= 90.5575 meV lambda( 5 )= 0.000815 gamma= 0.001006 meV omega= 91.5829 meV lambda( 6 )= 0.006970 gamma= 0.010979 meV omega= 103.4576 meV lambda( tot )= 0.028073 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 172 coord.: 0.66667 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006748 gamma= 0.001170 meV omega= 34.3301 meV lambda( 2 )= 0.006684 gamma= 0.001807 meV omega= 42.8555 meV lambda( 3 )= 0.029675 gamma= 0.019073 meV omega= 66.0846 meV lambda( 4 )= 0.022340 gamma= 0.027835 meV omega= 92.0109 meV lambda( 5 )= 0.012989 gamma= 0.016775 meV omega= 93.6774 meV lambda( 6 )= 0.014070 gamma= 0.023037 meV omega= 105.4773 meV lambda( tot )= 0.092506 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 173 coord.: 0.66667 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 2 )= 0.008337 gamma= 0.001023 meV omega= 28.8761 meV lambda( 3 )= 0.067493 gamma= 0.038042 meV omega= 61.8857 meV lambda( 4 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 5 )= 0.039207 gamma= 0.049773 meV omega= 92.8762 meV lambda( 6 )= 0.053435 gamma= 0.091180 meV omega= 107.6780 meV lambda( tot )= 0.216017 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 174 coord.: 0.66667 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003349 gamma= 0.000530 meV omega= 32.7964 meV lambda( 2 )= 0.008367 gamma= 0.001450 meV omega= 34.3110 meV lambda( 3 )= 0.028472 gamma= 0.012633 meV omega= 54.9089 meV lambda( 4 )= 0.023111 gamma= 0.029594 meV omega= 93.2784 meV lambda( 5 )= 0.026061 gamma= 0.034257 meV omega= 94.5085 meV lambda( 6 )= 0.031481 gamma= 0.052254 meV omega= 106.2001 meV lambda( tot )= 0.120840 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 175 coord.: 0.66667 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.001936 gamma= -0.000299 meV omega= 32.3972 meV lambda( 2 )= 0.009663 gamma= 0.001511 meV omega= 32.6006 meV lambda( 3 )= 0.037198 gamma= 0.017189 meV omega= 56.0346 meV lambda( 4 )= 0.023991 gamma= 0.030819 meV omega= 93.4282 meV lambda( 5 )= 0.025495 gamma= 0.034196 meV omega= 95.4660 meV lambda( 6 )= 0.026537 gamma= 0.043288 meV omega= 105.2815 meV lambda( tot )= 0.120948 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 176 coord.: 0.66667 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003396 gamma= 0.000770 meV omega= 39.2444 meV lambda( 2 )= 0.004973 gamma= 0.001662 meV omega= 47.6558 meV lambda( 3 )= 0.017971 gamma= 0.010602 meV omega= 63.3144 meV lambda( 4 )= 0.017028 gamma= 0.021410 meV omega= 92.4290 meV lambda( 5 )= 0.007067 gamma= 0.009120 meV omega= 93.6448 meV lambda( 6 )= 0.010625 gamma= 0.017077 meV omega= 104.4999 meV lambda( tot )= 0.061060 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 177 coord.: 0.66667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000606 gamma= 0.000167 meV omega= 43.3152 meV lambda( 2 )= 0.004350 gamma= 0.001872 meV omega= 54.0722 meV lambda( 3 )= 0.010070 gamma= 0.006729 meV omega= 67.3791 meV lambda( 4 )= 0.005094 gamma= 0.006196 meV omega= 90.9059 meV lambda( 5 )= 0.004136 gamma= 0.005116 meV omega= 91.6849 meV lambda( 6 )= 0.005195 gamma= 0.008093 meV omega= 102.8842 meV lambda( tot )= 0.029451 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 178 coord.: 0.66667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003396 gamma= 0.000770 meV omega= 39.2444 meV lambda( 2 )= 0.004973 gamma= 0.001662 meV omega= 47.6558 meV lambda( 3 )= 0.017970 gamma= 0.010602 meV omega= 63.3144 meV lambda( 4 )= 0.017027 gamma= 0.021409 meV omega= 92.4290 meV lambda( 5 )= 0.007065 gamma= 0.009118 meV omega= 93.6448 meV lambda( 6 )= 0.010624 gamma= 0.017075 meV omega= 104.4999 meV lambda( tot )= 0.061056 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 179 coord.: 0.66667 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.001931 gamma= -0.000298 meV omega= 32.3972 meV lambda( 2 )= 0.009664 gamma= 0.001512 meV omega= 32.6006 meV lambda( 3 )= 0.037201 gamma= 0.017191 meV omega= 56.0346 meV lambda( 4 )= 0.023989 gamma= 0.030817 meV omega= 93.4282 meV lambda( 5 )= 0.025493 gamma= 0.034193 meV omega= 95.4660 meV lambda( 6 )= 0.026538 gamma= 0.043291 meV omega= 105.2815 meV lambda( tot )= 0.120955 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 180 coord.: 0.66667 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000719 gamma= 0.000062 meV omega= 24.1984 meV lambda( 2 )= 0.012982 gamma= 0.002058 meV omega= 32.8193 meV lambda( 3 )= 0.025745 gamma= 0.008983 meV omega= 48.6902 meV lambda( 4 )= 0.028046 gamma= 0.036290 meV omega= 93.7668 meV lambda( 5 )= 0.022330 gamma= 0.030304 meV omega= 96.0269 meV lambda( 6 )= 0.022804 gamma= 0.036249 meV omega= 103.9283 meV lambda( tot )= 0.112625 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 181 coord.: 0.83333 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.048002 gamma= -0.001843 meV omega= 16.1525 meV lambda( 2 )= -0.030179 gamma= -0.001370 meV omega= 17.5653 meV lambda( 3 )= 0.037733 gamma= 0.006060 meV omega= 33.0342 meV lambda( 4 )= 0.036003 gamma= 0.047010 meV omega= 94.1917 meV lambda( 5 )= 0.037788 gamma= 0.049576 meV omega= 94.4169 meV lambda( 6 )= 0.054485 gamma= 0.081620 meV omega= 100.8906 meV lambda( tot )= 0.087827 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 182 coord.: 0.83333 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000719 gamma= 0.000062 meV omega= 24.1984 meV lambda( 2 )= 0.012982 gamma= 0.002058 meV omega= 32.8193 meV lambda( 3 )= 0.025745 gamma= 0.008983 meV omega= 48.6902 meV lambda( 4 )= 0.028046 gamma= 0.036290 meV omega= 93.7668 meV lambda( 5 )= 0.022330 gamma= 0.030304 meV omega= 96.0269 meV lambda( 6 )= 0.022804 gamma= 0.036249 meV omega= 103.9283 meV lambda( tot )= 0.112626 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 183 coord.: 0.83333 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006747 gamma= 0.001170 meV omega= 34.3301 meV lambda( 2 )= 0.006684 gamma= 0.001807 meV omega= 42.8555 meV lambda( 3 )= 0.029675 gamma= 0.019073 meV omega= 66.0846 meV lambda( 4 )= 0.022340 gamma= 0.027835 meV omega= 92.0109 meV lambda( 5 )= 0.012989 gamma= 0.016775 meV omega= 93.6774 meV lambda( 6 )= 0.014070 gamma= 0.023037 meV omega= 105.4773 meV lambda( tot )= 0.092506 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 184 coord.: 0.83333 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.001422 gamma= 0.000292 meV omega= 37.3447 meV lambda( 2 )= 0.011949 gamma= 0.003176 meV omega= 42.4960 meV lambda( 3 )= 0.023875 gamma= 0.017700 meV omega= 70.9745 meV lambda( 4 )= 0.013205 gamma= 0.016178 meV omega= 91.2372 meV lambda( 5 )= 0.017592 gamma= 0.022300 meV omega= 92.8077 meV lambda( 6 )= 0.009498 gamma= 0.015436 meV omega= 105.0821 meV lambda( tot )= 0.077542 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 185 coord.: 0.83333 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003348 gamma= 0.000530 meV omega= 32.7964 meV lambda( 2 )= 0.008369 gamma= 0.001450 meV omega= 34.3110 meV lambda( 3 )= 0.028471 gamma= 0.012633 meV omega= 54.9089 meV lambda( 4 )= 0.023111 gamma= 0.029594 meV omega= 93.2784 meV lambda( 5 )= 0.026060 gamma= 0.034256 meV omega= 94.5085 meV lambda( 6 )= 0.031477 gamma= 0.052248 meV omega= 106.2001 meV lambda( tot )= 0.120836 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 186 coord.: 0.83333 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.018139 gamma= 0.001195 meV omega= 21.1579 meV lambda( 2 )= -0.017423 gamma= -0.001341 meV omega= 22.8690 meV lambda( 3 )= 0.018753 gamma= 0.003227 meV omega= 34.1948 meV lambda( 4 )= 0.044449 gamma= 0.058578 meV omega= 94.6291 meV lambda( 5 )= 0.046848 gamma= 0.062307 meV omega= 95.0632 meV lambda( 6 )= 0.082428 gamma= 0.125644 meV omega= 101.7712 meV lambda( tot )= 0.193194 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 187 coord.: 0.83333 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053616 gamma= 0.004459 meV omega= 23.7710 meV lambda( 2 )= 0.000431 gamma= 0.000066 meV omega= 32.3606 meV lambda( 3 )= 0.000772 gamma= 0.000265 meV omega= 48.3490 meV lambda( 4 )= 0.031641 gamma= 0.041193 meV omega= 94.0538 meV lambda( 5 )= 0.029447 gamma= 0.039652 meV omega= 95.6542 meV lambda( 6 )= 0.026926 gamma= 0.043203 meV omega= 104.4133 meV lambda( tot )= 0.142832 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 188 coord.: 0.83333 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003348 gamma= 0.000530 meV omega= 32.7964 meV lambda( 2 )= 0.008369 gamma= 0.001450 meV omega= 34.3110 meV lambda( 3 )= 0.028471 gamma= 0.012633 meV omega= 54.9089 meV lambda( 4 )= 0.023111 gamma= 0.029594 meV omega= 93.2784 meV lambda( 5 )= 0.026060 gamma= 0.034256 meV omega= 94.5085 meV lambda( 6 )= 0.031477 gamma= 0.052248 meV omega= 106.2001 meV lambda( tot )= 0.120836 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 189 coord.: 0.83333 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003396 gamma= 0.000770 meV omega= 39.2444 meV lambda( 2 )= 0.004973 gamma= 0.001662 meV omega= 47.6558 meV lambda( 3 )= 0.017970 gamma= 0.010602 meV omega= 63.3144 meV lambda( 4 )= 0.017027 gamma= 0.021409 meV omega= 92.4290 meV lambda( 5 )= 0.007065 gamma= 0.009118 meV omega= 93.6448 meV lambda( 6 )= 0.010624 gamma= 0.017075 meV omega= 104.4999 meV lambda( tot )= 0.061056 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 190 coord.: 0.83333 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000441 gamma= 0.000123 meV omega= 43.6205 meV lambda( 2 )= 0.003608 gamma= 0.001508 meV omega= 53.2984 meV lambda( 3 )= 0.010138 gamma= 0.006768 meV omega= 67.3513 meV lambda( 4 )= 0.005420 gamma= 0.006617 meV omega= 91.0787 meV lambda( 5 )= 0.004966 gamma= 0.006121 meV omega= 91.5191 meV lambda( 6 )= 0.004960 gamma= 0.007770 meV omega= 103.1716 meV lambda( tot )= 0.029532 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 191 coord.: 0.83333 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003047 gamma= 0.000713 meV omega= 39.8873 meV lambda( 2 )= 0.005161 gamma= 0.001691 meV omega= 47.1858 meV lambda( 3 )= 0.018111 gamma= 0.010793 meV omega= 63.6333 meV lambda( 4 )= 0.013910 gamma= 0.017341 meV omega= 92.0366 meV lambda( 5 )= 0.012924 gamma= 0.016729 meV omega= 93.7822 meV lambda( 6 )= 0.010007 gamma= 0.016083 meV omega= 104.4993 meV lambda( tot )= 0.063161 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 192 coord.: 0.83333 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.004355 gamma= 0.000699 meV omega= 33.0338 meV lambda( 2 )= 0.003305 gamma= 0.000547 meV omega= 33.5473 meV lambda( 3 )= 0.030142 gamma= 0.013436 meV omega= 55.0358 meV lambda( 4 )= 0.023171 gamma= 0.029670 meV omega= 93.2759 meV lambda( 5 )= 0.025554 gamma= 0.033645 meV omega= 94.5850 meV lambda( 6 )= 0.030675 gamma= 0.050953 meV omega= 106.2389 meV lambda( tot )= 0.117201 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 193 coord.: 0.83333 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.007297 gamma= 0.001301 meV omega= 34.8075 meV lambda( 2 )= 0.003522 gamma= 0.000939 meV omega= 42.5756 meV lambda( 3 )= 0.030622 gamma= 0.019985 meV omega= 66.5934 meV lambda( 4 )= 0.023692 gamma= 0.029415 meV omega= 91.8482 meV lambda( 5 )= 0.014727 gamma= 0.018991 meV omega= 93.6083 meV lambda( 6 )= 0.013222 gamma= 0.021584 meV omega= 105.3172 meV lambda( tot )= 0.093081 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 194 coord.: 0.83333 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003047 gamma= 0.000713 meV omega= 39.8873 meV lambda( 2 )= 0.005161 gamma= 0.001691 meV omega= 47.1858 meV lambda( 3 )= 0.018111 gamma= 0.010793 meV omega= 63.6333 meV lambda( 4 )= 0.013910 gamma= 0.017341 meV omega= 92.0366 meV lambda( 5 )= 0.012924 gamma= 0.016729 meV omega= 93.7822 meV lambda( 6 )= 0.010007 gamma= 0.016083 meV omega= 104.4993 meV lambda( tot )= 0.063161 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 195 coord.: 0.83333 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000283 gamma= 0.000079 meV omega= 43.6173 meV lambda( 2 )= 0.001993 gamma= 0.000688 meV omega= 48.4213 meV lambda( 3 )= 0.011248 gamma= 0.008148 meV omega= 70.1582 meV lambda( 4 )= 0.000833 gamma= 0.001007 meV omega= 90.6145 meV lambda( 5 )= 0.002484 gamma= 0.003107 meV omega= 92.1896 meV lambda( 6 )= 0.005078 gamma= 0.008180 meV omega= 104.6195 meV lambda( tot )= 0.021920 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 196 coord.: 0.83333 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000073 gamma= 0.000024 meV omega= 47.4568 meV lambda( 2 )= 0.000283 gamma= 0.000109 meV omega= 51.1443 meV lambda( 3 )= 0.003732 gamma= 0.002716 meV omega= 70.3115 meV lambda( 4 )= 0.000392 gamma= 0.000469 meV omega= 90.0927 meV lambda( 5 )= 0.001119 gamma= 0.001387 meV omega= 91.7694 meV lambda( 6 )= 0.000990 gamma= 0.001536 meV omega= 102.7063 meV lambda( tot )= 0.006589 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 197 coord.: 0.83333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000469 gamma= 0.000128 meV omega= 43.0082 meV lambda( 2 )= 0.003432 gamma= 0.001424 meV omega= 53.1026 meV lambda( 3 )= 0.010324 gamma= 0.006875 meV omega= 67.2654 meV lambda( 4 )= 0.006150 gamma= 0.007542 meV omega= 91.2809 meV lambda( 5 )= 0.003760 gamma= 0.004678 meV omega= 91.9415 meV lambda( 6 )= 0.004967 gamma= 0.007760 meV omega= 103.0312 meV lambda( tot )= 0.029102 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 198 coord.: 0.83333 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.001292 gamma= -0.000247 meV omega= 36.0771 meV lambda( 2 )= 0.006630 gamma= 0.001725 meV omega= 42.0491 meV lambda( 3 )= 0.027323 gamma= 0.020375 meV omega= 71.1824 meV lambda( 4 )= 0.016600 gamma= 0.020576 meV omega= 91.7741 meV lambda( 5 )= 0.020361 gamma= 0.025963 meV omega= 93.0804 meV lambda( 6 )= 0.005049 gamma= 0.008169 meV omega= 104.8551 meV lambda( tot )= 0.074672 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 199 coord.: 0.83333 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.001291 gamma= -0.000247 meV omega= 36.0771 meV lambda( 2 )= 0.006632 gamma= 0.001726 meV omega= 42.0491 meV lambda( 3 )= 0.027324 gamma= 0.020376 meV omega= 71.1824 meV lambda( 4 )= 0.016601 gamma= 0.020578 meV omega= 91.7741 meV lambda( 5 )= 0.020359 gamma= 0.025959 meV omega= 93.0804 meV lambda( 6 )= 0.005044 gamma= 0.008162 meV omega= 104.8551 meV lambda( tot )= 0.074670 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 200 coord.: 0.83333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000469 gamma= 0.000128 meV omega= 43.0082 meV lambda( 2 )= 0.003432 gamma= 0.001424 meV omega= 53.1026 meV lambda( 3 )= 0.010324 gamma= 0.006875 meV omega= 67.2654 meV lambda( 4 )= 0.006150 gamma= 0.007542 meV omega= 91.2809 meV lambda( 5 )= 0.003760 gamma= 0.004678 meV omega= 91.9415 meV lambda( 6 )= 0.004967 gamma= 0.007760 meV omega= 103.0312 meV lambda( tot )= 0.029102 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 201 coord.: 0.83333 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000073 gamma= 0.000024 meV omega= 47.4568 meV lambda( 2 )= 0.000283 gamma= 0.000109 meV omega= 51.1443 meV lambda( 3 )= 0.003732 gamma= 0.002716 meV omega= 70.3115 meV lambda( 4 )= 0.000392 gamma= 0.000469 meV omega= 90.0927 meV lambda( 5 )= 0.001119 gamma= 0.001387 meV omega= 91.7694 meV lambda( 6 )= 0.000990 gamma= 0.001536 meV omega= 102.7063 meV lambda( tot )= 0.006589 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 202 coord.: 0.83333 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000283 gamma= 0.000079 meV omega= 43.6173 meV lambda( 2 )= 0.001992 gamma= 0.000687 meV omega= 48.4213 meV lambda( 3 )= 0.011246 gamma= 0.008147 meV omega= 70.1582 meV lambda( 4 )= 0.000833 gamma= 0.001007 meV omega= 90.6145 meV lambda( 5 )= 0.002484 gamma= 0.003106 meV omega= 92.1896 meV lambda( 6 )= 0.005081 gamma= 0.008185 meV omega= 104.6195 meV lambda( tot )= 0.021919 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 203 coord.: 0.83333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003047 gamma= 0.000713 meV omega= 39.8873 meV lambda( 2 )= 0.005160 gamma= 0.001691 meV omega= 47.1858 meV lambda( 3 )= 0.018110 gamma= 0.010792 meV omega= 63.6333 meV lambda( 4 )= 0.013909 gamma= 0.017340 meV omega= 92.0366 meV lambda( 5 )= 0.012924 gamma= 0.016728 meV omega= 93.7822 meV lambda( 6 )= 0.010008 gamma= 0.016084 meV omega= 104.4993 meV lambda( tot )= 0.063158 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 204 coord.: 0.83333 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.007299 gamma= 0.001301 meV omega= 34.8075 meV lambda( 2 )= 0.003511 gamma= 0.000937 meV omega= 42.5756 meV lambda( 3 )= 0.030632 gamma= 0.019992 meV omega= 66.5934 meV lambda( 4 )= 0.023691 gamma= 0.029413 meV omega= 91.8482 meV lambda( 5 )= 0.014731 gamma= 0.018997 meV omega= 93.6083 meV lambda( 6 )= 0.013219 gamma= 0.021579 meV omega= 105.3172 meV lambda( tot )= 0.093083 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 205 coord.: 0.83333 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.004352 gamma= 0.000699 meV omega= 33.0338 meV lambda( 2 )= 0.003307 gamma= 0.000548 meV omega= 33.5473 meV lambda( 3 )= 0.030140 gamma= 0.013436 meV omega= 55.0358 meV lambda( 4 )= 0.023172 gamma= 0.029670 meV omega= 93.2759 meV lambda( 5 )= 0.025553 gamma= 0.033645 meV omega= 94.5850 meV lambda( 6 )= 0.030671 gamma= 0.050947 meV omega= 106.2389 meV lambda( tot )= 0.117196 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 206 coord.: 0.83333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003047 gamma= 0.000713 meV omega= 39.8873 meV lambda( 2 )= 0.005160 gamma= 0.001691 meV omega= 47.1858 meV lambda( 3 )= 0.018110 gamma= 0.010792 meV omega= 63.6333 meV lambda( 4 )= 0.013909 gamma= 0.017340 meV omega= 92.0366 meV lambda( 5 )= 0.012924 gamma= 0.016728 meV omega= 93.7822 meV lambda( 6 )= 0.010008 gamma= 0.016084 meV omega= 104.4993 meV lambda( tot )= 0.063158 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 207 coord.: 0.83333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000441 gamma= 0.000123 meV omega= 43.6205 meV lambda( 2 )= 0.003608 gamma= 0.001508 meV omega= 53.2984 meV lambda( 3 )= 0.010138 gamma= 0.006768 meV omega= 67.3513 meV lambda( 4 )= 0.005420 gamma= 0.006617 meV omega= 91.0787 meV lambda( 5 )= 0.004966 gamma= 0.006121 meV omega= 91.5191 meV lambda( 6 )= 0.004961 gamma= 0.007771 meV omega= 103.1716 meV lambda( tot )= 0.029532 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 208 coord.: 0.83333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003396 gamma= 0.000770 meV omega= 39.2444 meV lambda( 2 )= 0.004973 gamma= 0.001662 meV omega= 47.6558 meV lambda( 3 )= 0.017971 gamma= 0.010602 meV omega= 63.3144 meV lambda( 4 )= 0.017028 gamma= 0.021410 meV omega= 92.4290 meV lambda( 5 )= 0.007067 gamma= 0.009120 meV omega= 93.6448 meV lambda( 6 )= 0.010625 gamma= 0.017077 meV omega= 104.4999 meV lambda( tot )= 0.061060 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 209 coord.: 0.83333 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003349 gamma= 0.000530 meV omega= 32.7964 meV lambda( 2 )= 0.008367 gamma= 0.001450 meV omega= 34.3110 meV lambda( 3 )= 0.028472 gamma= 0.012633 meV omega= 54.9089 meV lambda( 4 )= 0.023111 gamma= 0.029594 meV omega= 93.2784 meV lambda( 5 )= 0.026061 gamma= 0.034257 meV omega= 94.5085 meV lambda( 6 )= 0.031481 gamma= 0.052254 meV omega= 106.2001 meV lambda( tot )= 0.120840 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 210 coord.: 0.83333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.053630 gamma= 0.004460 meV omega= 23.7710 meV lambda( 2 )= 0.000422 gamma= 0.000065 meV omega= 32.3606 meV lambda( 3 )= 0.000771 gamma= 0.000265 meV omega= 48.3490 meV lambda( 4 )= 0.031640 gamma= 0.041192 meV omega= 94.0538 meV lambda( 5 )= 0.029446 gamma= 0.039651 meV omega= 95.6542 meV lambda( 6 )= 0.026927 gamma= 0.043203 meV omega= 104.4133 meV lambda( tot )= 0.142836 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 211 coord.: 0.83333 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.018142 gamma= 0.001195 meV omega= 21.1579 meV lambda( 2 )= -0.017440 gamma= -0.001342 meV omega= 22.8690 meV lambda( 3 )= 0.018762 gamma= 0.003229 meV omega= 34.1948 meV lambda( 4 )= 0.044450 gamma= 0.058579 meV omega= 94.6291 meV lambda( 5 )= 0.046851 gamma= 0.062311 meV omega= 95.0632 meV lambda( 6 )= 0.082429 gamma= 0.125647 meV omega= 101.7712 meV lambda( tot )= 0.193194 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 212 coord.: 0.83333 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.003349 gamma= 0.000530 meV omega= 32.7964 meV lambda( 2 )= 0.008367 gamma= 0.001450 meV omega= 34.3110 meV lambda( 3 )= 0.028472 gamma= 0.012633 meV omega= 54.9089 meV lambda( 4 )= 0.023111 gamma= 0.029594 meV omega= 93.2784 meV lambda( 5 )= 0.026061 gamma= 0.034257 meV omega= 94.5085 meV lambda( 6 )= 0.031481 gamma= 0.052254 meV omega= 106.2001 meV lambda( tot )= 0.120840 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 213 coord.: 0.83333 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.001424 gamma= 0.000292 meV omega= 37.3447 meV lambda( 2 )= 0.011943 gamma= 0.003174 meV omega= 42.4960 meV lambda( 3 )= 0.023874 gamma= 0.017699 meV omega= 70.9745 meV lambda( 4 )= 0.013205 gamma= 0.016177 meV omega= 91.2372 meV lambda( 5 )= 0.017595 gamma= 0.022304 meV omega= 92.8077 meV lambda( 6 )= 0.009500 gamma= 0.015439 meV omega= 105.0821 meV lambda( tot )= 0.077541 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 214 coord.: 0.83333 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.006748 gamma= 0.001170 meV omega= 34.3301 meV lambda( 2 )= 0.006674 gamma= 0.001804 meV omega= 42.8555 meV lambda( 3 )= 0.029685 gamma= 0.019079 meV omega= 66.0846 meV lambda( 4 )= 0.022339 gamma= 0.027833 meV omega= 92.0109 meV lambda( 5 )= 0.012992 gamma= 0.016779 meV omega= 93.6774 meV lambda( 6 )= 0.014067 gamma= 0.023033 meV omega= 105.4773 meV lambda( tot )= 0.092505 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 215 coord.: 0.83333 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000719 gamma= 0.000062 meV omega= 24.1984 meV lambda( 2 )= 0.012982 gamma= 0.002058 meV omega= 32.8193 meV lambda( 3 )= 0.025745 gamma= 0.008983 meV omega= 48.6902 meV lambda( 4 )= 0.028046 gamma= 0.036290 meV omega= 93.7668 meV lambda( 5 )= 0.022330 gamma= 0.030304 meV omega= 96.0269 meV lambda( 6 )= 0.022804 gamma= 0.036249 meV omega= 103.9283 meV lambda( tot )= 0.112626 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 216 coord.: 0.83333 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.048009 gamma= -0.001843 meV omega= 16.1525 meV lambda( 2 )= -0.030188 gamma= -0.001371 meV omega= 17.5653 meV lambda( 3 )= 0.037737 gamma= 0.006061 meV omega= 33.0342 meV lambda( 4 )= 0.036004 gamma= 0.047011 meV omega= 94.1917 meV lambda( 5 )= 0.037788 gamma= 0.049577 meV omega= 94.4169 meV lambda( 6 )= 0.054485 gamma= 0.081620 meV omega= 100.8906 meV lambda( tot )= 0.087818 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 WARNING: only the eigenstates within the Fermi window are meaningful ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -15.7777 eV Re[Sigma]= -224.143355 meV Im[Sigma]= 57.146972 meV Z= 0.981076 lam= 0.019289 E( 2 )= -0.3992 eV Re[Sigma]= 233.252643 meV Im[Sigma]= 142.527271 meV Z= 0.997329 lam= 0.002678 E( 3 )= -0.3992 eV Re[Sigma]= 235.295494 meV Im[Sigma]= 148.830859 meV Z= 0.999849 lam= 0.000151 E( 4 )= -0.3992 eV Re[Sigma]= 235.043426 meV Im[Sigma]= 148.053182 meV Z= 0.999538 lam= 0.000462 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -15.3226 eV Re[Sigma]= -223.994765 meV Im[Sigma]= 87.928424 meV Z= 0.995273 lam= 0.004750 E( 2 )= -2.2204 eV Re[Sigma]= 101.012721 meV Im[Sigma]= 392.553106 meV Z= 1.122730 lam= -0.109314 E( 3 )= -0.6014 eV Re[Sigma]= 228.974114 meV Im[Sigma]= 178.610042 meV Z= 1.012968 lam= -0.012802 E( 4 )= -0.6014 eV Re[Sigma]= 230.053446 meV Im[Sigma]= 183.399148 meV Z= 1.015074 lam= -0.014850 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.6846 eV Re[Sigma]= -197.664067 meV Im[Sigma]= 180.567037 meV Z= 1.019693 lam= -0.019313 E( 2 )= -6.6106 eV Re[Sigma]= -2.724323 meV Im[Sigma]= 146.306611 meV Z= 0.994023 lam= 0.006013 E( 3 )= -1.2665 eV Re[Sigma]= 189.073589 meV Im[Sigma]= 290.688851 meV Z= 1.068139 lam= -0.063792 E( 4 )= -1.2665 eV Re[Sigma]= 189.562113 meV Im[Sigma]= 295.784609 meV Z= 1.070294 lam= -0.065677 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.4659 eV Re[Sigma]= -158.589753 meV Im[Sigma]= 282.992986 meV Z= 1.080695 lam= -0.074670 E( 2 )= -9.2155 eV Re[Sigma]= 6.730151 meV Im[Sigma]= 63.706855 meV Z= 0.951883 lam= 0.050549 E( 3 )= -1.7294 eV Re[Sigma]= 141.768914 meV Im[Sigma]= 334.151890 meV Z= 1.104961 lam= -0.094991 E( 4 )= -1.7294 eV Re[Sigma]= 140.489140 meV Im[Sigma]= 330.258917 meV Z= 1.102813 lam= -0.093228 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.6846 eV Re[Sigma]= -197.665437 meV Im[Sigma]= 180.562917 meV Z= 1.019690 lam= -0.019310 E( 2 )= -6.6106 eV Re[Sigma]= -2.723387 meV Im[Sigma]= 146.302945 meV Z= 0.994022 lam= 0.006014 E( 3 )= -1.2665 eV Re[Sigma]= 189.423400 meV Im[Sigma]= 294.356151 meV Z= 1.069689 lam= -0.065149 E( 4 )= -1.2665 eV Re[Sigma]= 189.210686 meV Im[Sigma]= 292.133138 meV Z= 1.068749 lam= -0.064327 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -15.3226 eV Re[Sigma]= -223.995069 meV Im[Sigma]= 87.927671 meV Z= 0.995272 lam= 0.004750 E( 2 )= -2.2204 eV Re[Sigma]= 101.015476 meV Im[Sigma]= 392.538687 meV Z= 1.122723 lam= -0.109308 E( 3 )= -0.6014 eV Re[Sigma]= 228.555872 meV Im[Sigma]= 176.749997 meV Z= 1.012151 lam= -0.012006 E( 4 )= -0.6014 eV Re[Sigma]= 230.475600 meV Im[Sigma]= 185.271697 meV Z= 1.015900 lam= -0.015651 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -15.3226 eV Re[Sigma]= -222.795395 meV Im[Sigma]= 87.814362 meV Z= 0.995607 lam= 0.004413 E( 2 )= -2.2204 eV Re[Sigma]= 99.719048 meV Im[Sigma]= 391.351051 meV Z= 1.121642 lam= -0.108450 E( 3 )= -0.6014 eV Re[Sigma]= 229.271814 meV Im[Sigma]= 183.981249 meV Z= 1.015654 lam= -0.015412 E( 4 )= -0.6014 eV Re[Sigma]= 229.271805 meV Im[Sigma]= 183.981235 meV Z= 1.015654 lam= -0.015412 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -15.1744 eV Re[Sigma]= -223.338999 meV Im[Sigma]= 97.845807 meV Z= 0.995803 lam= 0.004215 E( 2 )= -1.7543 eV Re[Sigma]= 153.771584 meV Im[Sigma]= 380.345262 meV Z= 1.124384 lam= -0.110624 E( 3 )= -1.1893 eV Re[Sigma]= 203.659038 meV Im[Sigma]= 289.463351 meV Z= 1.063260 lam= -0.059496 E( 4 )= -1.1893 eV Re[Sigma]= 203.591828 meV Im[Sigma]= 288.495600 meV Z= 1.063014 lam= -0.059278 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.758902 meV Im[Sigma]= 178.950420 meV Z= 1.026313 lam= -0.025639 E( 2 )= -5.0893 eV Re[Sigma]= -20.996805 meV Im[Sigma]= 196.990714 meV Z= 1.025595 lam= -0.024956 E( 3 )= -1.9911 eV Re[Sigma]= 123.360288 meV Im[Sigma]= 356.029135 meV Z= 1.113998 lam= -0.102332 E( 4 )= -1.7453 eV Re[Sigma]= 148.676140 meV Im[Sigma]= 348.111801 meV Z= 1.109260 lam= -0.098498 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -136.425385 meV Im[Sigma]= 299.486746 meV Z= 1.079308 lam= -0.073480 E( 2 )= -8.4181 eV Re[Sigma]= -25.264084 meV Im[Sigma]= 148.073210 meV Z= 1.003430 lam= -0.003418 E( 3 )= -2.9817 eV Re[Sigma]= 42.138981 meV Im[Sigma]= 293.346637 meV Z= 1.061021 lam= -0.057511 E( 4 )= -2.2693 eV Re[Sigma]= 91.513558 meV Im[Sigma]= 333.287046 meV Z= 1.098073 lam= -0.089314 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.074041 meV Im[Sigma]= 268.831200 meV Z= 1.066516 lam= -0.062368 E( 2 )= -7.5294 eV Re[Sigma]= -12.455278 meV Im[Sigma]= 206.038545 meV Z= 1.049751 lam= -0.047393 E( 3 )= -3.4617 eV Re[Sigma]= 23.567947 meV Im[Sigma]= 242.557594 meV Z= 1.036926 lam= -0.035611 E( 4 )= -1.4850 eV Re[Sigma]= 166.751299 meV Im[Sigma]= 318.687379 meV Z= 1.089100 lam= -0.081811 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -14.3745 eV Re[Sigma]= -215.952060 meV Im[Sigma]= 147.988256 meV Z= 1.009036 lam= -0.008955 E( 2 )= -4.0806 eV Re[Sigma]= -9.982220 meV Im[Sigma]= 242.986618 meV Z= 1.019647 lam= -0.019268 E( 3 )= -2.2746 eV Re[Sigma]= 97.297417 meV Im[Sigma]= 350.701696 meV Z= 1.103681 lam= -0.093941 E( 4 )= -0.6189 eV Re[Sigma]= 224.007052 meV Im[Sigma]= 185.539378 meV Z= 1.017490 lam= -0.017189 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -13.6846 eV Re[Sigma]= -195.560637 meV Im[Sigma]= 177.007376 meV Z= 1.018973 lam= -0.018620 E( 2 )= -6.6106 eV Re[Sigma]= -3.750130 meV Im[Sigma]= 141.610197 meV Z= 0.993139 lam= 0.006908 E( 3 )= -1.2665 eV Re[Sigma]= 189.380109 meV Im[Sigma]= 294.931646 meV Z= 1.069440 lam= -0.064931 E( 4 )= -1.2665 eV Re[Sigma]= 189.380107 meV Im[Sigma]= 294.931654 meV Z= 1.069440 lam= -0.064931 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -201.047791 meV Im[Sigma]= 175.366367 meV Z= 1.024655 lam= -0.024062 E( 2 )= -5.0893 eV Re[Sigma]= -22.701336 meV Im[Sigma]= 195.269407 meV Z= 1.024937 lam= -0.024330 E( 3 )= -1.9911 eV Re[Sigma]= 122.869365 meV Im[Sigma]= 360.044151 meV Z= 1.116201 lam= -0.104104 E( 4 )= -1.7453 eV Re[Sigma]= 147.323058 meV Im[Sigma]= 350.520762 meV Z= 1.110207 lam= -0.099267 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.9694 eV Re[Sigma]= -183.021101 meV Im[Sigma]= 231.203229 meV Z= 1.023297 lam= -0.022766 E( 2 )= -5.4186 eV Re[Sigma]= -25.458262 meV Im[Sigma]= 176.200670 meV Z= 1.011245 lam= -0.011120 E( 3 )= -3.0665 eV Re[Sigma]= 38.706070 meV Im[Sigma]= 275.876423 meV Z= 1.056281 lam= -0.053283 E( 4 )= -3.0665 eV Re[Sigma]= 37.009717 meV Im[Sigma]= 275.446761 meV Z= 1.056093 lam= -0.053113 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -92.799676 meV Im[Sigma]= 271.297239 meV Z= 1.051155 lam= -0.048665 E( 2 )= -7.3701 eV Re[Sigma]= -18.849248 meV Im[Sigma]= 192.528738 meV Z= 1.037384 lam= -0.036037 E( 3 )= -4.6413 eV Re[Sigma]= 14.838638 meV Im[Sigma]= 178.852502 meV Z= 1.019823 lam= -0.019438 E( 4 )= -3.4814 eV Re[Sigma]= 26.579218 meV Im[Sigma]= 225.182923 meV Z= 1.033329 lam= -0.032254 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.0219 eV Re[Sigma]= -83.048815 meV Im[Sigma]= 240.236673 meV Z= 1.046970 lam= -0.044863 E( 2 )= -7.4953 eV Re[Sigma]= -31.975748 meV Im[Sigma]= 215.027853 meV Z= 1.052400 lam= -0.049791 E( 3 )= -6.1421 eV Re[Sigma]= 34.445556 meV Im[Sigma]= 126.238324 meV Z= 0.986426 lam= 0.013760 E( 4 )= -2.6245 eV Re[Sigma]= 63.260287 meV Im[Sigma]= 314.818032 meV Z= 1.073810 lam= -0.068737 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -170.877868 meV Im[Sigma]= 263.993036 meV Z= 1.064098 lam= -0.060237 E( 2 )= -7.5294 eV Re[Sigma]= -10.788914 meV Im[Sigma]= 199.124704 meV Z= 1.047637 lam= -0.045471 E( 3 )= -3.4617 eV Re[Sigma]= 25.270053 meV Im[Sigma]= 246.341760 meV Z= 1.037337 lam= -0.035994 E( 4 )= -1.4850 eV Re[Sigma]= 167.274831 meV Im[Sigma]= 322.676225 meV Z= 1.090636 lam= -0.083104 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.4659 eV Re[Sigma]= -157.153942 meV Im[Sigma]= 271.551715 meV Z= 1.074256 lam= -0.069123 E( 2 )= -9.2155 eV Re[Sigma]= 9.578432 meV Im[Sigma]= 61.415049 meV Z= 0.952624 lam= 0.049732 E( 3 )= -1.7294 eV Re[Sigma]= 140.978732 meV Im[Sigma]= 331.149913 meV Z= 1.103787 lam= -0.094028 E( 4 )= -1.7294 eV Re[Sigma]= 140.978735 meV Im[Sigma]= 331.149915 meV Z= 1.103787 lam= -0.094028 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -136.930330 meV Im[Sigma]= 289.843511 meV Z= 1.074753 lam= -0.069553 E( 2 )= -8.4181 eV Re[Sigma]= -24.131233 meV Im[Sigma]= 141.910139 meV Z= 1.001587 lam= -0.001585 E( 3 )= -2.9817 eV Re[Sigma]= 41.422033 meV Im[Sigma]= 292.831537 meV Z= 1.060071 lam= -0.056667 E( 4 )= -2.2693 eV Re[Sigma]= 91.268365 meV Im[Sigma]= 336.776076 meV Z= 1.099796 lam= -0.090741 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.900144 meV Im[Sigma]= 267.548589 meV Z= 1.049752 lam= -0.047394 E( 2 )= -7.3701 eV Re[Sigma]= -18.456770 meV Im[Sigma]= 188.748102 meV Z= 1.036062 lam= -0.034807 E( 3 )= -4.6413 eV Re[Sigma]= 16.532232 meV Im[Sigma]= 177.586217 meV Z= 1.019031 lam= -0.018676 E( 4 )= -3.4814 eV Re[Sigma]= 27.736979 meV Im[Sigma]= 225.006883 meV Z= 1.032040 lam= -0.031045 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.1466 eV Re[Sigma]= -67.000033 meV Im[Sigma]= 238.932326 meV Z= 1.048293 lam= -0.046068 E( 2 )= -7.9488 eV Re[Sigma]= -29.284936 meV Im[Sigma]= 175.806647 meV Z= 1.030884 lam= -0.029959 E( 3 )= -4.1536 eV Re[Sigma]= 21.023440 meV Im[Sigma]= 172.936354 meV Z= 1.009677 lam= -0.009584 E( 4 )= -4.1536 eV Re[Sigma]= 23.215139 meV Im[Sigma]= 175.921036 meV Z= 1.009921 lam= -0.009823 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.900850 meV Im[Sigma]= 267.548273 meV Z= 1.049752 lam= -0.047394 E( 2 )= -7.3701 eV Re[Sigma]= -18.457047 meV Im[Sigma]= 188.745814 meV Z= 1.036061 lam= -0.034806 E( 3 )= -4.6413 eV Re[Sigma]= 16.532664 meV Im[Sigma]= 177.585133 meV Z= 1.019031 lam= -0.018676 E( 4 )= -3.4814 eV Re[Sigma]= 27.734071 meV Im[Sigma]= 225.003687 meV Z= 1.032037 lam= -0.031043 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -136.933021 meV Im[Sigma]= 289.841959 meV Z= 1.074751 lam= -0.069552 E( 2 )= -8.4181 eV Re[Sigma]= -24.130076 meV Im[Sigma]= 141.908595 meV Z= 1.001587 lam= -0.001585 E( 3 )= -2.9817 eV Re[Sigma]= 41.420050 meV Im[Sigma]= 292.830712 meV Z= 1.060071 lam= -0.056667 E( 4 )= -2.2693 eV Re[Sigma]= 91.265307 meV Im[Sigma]= 336.778890 meV Z= 1.099798 lam= -0.090742 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -13.6846 eV Re[Sigma]= -195.561517 meV Im[Sigma]= 177.003803 meV Z= 1.018971 lam= -0.018618 E( 2 )= -6.6106 eV Re[Sigma]= -3.748178 meV Im[Sigma]= 141.606984 meV Z= 0.993139 lam= 0.006909 E( 3 )= -1.2665 eV Re[Sigma]= 189.378237 meV Im[Sigma]= 294.939594 meV Z= 1.069444 lam= -0.064934 E( 4 )= -1.2665 eV Re[Sigma]= 189.378234 meV Im[Sigma]= 294.939588 meV Z= 1.069443 lam= -0.064934 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -170.880109 meV Im[Sigma]= 263.991294 meV Z= 1.064097 lam= -0.060236 E( 2 )= -7.5294 eV Re[Sigma]= -10.787799 meV Im[Sigma]= 199.120423 meV Z= 1.047635 lam= -0.045469 E( 3 )= -3.4617 eV Re[Sigma]= 25.268727 meV Im[Sigma]= 246.339547 meV Z= 1.037336 lam= -0.035992 E( 4 )= -1.4850 eV Re[Sigma]= 167.273738 meV Im[Sigma]= 322.677936 meV Z= 1.090637 lam= -0.083105 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.0219 eV Re[Sigma]= -83.048384 meV Im[Sigma]= 240.238297 meV Z= 1.046971 lam= -0.044863 E( 2 )= -7.4953 eV Re[Sigma]= -31.976458 meV Im[Sigma]= 215.030757 meV Z= 1.052401 lam= -0.049792 E( 3 )= -6.1421 eV Re[Sigma]= 34.445232 meV Im[Sigma]= 126.238320 meV Z= 0.986426 lam= 0.013760 E( 4 )= -2.6245 eV Re[Sigma]= 63.260767 meV Im[Sigma]= 314.818520 meV Z= 1.073810 lam= -0.068737 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -92.801575 meV Im[Sigma]= 271.297954 meV Z= 1.051155 lam= -0.048665 E( 2 )= -7.3701 eV Re[Sigma]= -18.847915 meV Im[Sigma]= 192.531197 meV Z= 1.037386 lam= -0.036039 E( 3 )= -4.6413 eV Re[Sigma]= 14.839088 meV Im[Sigma]= 178.847315 meV Z= 1.019821 lam= -0.019436 E( 4 )= -3.4814 eV Re[Sigma]= 26.577216 meV Im[Sigma]= 225.178433 meV Z= 1.033326 lam= -0.032251 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.9694 eV Re[Sigma]= -183.021687 meV Im[Sigma]= 231.201525 meV Z= 1.023296 lam= -0.022766 E( 2 )= -5.4186 eV Re[Sigma]= -25.458286 meV Im[Sigma]= 176.201595 meV Z= 1.011246 lam= -0.011121 E( 3 )= -3.0665 eV Re[Sigma]= 37.641915 meV Im[Sigma]= 275.604621 meV Z= 1.056162 lam= -0.053176 E( 4 )= -3.0665 eV Re[Sigma]= 38.073130 meV Im[Sigma]= 275.714591 meV Z= 1.056210 lam= -0.053219 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -201.047615 meV Im[Sigma]= 175.365243 meV Z= 1.024655 lam= -0.024062 E( 2 )= -5.0893 eV Re[Sigma]= -22.699635 meV Im[Sigma]= 195.269713 meV Z= 1.024937 lam= -0.024331 E( 3 )= -1.9911 eV Re[Sigma]= 122.864451 meV Im[Sigma]= 360.052824 meV Z= 1.116205 lam= -0.104107 E( 4 )= -1.7453 eV Re[Sigma]= 147.322640 meV Im[Sigma]= 350.522792 meV Z= 1.110209 lam= -0.099269 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -15.3226 eV Re[Sigma]= -222.794939 meV Im[Sigma]= 87.815493 meV Z= 0.995607 lam= 0.004412 E( 2 )= -2.2204 eV Re[Sigma]= 99.721608 meV Im[Sigma]= 391.330889 meV Z= 1.121632 lam= -0.108442 E( 3 )= -0.6014 eV Re[Sigma]= 229.273214 meV Im[Sigma]= 183.987028 meV Z= 1.015656 lam= -0.015415 E( 4 )= -0.6014 eV Re[Sigma]= 229.273204 meV Im[Sigma]= 183.987016 meV Z= 1.015656 lam= -0.015415 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -14.3745 eV Re[Sigma]= -215.951253 meV Im[Sigma]= 147.988255 meV Z= 1.009036 lam= -0.008955 E( 2 )= -4.0806 eV Re[Sigma]= -9.980454 meV Im[Sigma]= 242.986588 meV Z= 1.019647 lam= -0.019269 E( 3 )= -2.2746 eV Re[Sigma]= 97.297435 meV Im[Sigma]= 350.698383 meV Z= 1.103679 lam= -0.093939 E( 4 )= -0.6189 eV Re[Sigma]= 224.006823 meV Im[Sigma]= 185.539226 meV Z= 1.017490 lam= -0.017189 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.072768 meV Im[Sigma]= 268.832808 meV Z= 1.066517 lam= -0.062369 E( 2 )= -7.5294 eV Re[Sigma]= -12.457073 meV Im[Sigma]= 206.042175 meV Z= 1.049753 lam= -0.047395 E( 3 )= -3.4617 eV Re[Sigma]= 23.571215 meV Im[Sigma]= 242.558533 meV Z= 1.036928 lam= -0.035612 E( 4 )= -1.4850 eV Re[Sigma]= 166.752809 meV Im[Sigma]= 318.683764 meV Z= 1.089097 lam= -0.081808 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -136.428857 meV Im[Sigma]= 299.485558 meV Z= 1.079306 lam= -0.073479 E( 2 )= -8.4181 eV Re[Sigma]= -25.263285 meV Im[Sigma]= 148.073286 meV Z= 1.003431 lam= -0.003419 E( 3 )= -2.9817 eV Re[Sigma]= 42.140544 meV Im[Sigma]= 293.346267 meV Z= 1.061021 lam= -0.057512 E( 4 )= -2.2693 eV Re[Sigma]= 91.512389 meV Im[Sigma]= 333.287710 meV Z= 1.098073 lam= -0.089314 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.759485 meV Im[Sigma]= 178.946942 meV Z= 1.026311 lam= -0.025637 E( 2 )= -5.0893 eV Re[Sigma]= -20.996421 meV Im[Sigma]= 196.990307 meV Z= 1.025595 lam= -0.024956 E( 3 )= -1.9911 eV Re[Sigma]= 123.357110 meV Im[Sigma]= 356.038123 meV Z= 1.114002 lam= -0.102336 E( 4 )= -1.7453 eV Re[Sigma]= 148.676567 meV Im[Sigma]= 348.111888 meV Z= 1.109262 lam= -0.098499 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -15.1744 eV Re[Sigma]= -223.338361 meV Im[Sigma]= 97.846614 meV Z= 0.995804 lam= 0.004214 E( 2 )= -1.7543 eV Re[Sigma]= 153.771153 meV Im[Sigma]= 380.345416 meV Z= 1.124384 lam= -0.110624 E( 3 )= -1.1893 eV Re[Sigma]= 203.606431 meV Im[Sigma]= 288.712266 meV Z= 1.063068 lam= -0.059326 E( 4 )= -1.1893 eV Re[Sigma]= 203.643385 meV Im[Sigma]= 289.243092 meV Z= 1.063204 lam= -0.059447 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -15.3226 eV Re[Sigma]= -223.994770 meV Im[Sigma]= 87.928419 meV Z= 0.995273 lam= 0.004750 E( 2 )= -2.2204 eV Re[Sigma]= 101.012723 meV Im[Sigma]= 392.553132 meV Z= 1.122730 lam= -0.109314 E( 3 )= -0.6014 eV Re[Sigma]= 228.741261 meV Im[Sigma]= 177.576873 meV Z= 1.012515 lam= -0.012360 E( 4 )= -0.6014 eV Re[Sigma]= 230.286299 meV Im[Sigma]= 184.432316 meV Z= 1.015529 lam= -0.015292 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -15.1744 eV Re[Sigma]= -223.338365 meV Im[Sigma]= 97.846613 meV Z= 0.995804 lam= 0.004214 E( 2 )= -1.7543 eV Re[Sigma]= 153.771140 meV Im[Sigma]= 380.345370 meV Z= 1.124384 lam= -0.110624 E( 3 )= -1.1893 eV Re[Sigma]= 203.599931 meV Im[Sigma]= 288.618626 meV Z= 1.063044 lam= -0.059305 E( 4 )= -1.1893 eV Re[Sigma]= 203.649898 meV Im[Sigma]= 289.336753 meV Z= 1.063228 lam= -0.059468 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.040425 meV Im[Sigma]= 177.313933 meV Z= 1.025202 lam= -0.024582 E( 2 )= -5.0893 eV Re[Sigma]= -21.021298 meV Im[Sigma]= 199.330071 meV Z= 1.025964 lam= -0.025307 E( 3 )= -1.9911 eV Re[Sigma]= 123.056428 meV Im[Sigma]= 357.683936 meV Z= 1.114813 lam= -0.102989 E( 4 )= -1.7453 eV Re[Sigma]= 147.804710 meV Im[Sigma]= 350.590117 meV Z= 1.110133 lam= -0.099207 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -137.287229 meV Im[Sigma]= 298.338739 meV Z= 1.078729 lam= -0.072983 E( 2 )= -8.4181 eV Re[Sigma]= -27.519579 meV Im[Sigma]= 148.144780 meV Z= 1.002908 lam= -0.002899 E( 3 )= -2.9817 eV Re[Sigma]= 42.213443 meV Im[Sigma]= 291.976775 meV Z= 1.060462 lam= -0.057015 E( 4 )= -2.2693 eV Re[Sigma]= 89.524387 meV Im[Sigma]= 336.557554 meV Z= 1.099953 lam= -0.090870 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.482531 meV Im[Sigma]= 272.237868 meV Z= 1.067671 lam= -0.063382 E( 2 )= -7.5294 eV Re[Sigma]= -10.662599 meV Im[Sigma]= 204.783545 meV Z= 1.049226 lam= -0.046916 E( 3 )= -3.4617 eV Re[Sigma]= 26.230711 meV Im[Sigma]= 244.745893 meV Z= 1.037373 lam= -0.036027 E( 4 )= -1.4850 eV Re[Sigma]= 167.813124 meV Im[Sigma]= 320.508674 meV Z= 1.089642 lam= -0.082267 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -14.3745 eV Re[Sigma]= -217.811599 meV Im[Sigma]= 150.895633 meV Z= 1.010167 lam= -0.010065 E( 2 )= -4.0806 eV Re[Sigma]= -7.445258 meV Im[Sigma]= 243.590147 meV Z= 1.019500 lam= -0.019127 E( 3 )= -2.2746 eV Re[Sigma]= 96.587833 meV Im[Sigma]= 352.914965 meV Z= 1.105509 lam= -0.095439 E( 4 )= -0.6189 eV Re[Sigma]= 224.316370 meV Im[Sigma]= 182.009614 meV Z= 1.015446 lam= -0.015211 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -15.1744 eV Re[Sigma]= -223.339003 meV Im[Sigma]= 97.845803 meV Z= 0.995803 lam= 0.004215 E( 2 )= -1.7543 eV Re[Sigma]= 153.771587 meV Im[Sigma]= 380.345255 meV Z= 1.124384 lam= -0.110624 E( 3 )= -1.1893 eV Re[Sigma]= 203.601441 meV Im[Sigma]= 288.633843 meV Z= 1.063049 lam= -0.059309 E( 4 )= -1.1893 eV Re[Sigma]= 203.649425 meV Im[Sigma]= 289.325110 meV Z= 1.063225 lam= -0.059465 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -15.3226 eV Re[Sigma]= -223.995071 meV Im[Sigma]= 87.927669 meV Z= 0.995272 lam= 0.004750 E( 2 )= -2.2204 eV Re[Sigma]= 101.015471 meV Im[Sigma]= 392.538719 meV Z= 1.122723 lam= -0.109308 E( 3 )= -0.6014 eV Re[Sigma]= 229.806486 meV Im[Sigma]= 182.301527 meV Z= 1.014590 lam= -0.014380 E( 4 )= -0.6014 eV Re[Sigma]= 229.224988 meV Im[Sigma]= 179.720164 meV Z= 1.013455 lam= -0.013276 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -14.3745 eV Re[Sigma]= -217.811597 meV Im[Sigma]= 150.895636 meV Z= 1.010167 lam= -0.010065 E( 2 )= -4.0806 eV Re[Sigma]= -7.445259 meV Im[Sigma]= 243.590149 meV Z= 1.019500 lam= -0.019127 E( 3 )= -2.2746 eV Re[Sigma]= 96.587836 meV Im[Sigma]= 352.914978 meV Z= 1.105509 lam= -0.095439 E( 4 )= -0.6189 eV Re[Sigma]= 224.316360 meV Im[Sigma]= 182.009610 meV Z= 1.015446 lam= -0.015211 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.480161 meV Im[Sigma]= 272.239890 meV Z= 1.067673 lam= -0.063383 E( 2 )= -7.5294 eV Re[Sigma]= -10.664013 meV Im[Sigma]= 204.786698 meV Z= 1.049226 lam= -0.046917 E( 3 )= -3.4617 eV Re[Sigma]= 26.230810 meV Im[Sigma]= 244.745437 meV Z= 1.037374 lam= -0.036027 E( 4 )= -1.4850 eV Re[Sigma]= 167.813526 meV Im[Sigma]= 320.508159 meV Z= 1.089641 lam= -0.082267 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -137.289532 meV Im[Sigma]= 298.336481 meV Z= 1.078727 lam= -0.072981 E( 2 )= -8.4181 eV Re[Sigma]= -27.519173 meV Im[Sigma]= 148.145761 meV Z= 1.002909 lam= -0.002901 E( 3 )= -2.9817 eV Re[Sigma]= 42.210542 meV Im[Sigma]= 291.975123 meV Z= 1.060462 lam= -0.057014 E( 4 )= -2.2693 eV Re[Sigma]= 89.521809 meV Im[Sigma]= 336.561556 meV Z= 1.099955 lam= -0.090872 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.040966 meV Im[Sigma]= 177.314156 meV Z= 1.025202 lam= -0.024583 E( 2 )= -5.0893 eV Re[Sigma]= -21.021317 meV Im[Sigma]= 199.329944 meV Z= 1.025964 lam= -0.025307 E( 3 )= -1.9911 eV Re[Sigma]= 123.052814 meV Im[Sigma]= 357.696690 meV Z= 1.114819 lam= -0.102994 E( 4 )= -1.7453 eV Re[Sigma]= 147.803784 meV Im[Sigma]= 350.593941 meV Z= 1.110136 lam= -0.099209 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -201.047795 meV Im[Sigma]= 175.366363 meV Z= 1.024655 lam= -0.024062 E( 2 )= -5.0893 eV Re[Sigma]= -22.701346 meV Im[Sigma]= 195.269416 meV Z= 1.024937 lam= -0.024330 E( 3 )= -1.9911 eV Re[Sigma]= 122.869360 meV Im[Sigma]= 360.044121 meV Z= 1.116201 lam= -0.104104 E( 4 )= -1.7453 eV Re[Sigma]= 147.323051 meV Im[Sigma]= 350.520754 meV Z= 1.110207 lam= -0.099267 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -14.3745 eV Re[Sigma]= -215.952056 meV Im[Sigma]= 147.988253 meV Z= 1.009036 lam= -0.008955 E( 2 )= -4.0806 eV Re[Sigma]= -9.982224 meV Im[Sigma]= 242.986628 meV Z= 1.019647 lam= -0.019268 E( 3 )= -2.2746 eV Re[Sigma]= 97.297424 meV Im[Sigma]= 350.701715 meV Z= 1.103681 lam= -0.093941 E( 4 )= -0.6189 eV Re[Sigma]= 224.007048 meV Im[Sigma]= 185.539376 meV Z= 1.017490 lam= -0.017189 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.040957 meV Im[Sigma]= 177.314158 meV Z= 1.025202 lam= -0.024583 E( 2 )= -5.0893 eV Re[Sigma]= -21.021315 meV Im[Sigma]= 199.329941 meV Z= 1.025964 lam= -0.025307 E( 3 )= -1.9911 eV Re[Sigma]= 123.052816 meV Im[Sigma]= 357.696685 meV Z= 1.114819 lam= -0.102994 E( 4 )= -1.7453 eV Re[Sigma]= 147.803791 meV Im[Sigma]= 350.593969 meV Z= 1.110136 lam= -0.099209 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.936002 meV Im[Sigma]= 290.137958 meV Z= 1.081655 lam= -0.075491 E( 2 )= -6.5385 eV Re[Sigma]= -18.086309 meV Im[Sigma]= 150.055796 meV Z= 0.995071 lam= 0.004953 E( 3 )= -4.4503 eV Re[Sigma]= 15.823301 meV Im[Sigma]= 188.967809 meV Z= 1.019061 lam= -0.018705 E( 4 )= -2.3570 eV Re[Sigma]= 83.419365 meV Im[Sigma]= 335.161493 meV Z= 1.094810 lam= -0.086599 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -82.876399 meV Im[Sigma]= 234.983236 meV Z= 1.043560 lam= -0.041742 E( 2 )= -7.9088 eV Re[Sigma]= -29.901998 meV Im[Sigma]= 203.481045 meV Z= 1.045547 lam= -0.043562 E( 3 )= -5.2372 eV Re[Sigma]= -1.649994 meV Im[Sigma]= 171.160128 meV Z= 1.016844 lam= -0.016565 E( 4 )= -3.1301 eV Re[Sigma]= 42.009715 meV Im[Sigma]= 255.809016 meV Z= 1.049064 lam= -0.046769 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.295140 meV Im[Sigma]= 285.686821 meV Z= 1.079969 lam= -0.074047 E( 2 )= -6.5385 eV Re[Sigma]= -20.061120 meV Im[Sigma]= 148.203091 meV Z= 0.994395 lam= 0.005637 E( 3 )= -4.4503 eV Re[Sigma]= 16.428886 meV Im[Sigma]= 187.980619 meV Z= 1.018538 lam= -0.018201 E( 4 )= -2.3570 eV Re[Sigma]= 82.932349 meV Im[Sigma]= 337.072912 meV Z= 1.095467 lam= -0.087148 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -136.930340 meV Im[Sigma]= 289.843507 meV Z= 1.074753 lam= -0.069553 E( 2 )= -8.4181 eV Re[Sigma]= -24.131244 meV Im[Sigma]= 141.910142 meV Z= 1.001587 lam= -0.001585 E( 3 )= -2.9817 eV Re[Sigma]= 41.422028 meV Im[Sigma]= 292.831530 meV Z= 1.060071 lam= -0.056667 E( 4 )= -2.2693 eV Re[Sigma]= 91.268361 meV Im[Sigma]= 336.776055 meV Z= 1.099796 lam= -0.090741 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -170.877864 meV Im[Sigma]= 263.993031 meV Z= 1.064098 lam= -0.060237 E( 2 )= -7.5294 eV Re[Sigma]= -10.788912 meV Im[Sigma]= 199.124707 meV Z= 1.047637 lam= -0.045471 E( 3 )= -3.4617 eV Re[Sigma]= 25.270053 meV Im[Sigma]= 246.341773 meV Z= 1.037337 lam= -0.035994 E( 4 )= -1.4850 eV Re[Sigma]= 167.274829 meV Im[Sigma]= 322.676217 meV Z= 1.090636 lam= -0.083104 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.295127 meV Im[Sigma]= 285.686820 meV Z= 1.079969 lam= -0.074047 E( 2 )= -6.5385 eV Re[Sigma]= -20.061117 meV Im[Sigma]= 148.203095 meV Z= 0.994395 lam= 0.005637 E( 3 )= -4.4503 eV Re[Sigma]= 16.428891 meV Im[Sigma]= 187.980630 meV Z= 1.018538 lam= -0.018201 E( 4 )= -2.3570 eV Re[Sigma]= 82.932355 meV Im[Sigma]= 337.072928 meV Z= 1.095467 lam= -0.087148 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.252530 meV Im[Sigma]= 270.913490 meV Z= 1.050657 lam= -0.048214 E( 2 )= -7.3701 eV Re[Sigma]= -20.053835 meV Im[Sigma]= 193.370194 meV Z= 1.037394 lam= -0.036046 E( 3 )= -4.6413 eV Re[Sigma]= 15.374323 meV Im[Sigma]= 179.514875 meV Z= 1.019696 lam= -0.019316 E( 4 )= -3.4814 eV Re[Sigma]= 24.492471 meV Im[Sigma]= 222.498629 meV Z= 1.031845 lam= -0.030862 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -10.5169 eV Re[Sigma]= -75.214221 meV Im[Sigma]= 154.376475 meV Z= 0.986409 lam= 0.013778 E( 2 )= -7.6803 eV Re[Sigma]= -41.060601 meV Im[Sigma]= 191.377510 meV Z= 1.045113 lam= -0.043165 E( 3 )= -5.4004 eV Re[Sigma]= 4.491039 meV Im[Sigma]= 147.532368 meV Z= 1.005100 lam= -0.005074 E( 4 )= -4.2518 eV Re[Sigma]= 34.361294 meV Im[Sigma]= 176.002036 meV Z= 1.013549 lam= -0.013368 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -85.520172 meV Im[Sigma]= 230.829701 meV Z= 1.041874 lam= -0.040191 E( 2 )= -7.9088 eV Re[Sigma]= -30.312288 meV Im[Sigma]= 196.830111 meV Z= 1.043062 lam= -0.041285 E( 3 )= -5.2372 eV Re[Sigma]= -2.479827 meV Im[Sigma]= 169.158488 meV Z= 1.015382 lam= -0.015149 E( 4 )= -3.1301 eV Re[Sigma]= 42.907592 meV Im[Sigma]= 257.592451 meV Z= 1.048651 lam= -0.046394 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -170.880113 meV Im[Sigma]= 263.991293 meV Z= 1.064097 lam= -0.060236 E( 2 )= -7.5294 eV Re[Sigma]= -10.787791 meV Im[Sigma]= 199.120419 meV Z= 1.047635 lam= -0.045469 E( 3 )= -3.4617 eV Re[Sigma]= 25.268729 meV Im[Sigma]= 246.339541 meV Z= 1.037336 lam= -0.035992 E( 4 )= -1.4850 eV Re[Sigma]= 167.273735 meV Im[Sigma]= 322.677928 meV Z= 1.090637 lam= -0.083105 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -136.933025 meV Im[Sigma]= 289.841954 meV Z= 1.074751 lam= -0.069552 E( 2 )= -8.4181 eV Re[Sigma]= -24.130062 meV Im[Sigma]= 141.908591 meV Z= 1.001587 lam= -0.001585 E( 3 )= -2.9817 eV Re[Sigma]= 41.420052 meV Im[Sigma]= 292.830720 meV Z= 1.060071 lam= -0.056667 E( 4 )= -2.2693 eV Re[Sigma]= 91.265313 meV Im[Sigma]= 336.778893 meV Z= 1.099798 lam= -0.090742 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -85.520178 meV Im[Sigma]= 230.829696 meV Z= 1.041874 lam= -0.040191 E( 2 )= -7.9088 eV Re[Sigma]= -30.312286 meV Im[Sigma]= 196.830116 meV Z= 1.043062 lam= -0.041285 E( 3 )= -5.2372 eV Re[Sigma]= -2.479823 meV Im[Sigma]= 169.158484 meV Z= 1.015382 lam= -0.015149 E( 4 )= -3.1301 eV Re[Sigma]= 42.907596 meV Im[Sigma]= 257.592474 meV Z= 1.048651 lam= -0.046394 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -10.5169 eV Re[Sigma]= -75.214561 meV Im[Sigma]= 154.376940 meV Z= 0.986409 lam= 0.013778 E( 2 )= -7.6803 eV Re[Sigma]= -41.060161 meV Im[Sigma]= 191.379662 meV Z= 1.045114 lam= -0.043167 E( 3 )= -5.4004 eV Re[Sigma]= 4.491411 meV Im[Sigma]= 147.531200 meV Z= 1.005099 lam= -0.005074 E( 4 )= -4.2518 eV Re[Sigma]= 34.361178 meV Im[Sigma]= 176.000187 meV Z= 1.013549 lam= -0.013367 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.252163 meV Im[Sigma]= 270.914696 meV Z= 1.050657 lam= -0.048215 E( 2 )= -7.3701 eV Re[Sigma]= -20.055316 meV Im[Sigma]= 193.370002 meV Z= 1.037394 lam= -0.036046 E( 3 )= -4.6413 eV Re[Sigma]= 15.374419 meV Im[Sigma]= 179.516968 meV Z= 1.019697 lam= -0.019317 E( 4 )= -3.4814 eV Re[Sigma]= 24.494235 meV Im[Sigma]= 222.499582 meV Z= 1.031846 lam= -0.030863 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.295577 meV Im[Sigma]= 285.686629 meV Z= 1.079968 lam= -0.074047 E( 2 )= -6.5385 eV Re[Sigma]= -20.061606 meV Im[Sigma]= 148.203861 meV Z= 0.994395 lam= 0.005637 E( 3 )= -4.4503 eV Re[Sigma]= 16.429430 meV Im[Sigma]= 187.979603 meV Z= 1.018538 lam= -0.018201 E( 4 )= -2.3570 eV Re[Sigma]= 82.933221 meV Im[Sigma]= 337.073374 meV Z= 1.095468 lam= -0.087148 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -14.3745 eV Re[Sigma]= -215.951256 meV Im[Sigma]= 147.988252 meV Z= 1.009036 lam= -0.008955 E( 2 )= -4.0806 eV Re[Sigma]= -9.980458 meV Im[Sigma]= 242.986588 meV Z= 1.019647 lam= -0.019269 E( 3 )= -2.2746 eV Re[Sigma]= 97.297436 meV Im[Sigma]= 350.698367 meV Z= 1.103679 lam= -0.093939 E( 4 )= -0.6189 eV Re[Sigma]= 224.006825 meV Im[Sigma]= 185.539227 meV Z= 1.017490 lam= -0.017189 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -201.047619 meV Im[Sigma]= 175.365245 meV Z= 1.024655 lam= -0.024062 E( 2 )= -5.0893 eV Re[Sigma]= -22.699637 meV Im[Sigma]= 195.269706 meV Z= 1.024937 lam= -0.024331 E( 3 )= -1.9911 eV Re[Sigma]= 122.864459 meV Im[Sigma]= 360.052828 meV Z= 1.116205 lam= -0.104107 E( 4 )= -1.7453 eV Re[Sigma]= 147.322635 meV Im[Sigma]= 350.522772 meV Z= 1.110209 lam= -0.099269 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.295585 meV Im[Sigma]= 285.686632 meV Z= 1.079968 lam= -0.074047 E( 2 )= -6.5385 eV Re[Sigma]= -20.061612 meV Im[Sigma]= 148.203869 meV Z= 0.994395 lam= 0.005637 E( 3 )= -4.4503 eV Re[Sigma]= 16.429425 meV Im[Sigma]= 187.979609 meV Z= 1.018538 lam= -0.018201 E( 4 )= -2.3570 eV Re[Sigma]= 82.933218 meV Im[Sigma]= 337.073368 meV Z= 1.095468 lam= -0.087148 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -82.876172 meV Im[Sigma]= 234.984225 meV Z= 1.043561 lam= -0.041742 E( 2 )= -7.9088 eV Re[Sigma]= -29.902224 meV Im[Sigma]= 203.480337 meV Z= 1.045546 lam= -0.043562 E( 3 )= -5.2372 eV Re[Sigma]= -1.650103 meV Im[Sigma]= 171.161475 meV Z= 1.016845 lam= -0.016566 E( 4 )= -3.1301 eV Re[Sigma]= 42.011515 meV Im[Sigma]= 255.809844 meV Z= 1.049064 lam= -0.046769 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.936818 meV Im[Sigma]= 290.137451 meV Z= 1.081655 lam= -0.075491 E( 2 )= -6.5385 eV Re[Sigma]= -18.086199 meV Im[Sigma]= 150.055867 meV Z= 0.995071 lam= 0.004953 E( 3 )= -4.4503 eV Re[Sigma]= 15.823426 meV Im[Sigma]= 188.966448 meV Z= 1.019061 lam= -0.018704 E( 4 )= -2.3570 eV Re[Sigma]= 83.420557 meV Im[Sigma]= 335.159445 meV Z= 1.094809 lam= -0.086598 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.040420 meV Im[Sigma]= 177.313931 meV Z= 1.025202 lam= -0.024582 E( 2 )= -5.0893 eV Re[Sigma]= -21.021296 meV Im[Sigma]= 199.330064 meV Z= 1.025964 lam= -0.025307 E( 3 )= -1.9911 eV Re[Sigma]= 123.056435 meV Im[Sigma]= 357.683954 meV Z= 1.114813 lam= -0.102989 E( 4 )= -1.7453 eV Re[Sigma]= 147.804704 meV Im[Sigma]= 350.590112 meV Z= 1.110133 lam= -0.099207 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -13.6846 eV Re[Sigma]= -197.664069 meV Im[Sigma]= 180.567037 meV Z= 1.019693 lam= -0.019313 E( 2 )= -6.6106 eV Re[Sigma]= -2.724326 meV Im[Sigma]= 146.306609 meV Z= 0.994023 lam= 0.006013 E( 3 )= -1.2665 eV Re[Sigma]= 189.391278 meV Im[Sigma]= 294.002665 meV Z= 1.069540 lam= -0.065018 E( 4 )= -1.2665 eV Re[Sigma]= 189.244424 meV Im[Sigma]= 292.470793 meV Z= 1.068892 lam= -0.064451 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.040423 meV Im[Sigma]= 177.313930 meV Z= 1.025202 lam= -0.024582 E( 2 )= -5.0893 eV Re[Sigma]= -21.021304 meV Im[Sigma]= 199.330076 meV Z= 1.025964 lam= -0.025307 E( 3 )= -1.9911 eV Re[Sigma]= 123.056432 meV Im[Sigma]= 357.683951 meV Z= 1.114813 lam= -0.102989 E( 4 )= -1.7453 eV Re[Sigma]= 147.804698 meV Im[Sigma]= 350.590092 meV Z= 1.110133 lam= -0.099207 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.9694 eV Re[Sigma]= -183.021694 meV Im[Sigma]= 231.201527 meV Z= 1.023296 lam= -0.022766 E( 2 )= -5.4186 eV Re[Sigma]= -25.458283 meV Im[Sigma]= 176.201589 meV Z= 1.011246 lam= -0.011121 E( 3 )= -3.0665 eV Re[Sigma]= 38.142839 meV Im[Sigma]= 275.732351 meV Z= 1.056218 lam= -0.053225 E( 4 )= -3.0665 eV Re[Sigma]= 37.572205 meV Im[Sigma]= 275.586845 meV Z= 1.056155 lam= -0.053169 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.252174 meV Im[Sigma]= 270.914700 meV Z= 1.050657 lam= -0.048215 E( 2 )= -7.3701 eV Re[Sigma]= -20.055313 meV Im[Sigma]= 193.369997 meV Z= 1.037394 lam= -0.036046 E( 3 )= -4.6413 eV Re[Sigma]= 15.374411 meV Im[Sigma]= 179.516971 meV Z= 1.019697 lam= -0.019317 E( 4 )= -3.4814 eV Re[Sigma]= 24.494233 meV Im[Sigma]= 222.499576 meV Z= 1.031846 lam= -0.030863 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.0219 eV Re[Sigma]= -81.421411 meV Im[Sigma]= 247.230717 meV Z= 1.050419 lam= -0.047999 E( 2 )= -7.4953 eV Re[Sigma]= -30.822312 meV Im[Sigma]= 219.393322 meV Z= 1.053493 lam= -0.050777 E( 3 )= -6.1421 eV Re[Sigma]= 33.653578 meV Im[Sigma]= 126.504448 meV Z= 0.986069 lam= 0.014128 E( 4 )= -2.6245 eV Re[Sigma]= 62.924535 meV Im[Sigma]= 315.262454 meV Z= 1.074329 lam= -0.069186 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.480161 meV Im[Sigma]= 272.239888 meV Z= 1.067673 lam= -0.063383 E( 2 )= -7.5294 eV Re[Sigma]= -10.664009 meV Im[Sigma]= 204.786692 meV Z= 1.049226 lam= -0.046917 E( 3 )= -3.4617 eV Re[Sigma]= 26.230815 meV Im[Sigma]= 244.745453 meV Z= 1.037374 lam= -0.036027 E( 4 )= -1.4850 eV Re[Sigma]= 167.813524 meV Im[Sigma]= 320.508159 meV Z= 1.089641 lam= -0.082267 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.758902 meV Im[Sigma]= 178.950418 meV Z= 1.026313 lam= -0.025639 E( 2 )= -5.0893 eV Re[Sigma]= -20.996800 meV Im[Sigma]= 196.990707 meV Z= 1.025595 lam= -0.024956 E( 3 )= -1.9911 eV Re[Sigma]= 123.360287 meV Im[Sigma]= 356.029123 meV Z= 1.113998 lam= -0.102332 E( 4 )= -1.7453 eV Re[Sigma]= 148.676142 meV Im[Sigma]= 348.111806 meV Z= 1.109260 lam= -0.098498 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -14.3745 eV Re[Sigma]= -217.811594 meV Im[Sigma]= 150.895635 meV Z= 1.010167 lam= -0.010065 E( 2 )= -4.0806 eV Re[Sigma]= -7.445258 meV Im[Sigma]= 243.590143 meV Z= 1.019500 lam= -0.019127 E( 3 )= -2.2746 eV Re[Sigma]= 96.587837 meV Im[Sigma]= 352.915005 meV Z= 1.105509 lam= -0.095439 E( 4 )= -0.6189 eV Re[Sigma]= 224.316349 meV Im[Sigma]= 182.009601 meV Z= 1.015446 lam= -0.015211 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.759488 meV Im[Sigma]= 178.946936 meV Z= 1.026311 lam= -0.025637 E( 2 )= -5.0893 eV Re[Sigma]= -20.996418 meV Im[Sigma]= 196.990303 meV Z= 1.025595 lam= -0.024956 E( 3 )= -1.9911 eV Re[Sigma]= 123.357110 meV Im[Sigma]= 356.038121 meV Z= 1.114002 lam= -0.102336 E( 4 )= -1.7453 eV Re[Sigma]= 148.676555 meV Im[Sigma]= 348.111866 meV Z= 1.109262 lam= -0.098499 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.936822 meV Im[Sigma]= 290.137455 meV Z= 1.081655 lam= -0.075491 E( 2 )= -6.5385 eV Re[Sigma]= -18.086200 meV Im[Sigma]= 150.055872 meV Z= 0.995071 lam= 0.004953 E( 3 )= -4.4503 eV Re[Sigma]= 15.823422 meV Im[Sigma]= 188.966440 meV Z= 1.019061 lam= -0.018704 E( 4 )= -2.3570 eV Re[Sigma]= 83.420557 meV Im[Sigma]= 335.159441 meV Z= 1.094809 lam= -0.086598 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -84.053891 meV Im[Sigma]= 237.816593 meV Z= 1.045321 lam= -0.043356 E( 2 )= -7.9088 eV Re[Sigma]= -32.386606 meV Im[Sigma]= 205.089986 meV Z= 1.046299 lam= -0.044251 E( 3 )= -5.2372 eV Re[Sigma]= -1.395613 meV Im[Sigma]= 170.066360 meV Z= 1.016101 lam= -0.015846 E( 4 )= -3.1301 eV Re[Sigma]= 40.300172 meV Im[Sigma]= 255.317113 meV Z= 1.049522 lam= -0.047186 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.936013 meV Im[Sigma]= 290.137953 meV Z= 1.081655 lam= -0.075491 E( 2 )= -6.5385 eV Re[Sigma]= -18.086311 meV Im[Sigma]= 150.055796 meV Z= 0.995071 lam= 0.004953 E( 3 )= -4.4503 eV Re[Sigma]= 15.823300 meV Im[Sigma]= 188.967809 meV Z= 1.019061 lam= -0.018705 E( 4 )= -2.3570 eV Re[Sigma]= 83.419364 meV Im[Sigma]= 335.161479 meV Z= 1.094810 lam= -0.086599 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.9694 eV Re[Sigma]= -183.021102 meV Im[Sigma]= 231.203225 meV Z= 1.023297 lam= -0.022766 E( 2 )= -5.4186 eV Re[Sigma]= -25.458257 meV Im[Sigma]= 176.200664 meV Z= 1.011245 lam= -0.011120 E( 3 )= -3.0665 eV Re[Sigma]= 38.133374 meV Im[Sigma]= 275.731357 meV Z= 1.056218 lam= -0.053226 E( 4 )= -3.0665 eV Re[Sigma]= 37.582414 meV Im[Sigma]= 275.591805 meV Z= 1.056156 lam= -0.053171 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.040953 meV Im[Sigma]= 177.314157 meV Z= 1.025202 lam= -0.024583 E( 2 )= -5.0893 eV Re[Sigma]= -21.021313 meV Im[Sigma]= 199.329933 meV Z= 1.025964 lam= -0.025307 E( 3 )= -1.9911 eV Re[Sigma]= 123.052813 meV Im[Sigma]= 357.696702 meV Z= 1.114819 lam= -0.102994 E( 4 )= -1.7453 eV Re[Sigma]= 147.803793 meV Im[Sigma]= 350.593946 meV Z= 1.110136 lam= -0.099209 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -13.6846 eV Re[Sigma]= -197.665428 meV Im[Sigma]= 180.562914 meV Z= 1.019690 lam= -0.019310 E( 2 )= -6.6106 eV Re[Sigma]= -2.723391 meV Im[Sigma]= 146.302944 meV Z= 0.994022 lam= 0.006014 E( 3 )= -1.2665 eV Re[Sigma]= 189.024709 meV Im[Sigma]= 290.189497 meV Z= 1.067928 lam= -0.063607 E( 4 )= -1.2665 eV Re[Sigma]= 189.609380 meV Im[Sigma]= 296.299797 meV Z= 1.070513 lam= -0.065868 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.482525 meV Im[Sigma]= 272.237870 meV Z= 1.067671 lam= -0.063382 E( 2 )= -7.5294 eV Re[Sigma]= -10.662591 meV Im[Sigma]= 204.783549 meV Z= 1.049226 lam= -0.046916 E( 3 )= -3.4617 eV Re[Sigma]= 26.230709 meV Im[Sigma]= 244.745889 meV Z= 1.037373 lam= -0.036027 E( 4 )= -1.4850 eV Re[Sigma]= 167.813117 meV Im[Sigma]= 320.508669 meV Z= 1.089642 lam= -0.082267 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.0219 eV Re[Sigma]= -81.421410 meV Im[Sigma]= 247.230719 meV Z= 1.050419 lam= -0.047999 E( 2 )= -7.4953 eV Re[Sigma]= -30.822307 meV Im[Sigma]= 219.393332 meV Z= 1.053493 lam= -0.050777 E( 3 )= -6.1421 eV Re[Sigma]= 33.653577 meV Im[Sigma]= 126.504441 meV Z= 0.986069 lam= 0.014128 E( 4 )= -2.6245 eV Re[Sigma]= 62.924536 meV Im[Sigma]= 315.262453 meV Z= 1.074329 lam= -0.069186 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.252534 meV Im[Sigma]= 270.913495 meV Z= 1.050657 lam= -0.048214 E( 2 )= -7.3701 eV Re[Sigma]= -20.053835 meV Im[Sigma]= 193.370195 meV Z= 1.037394 lam= -0.036046 E( 3 )= -4.6413 eV Re[Sigma]= 15.374324 meV Im[Sigma]= 179.514852 meV Z= 1.019696 lam= -0.019316 E( 4 )= -3.4814 eV Re[Sigma]= 24.492467 meV Im[Sigma]= 222.498636 meV Z= 1.031845 lam= -0.030862 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.900148 meV Im[Sigma]= 267.548592 meV Z= 1.049752 lam= -0.047394 E( 2 )= -7.3701 eV Re[Sigma]= -18.456770 meV Im[Sigma]= 188.748097 meV Z= 1.036062 lam= -0.034807 E( 3 )= -4.6413 eV Re[Sigma]= 16.532225 meV Im[Sigma]= 177.586216 meV Z= 1.019031 lam= -0.018676 E( 4 )= -3.4814 eV Re[Sigma]= 27.736978 meV Im[Sigma]= 225.006858 meV Z= 1.032040 lam= -0.031045 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.295127 meV Im[Sigma]= 285.686818 meV Z= 1.079969 lam= -0.074047 E( 2 )= -6.5385 eV Re[Sigma]= -20.061118 meV Im[Sigma]= 148.203099 meV Z= 0.994395 lam= 0.005637 E( 3 )= -4.4503 eV Re[Sigma]= 16.428888 meV Im[Sigma]= 187.980617 meV Z= 1.018538 lam= -0.018201 E( 4 )= -2.3570 eV Re[Sigma]= 82.932344 meV Im[Sigma]= 337.072916 meV Z= 1.095467 lam= -0.087148 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.074024 meV Im[Sigma]= 268.831199 meV Z= 1.066516 lam= -0.062368 E( 2 )= -7.5294 eV Re[Sigma]= -12.455284 meV Im[Sigma]= 206.038549 meV Z= 1.049751 lam= -0.047393 E( 3 )= -3.4617 eV Re[Sigma]= 23.567946 meV Im[Sigma]= 242.557609 meV Z= 1.036926 lam= -0.035611 E( 4 )= -1.4850 eV Re[Sigma]= 166.751300 meV Im[Sigma]= 318.687376 meV Z= 1.089100 lam= -0.081811 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -137.289518 meV Im[Sigma]= 298.336481 meV Z= 1.078727 lam= -0.072981 E( 2 )= -8.4181 eV Re[Sigma]= -27.519160 meV Im[Sigma]= 148.145758 meV Z= 1.002909 lam= -0.002901 E( 3 )= -2.9817 eV Re[Sigma]= 42.210541 meV Im[Sigma]= 291.975144 meV Z= 1.060462 lam= -0.057014 E( 4 )= -2.2693 eV Re[Sigma]= 89.521810 meV Im[Sigma]= 336.561548 meV Z= 1.099955 lam= -0.090872 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -84.053880 meV Im[Sigma]= 237.816591 meV Z= 1.045321 lam= -0.043356 E( 2 )= -7.9088 eV Re[Sigma]= -32.386597 meV Im[Sigma]= 205.089980 meV Z= 1.046299 lam= -0.044251 E( 3 )= -5.2372 eV Re[Sigma]= -1.395618 meV Im[Sigma]= 170.066367 meV Z= 1.016101 lam= -0.015846 E( 4 )= -3.1301 eV Re[Sigma]= 40.300163 meV Im[Sigma]= 255.317082 meV Z= 1.049522 lam= -0.047186 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -10.5169 eV Re[Sigma]= -75.214539 meV Im[Sigma]= 154.376951 meV Z= 0.986409 lam= 0.013778 E( 2 )= -7.6803 eV Re[Sigma]= -41.060160 meV Im[Sigma]= 191.379664 meV Z= 1.045114 lam= -0.043167 E( 3 )= -5.4004 eV Re[Sigma]= 4.491399 meV Im[Sigma]= 147.531188 meV Z= 1.005099 lam= -0.005074 E( 4 )= -4.2518 eV Re[Sigma]= 34.361177 meV Im[Sigma]= 176.000158 meV Z= 1.013549 lam= -0.013367 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -11.0219 eV Re[Sigma]= -83.048392 meV Im[Sigma]= 240.238301 meV Z= 1.046971 lam= -0.044863 E( 2 )= -7.4953 eV Re[Sigma]= -31.976454 meV Im[Sigma]= 215.030746 meV Z= 1.052401 lam= -0.049792 E( 3 )= -6.1421 eV Re[Sigma]= 34.445238 meV Im[Sigma]= 126.238316 meV Z= 0.986426 lam= 0.013760 E( 4 )= -2.6245 eV Re[Sigma]= 63.260765 meV Im[Sigma]= 314.818499 meV Z= 1.073810 lam= -0.068737 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -85.520184 meV Im[Sigma]= 230.829699 meV Z= 1.041874 lam= -0.040191 E( 2 )= -7.9088 eV Re[Sigma]= -30.312280 meV Im[Sigma]= 196.830109 meV Z= 1.043062 lam= -0.041285 E( 3 )= -5.2372 eV Re[Sigma]= -2.479825 meV Im[Sigma]= 169.158479 meV Z= 1.015382 lam= -0.015149 E( 4 )= -3.1301 eV Re[Sigma]= 42.907594 meV Im[Sigma]= 257.592463 meV Z= 1.048651 lam= -0.046394 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.0219 eV Re[Sigma]= -83.048809 meV Im[Sigma]= 240.236670 meV Z= 1.046970 lam= -0.044863 E( 2 )= -7.4953 eV Re[Sigma]= -31.975748 meV Im[Sigma]= 215.027850 meV Z= 1.052400 lam= -0.049791 E( 3 )= -6.1421 eV Re[Sigma]= 34.445555 meV Im[Sigma]= 126.238325 meV Z= 0.986426 lam= 0.013760 E( 4 )= -2.6245 eV Re[Sigma]= 63.260289 meV Im[Sigma]= 314.818032 meV Z= 1.073810 lam= -0.068737 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -82.876407 meV Im[Sigma]= 234.983230 meV Z= 1.043560 lam= -0.041742 E( 2 )= -7.9088 eV Re[Sigma]= -29.901994 meV Im[Sigma]= 203.481036 meV Z= 1.045547 lam= -0.043562 E( 3 )= -5.2372 eV Re[Sigma]= -1.649990 meV Im[Sigma]= 171.160140 meV Z= 1.016844 lam= -0.016565 E( 4 )= -3.1301 eV Re[Sigma]= 42.009721 meV Im[Sigma]= 255.809031 meV Z= 1.049064 lam= -0.046769 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.0219 eV Re[Sigma]= -81.421411 meV Im[Sigma]= 247.230719 meV Z= 1.050419 lam= -0.047999 E( 2 )= -7.4953 eV Re[Sigma]= -30.822304 meV Im[Sigma]= 219.393317 meV Z= 1.053493 lam= -0.050777 E( 3 )= -6.1421 eV Re[Sigma]= 33.653579 meV Im[Sigma]= 126.504443 meV Z= 0.986069 lam= 0.014128 E( 4 )= -2.6245 eV Re[Sigma]= 62.924537 meV Im[Sigma]= 315.262441 meV Z= 1.074329 lam= -0.069186 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -82.876157 meV Im[Sigma]= 234.984227 meV Z= 1.043561 lam= -0.041742 E( 2 )= -7.9088 eV Re[Sigma]= -29.902224 meV Im[Sigma]= 203.480332 meV Z= 1.045546 lam= -0.043562 E( 3 )= -5.2372 eV Re[Sigma]= -1.650097 meV Im[Sigma]= 171.161446 meV Z= 1.016845 lam= -0.016566 E( 4 )= -3.1301 eV Re[Sigma]= 42.011516 meV Im[Sigma]= 255.809835 meV Z= 1.049064 lam= -0.046769 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.072773 meV Im[Sigma]= 268.832806 meV Z= 1.066517 lam= -0.062369 E( 2 )= -7.5294 eV Re[Sigma]= -12.457073 meV Im[Sigma]= 206.042169 meV Z= 1.049753 lam= -0.047395 E( 3 )= -3.4617 eV Re[Sigma]= 23.571216 meV Im[Sigma]= 242.558518 meV Z= 1.036928 lam= -0.035612 E( 4 )= -1.4850 eV Re[Sigma]= 166.752806 meV Im[Sigma]= 318.683752 meV Z= 1.089097 lam= -0.081808 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.295584 meV Im[Sigma]= 285.686625 meV Z= 1.079968 lam= -0.074047 E( 2 )= -6.5385 eV Re[Sigma]= -20.061614 meV Im[Sigma]= 148.203862 meV Z= 0.994395 lam= 0.005637 E( 3 )= -4.4503 eV Re[Sigma]= 16.429430 meV Im[Sigma]= 187.979612 meV Z= 1.018538 lam= -0.018201 E( 4 )= -2.3570 eV Re[Sigma]= 82.933218 meV Im[Sigma]= 337.073361 meV Z= 1.095468 lam= -0.087148 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.900852 meV Im[Sigma]= 267.548278 meV Z= 1.049752 lam= -0.047394 E( 2 )= -7.3701 eV Re[Sigma]= -18.457039 meV Im[Sigma]= 188.745810 meV Z= 1.036061 lam= -0.034806 E( 3 )= -4.6413 eV Re[Sigma]= 16.532655 meV Im[Sigma]= 177.585119 meV Z= 1.019031 lam= -0.018676 E( 4 )= -3.4814 eV Re[Sigma]= 27.734073 meV Im[Sigma]= 225.003682 meV Z= 1.032037 lam= -0.031043 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -10.5169 eV Re[Sigma]= -75.214247 meV Im[Sigma]= 154.376468 meV Z= 0.986409 lam= 0.013778 E( 2 )= -7.6803 eV Re[Sigma]= -41.060595 meV Im[Sigma]= 191.377504 meV Z= 1.045113 lam= -0.043165 E( 3 )= -5.4004 eV Re[Sigma]= 4.491052 meV Im[Sigma]= 147.532358 meV Z= 1.005100 lam= -0.005074 E( 4 )= -4.2518 eV Re[Sigma]= 34.361281 meV Im[Sigma]= 176.002051 meV Z= 1.013549 lam= -0.013368 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -84.053888 meV Im[Sigma]= 237.816590 meV Z= 1.045321 lam= -0.043356 E( 2 )= -7.9088 eV Re[Sigma]= -32.386600 meV Im[Sigma]= 205.089986 meV Z= 1.046299 lam= -0.044251 E( 3 )= -5.2372 eV Re[Sigma]= -1.395609 meV Im[Sigma]= 170.066362 meV Z= 1.016101 lam= -0.015846 E( 4 )= -3.1301 eV Re[Sigma]= 40.300176 meV Im[Sigma]= 255.317111 meV Z= 1.049522 lam= -0.047186 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -137.287226 meV Im[Sigma]= 298.338739 meV Z= 1.078729 lam= -0.072983 E( 2 )= -8.4181 eV Re[Sigma]= -27.519573 meV Im[Sigma]= 148.144775 meV Z= 1.002908 lam= -0.002899 E( 3 )= -2.9817 eV Re[Sigma]= 42.213435 meV Im[Sigma]= 291.976754 meV Z= 1.060462 lam= -0.057015 E( 4 )= -2.2693 eV Re[Sigma]= 89.524395 meV Im[Sigma]= 336.557560 meV Z= 1.099953 lam= -0.090870 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.4659 eV Re[Sigma]= -158.589745 meV Im[Sigma]= 282.992977 meV Z= 1.080695 lam= -0.074670 E( 2 )= -9.2155 eV Re[Sigma]= 6.730157 meV Im[Sigma]= 63.706853 meV Z= 0.951883 lam= 0.050549 E( 3 )= -1.7294 eV Re[Sigma]= 141.075283 meV Im[Sigma]= 332.041920 meV Z= 1.103796 lam= -0.094035 E( 4 )= -1.7294 eV Re[Sigma]= 141.182773 meV Im[Sigma]= 332.368876 meV Z= 1.103976 lam= -0.094183 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -137.287228 meV Im[Sigma]= 298.338722 meV Z= 1.078729 lam= -0.072983 E( 2 )= -8.4181 eV Re[Sigma]= -27.519572 meV Im[Sigma]= 148.144779 meV Z= 1.002908 lam= -0.002899 E( 3 )= -2.9817 eV Re[Sigma]= 42.213440 meV Im[Sigma]= 291.976758 meV Z= 1.060462 lam= -0.057015 E( 4 )= -2.2693 eV Re[Sigma]= 89.524395 meV Im[Sigma]= 336.557572 meV Z= 1.099953 lam= -0.090870 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.252158 meV Im[Sigma]= 270.914698 meV Z= 1.050657 lam= -0.048215 E( 2 )= -7.3701 eV Re[Sigma]= -20.055317 meV Im[Sigma]= 193.369997 meV Z= 1.037394 lam= -0.036046 E( 3 )= -4.6413 eV Re[Sigma]= 15.374415 meV Im[Sigma]= 179.516971 meV Z= 1.019697 lam= -0.019317 E( 4 )= -3.4814 eV Re[Sigma]= 24.494234 meV Im[Sigma]= 222.499593 meV Z= 1.031846 lam= -0.030863 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.1466 eV Re[Sigma]= -67.000032 meV Im[Sigma]= 238.932331 meV Z= 1.048293 lam= -0.046068 E( 2 )= -7.9488 eV Re[Sigma]= -29.284934 meV Im[Sigma]= 175.806649 meV Z= 1.030884 lam= -0.029959 E( 3 )= -4.1536 eV Re[Sigma]= 23.537089 meV Im[Sigma]= 176.359462 meV Z= 1.009956 lam= -0.009858 E( 4 )= -4.1536 eV Re[Sigma]= 20.701487 meV Im[Sigma]= 172.497916 meV Z= 1.009641 lam= -0.009549 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.252532 meV Im[Sigma]= 270.913494 meV Z= 1.050657 lam= -0.048214 E( 2 )= -7.3701 eV Re[Sigma]= -20.053839 meV Im[Sigma]= 193.370206 meV Z= 1.037394 lam= -0.036046 E( 3 )= -4.6413 eV Re[Sigma]= 15.374323 meV Im[Sigma]= 179.514853 meV Z= 1.019696 lam= -0.019316 E( 4 )= -3.4814 eV Re[Sigma]= 24.492469 meV Im[Sigma]= 222.498618 meV Z= 1.031845 lam= -0.030862 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -137.289521 meV Im[Sigma]= 298.336476 meV Z= 1.078727 lam= -0.072981 E( 2 )= -8.4181 eV Re[Sigma]= -27.519168 meV Im[Sigma]= 148.145764 meV Z= 1.002909 lam= -0.002901 E( 3 )= -2.9817 eV Re[Sigma]= 42.210549 meV Im[Sigma]= 291.975158 meV Z= 1.060462 lam= -0.057014 E( 4 )= -2.2693 eV Re[Sigma]= 89.521801 meV Im[Sigma]= 336.561526 meV Z= 1.099955 lam= -0.090872 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -136.425373 meV Im[Sigma]= 299.486744 meV Z= 1.079308 lam= -0.073480 E( 2 )= -8.4181 eV Re[Sigma]= -25.264088 meV Im[Sigma]= 148.073207 meV Z= 1.003430 lam= -0.003418 E( 3 )= -2.9817 eV Re[Sigma]= 42.138982 meV Im[Sigma]= 293.346640 meV Z= 1.061021 lam= -0.057511 E( 4 )= -2.2693 eV Re[Sigma]= 91.513557 meV Im[Sigma]= 333.287046 meV Z= 1.098073 lam= -0.089314 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.480150 meV Im[Sigma]= 272.239883 meV Z= 1.067673 lam= -0.063383 E( 2 )= -7.5294 eV Re[Sigma]= -10.664017 meV Im[Sigma]= 204.786697 meV Z= 1.049226 lam= -0.046917 E( 3 )= -3.4617 eV Re[Sigma]= 26.230811 meV Im[Sigma]= 244.745437 meV Z= 1.037374 lam= -0.036027 E( 4 )= -1.4850 eV Re[Sigma]= 167.813522 meV Im[Sigma]= 320.508150 meV Z= 1.089641 lam= -0.082267 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.936812 meV Im[Sigma]= 290.137444 meV Z= 1.081655 lam= -0.075491 E( 2 )= -6.5385 eV Re[Sigma]= -18.086198 meV Im[Sigma]= 150.055867 meV Z= 0.995071 lam= 0.004953 E( 3 )= -4.4503 eV Re[Sigma]= 15.823421 meV Im[Sigma]= 188.966458 meV Z= 1.019061 lam= -0.018704 E( 4 )= -2.3570 eV Re[Sigma]= 83.420556 meV Im[Sigma]= 335.159414 meV Z= 1.094809 lam= -0.086598 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -92.801581 meV Im[Sigma]= 271.297946 meV Z= 1.051155 lam= -0.048665 E( 2 )= -7.3701 eV Re[Sigma]= -18.847916 meV Im[Sigma]= 192.531195 meV Z= 1.037386 lam= -0.036039 E( 3 )= -4.6413 eV Re[Sigma]= 14.839096 meV Im[Sigma]= 178.847313 meV Z= 1.019821 lam= -0.019436 E( 4 )= -3.4814 eV Re[Sigma]= 26.577215 meV Im[Sigma]= 225.178424 meV Z= 1.033326 lam= -0.032251 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -10.5169 eV Re[Sigma]= -75.214564 meV Im[Sigma]= 154.376944 meV Z= 0.986409 lam= 0.013778 E( 2 )= -7.6803 eV Re[Sigma]= -41.060165 meV Im[Sigma]= 191.379674 meV Z= 1.045114 lam= -0.043167 E( 3 )= -5.4004 eV Re[Sigma]= 4.491410 meV Im[Sigma]= 147.531184 meV Z= 1.005099 lam= -0.005074 E( 4 )= -4.2518 eV Re[Sigma]= 34.361173 meV Im[Sigma]= 176.000178 meV Z= 1.013549 lam= -0.013367 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -82.876404 meV Im[Sigma]= 234.983228 meV Z= 1.043560 lam= -0.041742 E( 2 )= -7.9088 eV Re[Sigma]= -29.902005 meV Im[Sigma]= 203.481048 meV Z= 1.045547 lam= -0.043562 E( 3 )= -5.2372 eV Re[Sigma]= -1.650001 meV Im[Sigma]= 171.160153 meV Z= 1.016844 lam= -0.016565 E( 4 )= -3.1301 eV Re[Sigma]= 42.009700 meV Im[Sigma]= 255.809001 meV Z= 1.049064 lam= -0.046769 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -92.799672 meV Im[Sigma]= 271.297233 meV Z= 1.051155 lam= -0.048665 E( 2 )= -7.3701 eV Re[Sigma]= -18.849247 meV Im[Sigma]= 192.528738 meV Z= 1.037384 lam= -0.036037 E( 3 )= -4.6413 eV Re[Sigma]= 14.838644 meV Im[Sigma]= 178.852502 meV Z= 1.019823 lam= -0.019438 E( 4 )= -3.4814 eV Re[Sigma]= 26.579216 meV Im[Sigma]= 225.182916 meV Z= 1.033329 lam= -0.032254 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.935989 meV Im[Sigma]= 290.137956 meV Z= 1.081655 lam= -0.075491 E( 2 )= -6.5385 eV Re[Sigma]= -18.086307 meV Im[Sigma]= 150.055794 meV Z= 0.995071 lam= 0.004953 E( 3 )= -4.4503 eV Re[Sigma]= 15.823305 meV Im[Sigma]= 188.967797 meV Z= 1.019061 lam= -0.018705 E( 4 )= -2.3570 eV Re[Sigma]= 83.419366 meV Im[Sigma]= 335.161478 meV Z= 1.094810 lam= -0.086599 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.482513 meV Im[Sigma]= 272.237869 meV Z= 1.067671 lam= -0.063382 E( 2 )= -7.5294 eV Re[Sigma]= -10.662588 meV Im[Sigma]= 204.783546 meV Z= 1.049226 lam= -0.046916 E( 3 )= -3.4617 eV Re[Sigma]= 26.230709 meV Im[Sigma]= 244.745893 meV Z= 1.037373 lam= -0.036027 E( 4 )= -1.4850 eV Re[Sigma]= 167.813121 meV Im[Sigma]= 320.508667 meV Z= 1.089642 lam= -0.082267 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -136.428851 meV Im[Sigma]= 299.485553 meV Z= 1.079306 lam= -0.073479 E( 2 )= -8.4181 eV Re[Sigma]= -25.263278 meV Im[Sigma]= 148.073284 meV Z= 1.003431 lam= -0.003419 E( 3 )= -2.9817 eV Re[Sigma]= 42.140544 meV Im[Sigma]= 293.346271 meV Z= 1.061021 lam= -0.057512 E( 4 )= -2.2693 eV Re[Sigma]= 91.512384 meV Im[Sigma]= 333.287687 meV Z= 1.098073 lam= -0.089314 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -82.876177 meV Im[Sigma]= 234.984221 meV Z= 1.043561 lam= -0.041742 E( 2 )= -7.9088 eV Re[Sigma]= -29.902224 meV Im[Sigma]= 203.480347 meV Z= 1.045546 lam= -0.043562 E( 3 )= -5.2372 eV Re[Sigma]= -1.650098 meV Im[Sigma]= 171.161467 meV Z= 1.016845 lam= -0.016566 E( 4 )= -3.1301 eV Re[Sigma]= 42.011514 meV Im[Sigma]= 255.809848 meV Z= 1.049064 lam= -0.046769 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -10.5169 eV Re[Sigma]= -75.214240 meV Im[Sigma]= 154.376476 meV Z= 0.986409 lam= 0.013778 E( 2 )= -7.6803 eV Re[Sigma]= -41.060604 meV Im[Sigma]= 191.377517 meV Z= 1.045113 lam= -0.043165 E( 3 )= -5.4004 eV Re[Sigma]= 4.491042 meV Im[Sigma]= 147.532364 meV Z= 1.005100 lam= -0.005074 E( 4 )= -4.2518 eV Re[Sigma]= 34.361288 meV Im[Sigma]= 176.002053 meV Z= 1.013549 lam= -0.013368 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -11.1466 eV Re[Sigma]= -67.000023 meV Im[Sigma]= 238.932329 meV Z= 1.048293 lam= -0.046068 E( 2 )= -7.9488 eV Re[Sigma]= -29.284933 meV Im[Sigma]= 175.806646 meV Z= 1.030884 lam= -0.029959 E( 3 )= -4.1536 eV Re[Sigma]= 21.869705 meV Im[Sigma]= 174.088805 meV Z= 1.009771 lam= -0.009676 E( 4 )= -4.1536 eV Re[Sigma]= 22.368868 meV Im[Sigma]= 174.768580 meV Z= 1.009827 lam= -0.009731 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.252520 meV Im[Sigma]= 270.913486 meV Z= 1.050657 lam= -0.048214 E( 2 )= -7.3701 eV Re[Sigma]= -20.053831 meV Im[Sigma]= 193.370197 meV Z= 1.037394 lam= -0.036046 E( 3 )= -4.6413 eV Re[Sigma]= 15.374329 meV Im[Sigma]= 179.514850 meV Z= 1.019696 lam= -0.019316 E( 4 )= -3.4814 eV Re[Sigma]= 24.492462 meV Im[Sigma]= 222.498646 meV Z= 1.031845 lam= -0.030862 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -137.289509 meV Im[Sigma]= 298.336477 meV Z= 1.078727 lam= -0.072981 E( 2 )= -8.4181 eV Re[Sigma]= -27.519164 meV Im[Sigma]= 148.145756 meV Z= 1.002909 lam= -0.002901 E( 3 )= -2.9817 eV Re[Sigma]= 42.210547 meV Im[Sigma]= 291.975138 meV Z= 1.060462 lam= -0.057014 E( 4 )= -2.2693 eV Re[Sigma]= 89.521806 meV Im[Sigma]= 336.561569 meV Z= 1.099955 lam= -0.090872 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.4659 eV Re[Sigma]= -158.589742 meV Im[Sigma]= 282.992996 meV Z= 1.080695 lam= -0.074670 E( 2 )= -9.2155 eV Re[Sigma]= 6.730169 meV Im[Sigma]= 63.706854 meV Z= 0.951883 lam= 0.050549 E( 3 )= -1.7294 eV Re[Sigma]= 140.836973 meV Im[Sigma]= 331.316998 meV Z= 1.103396 lam= -0.093707 E( 4 )= -1.7294 eV Re[Sigma]= 141.421086 meV Im[Sigma]= 333.093802 meV Z= 1.104376 lam= -0.094511 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -137.287227 meV Im[Sigma]= 298.338743 meV Z= 1.078729 lam= -0.072983 E( 2 )= -8.4181 eV Re[Sigma]= -27.519570 meV Im[Sigma]= 148.144782 meV Z= 1.002908 lam= -0.002899 E( 3 )= -2.9817 eV Re[Sigma]= 42.213441 meV Im[Sigma]= 291.976759 meV Z= 1.060462 lam= -0.057015 E( 4 )= -2.2693 eV Re[Sigma]= 89.524385 meV Im[Sigma]= 336.557556 meV Z= 1.099953 lam= -0.090870 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.252160 meV Im[Sigma]= 270.914702 meV Z= 1.050657 lam= -0.048215 E( 2 )= -7.3701 eV Re[Sigma]= -20.055318 meV Im[Sigma]= 193.369997 meV Z= 1.037394 lam= -0.036046 E( 3 )= -4.6413 eV Re[Sigma]= 15.374412 meV Im[Sigma]= 179.516972 meV Z= 1.019697 lam= -0.019317 E( 4 )= -3.4814 eV Re[Sigma]= 24.494235 meV Im[Sigma]= 222.499579 meV Z= 1.031846 lam= -0.030863 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -92.801571 meV Im[Sigma]= 271.297951 meV Z= 1.051155 lam= -0.048665 E( 2 )= -7.3701 eV Re[Sigma]= -18.847914 meV Im[Sigma]= 192.531190 meV Z= 1.037386 lam= -0.036039 E( 3 )= -4.6413 eV Re[Sigma]= 14.839093 meV Im[Sigma]= 178.847295 meV Z= 1.019821 lam= -0.019436 E( 4 )= -3.4814 eV Re[Sigma]= 26.577215 meV Im[Sigma]= 225.178418 meV Z= 1.033326 lam= -0.032251 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -10.5169 eV Re[Sigma]= -75.214553 meV Im[Sigma]= 154.376951 meV Z= 0.986409 lam= 0.013778 E( 2 )= -7.6803 eV Re[Sigma]= -41.060154 meV Im[Sigma]= 191.379660 meV Z= 1.045114 lam= -0.043167 E( 3 )= -5.4004 eV Re[Sigma]= 4.491408 meV Im[Sigma]= 147.531195 meV Z= 1.005099 lam= -0.005074 E( 4 )= -4.2518 eV Re[Sigma]= 34.361173 meV Im[Sigma]= 176.000175 meV Z= 1.013549 lam= -0.013367 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -82.876405 meV Im[Sigma]= 234.983228 meV Z= 1.043560 lam= -0.041742 E( 2 )= -7.9088 eV Re[Sigma]= -29.901999 meV Im[Sigma]= 203.481032 meV Z= 1.045547 lam= -0.043562 E( 3 )= -5.2372 eV Re[Sigma]= -1.649995 meV Im[Sigma]= 171.160137 meV Z= 1.016844 lam= -0.016565 E( 4 )= -3.1301 eV Re[Sigma]= 42.009706 meV Im[Sigma]= 255.809017 meV Z= 1.049064 lam= -0.046769 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -136.425385 meV Im[Sigma]= 299.486755 meV Z= 1.079308 lam= -0.073480 E( 2 )= -8.4181 eV Re[Sigma]= -25.264077 meV Im[Sigma]= 148.073205 meV Z= 1.003430 lam= -0.003418 E( 3 )= -2.9817 eV Re[Sigma]= 42.138984 meV Im[Sigma]= 293.346647 meV Z= 1.061021 lam= -0.057511 E( 4 )= -2.2693 eV Re[Sigma]= 91.513565 meV Im[Sigma]= 333.287045 meV Z= 1.098073 lam= -0.089314 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.480161 meV Im[Sigma]= 272.239893 meV Z= 1.067673 lam= -0.063383 E( 2 )= -7.5294 eV Re[Sigma]= -10.664003 meV Im[Sigma]= 204.786690 meV Z= 1.049226 lam= -0.046917 E( 3 )= -3.4617 eV Re[Sigma]= 26.230810 meV Im[Sigma]= 244.745440 meV Z= 1.037374 lam= -0.036027 E( 4 )= -1.4850 eV Re[Sigma]= 167.813521 meV Im[Sigma]= 320.508145 meV Z= 1.089641 lam= -0.082267 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.936807 meV Im[Sigma]= 290.137449 meV Z= 1.081655 lam= -0.075491 E( 2 )= -6.5385 eV Re[Sigma]= -18.086194 meV Im[Sigma]= 150.055864 meV Z= 0.995071 lam= 0.004953 E( 3 )= -4.4503 eV Re[Sigma]= 15.823421 meV Im[Sigma]= 188.966429 meV Z= 1.019061 lam= -0.018704 E( 4 )= -2.3570 eV Re[Sigma]= 83.420548 meV Im[Sigma]= 335.159412 meV Z= 1.094809 lam= -0.086598 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -136.428854 meV Im[Sigma]= 299.485550 meV Z= 1.079306 lam= -0.073479 E( 2 )= -8.4181 eV Re[Sigma]= -25.263282 meV Im[Sigma]= 148.073280 meV Z= 1.003431 lam= -0.003419 E( 3 )= -2.9817 eV Re[Sigma]= 42.140542 meV Im[Sigma]= 293.346249 meV Z= 1.061021 lam= -0.057512 E( 4 )= -2.2693 eV Re[Sigma]= 91.512387 meV Im[Sigma]= 333.287692 meV Z= 1.098073 lam= -0.089314 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -82.876169 meV Im[Sigma]= 234.984223 meV Z= 1.043561 lam= -0.041742 E( 2 )= -7.9088 eV Re[Sigma]= -29.902217 meV Im[Sigma]= 203.480336 meV Z= 1.045546 lam= -0.043562 E( 3 )= -5.2372 eV Re[Sigma]= -1.650100 meV Im[Sigma]= 171.161460 meV Z= 1.016845 lam= -0.016566 E( 4 )= -3.1301 eV Re[Sigma]= 42.011517 meV Im[Sigma]= 255.809856 meV Z= 1.049064 lam= -0.046769 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -10.5169 eV Re[Sigma]= -75.214225 meV Im[Sigma]= 154.376473 meV Z= 0.986409 lam= 0.013778 E( 2 )= -7.6803 eV Re[Sigma]= -41.060594 meV Im[Sigma]= 191.377503 meV Z= 1.045113 lam= -0.043165 E( 3 )= -5.4004 eV Re[Sigma]= 4.491037 meV Im[Sigma]= 147.532363 meV Z= 1.005100 lam= -0.005074 E( 4 )= -4.2518 eV Re[Sigma]= 34.361280 meV Im[Sigma]= 176.002041 meV Z= 1.013549 lam= -0.013368 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -92.799677 meV Im[Sigma]= 271.297238 meV Z= 1.051155 lam= -0.048665 E( 2 )= -7.3701 eV Re[Sigma]= -18.849240 meV Im[Sigma]= 192.528722 meV Z= 1.037384 lam= -0.036037 E( 3 )= -4.6413 eV Re[Sigma]= 14.838637 meV Im[Sigma]= 178.852509 meV Z= 1.019823 lam= -0.019438 E( 4 )= -3.4814 eV Re[Sigma]= 26.579219 meV Im[Sigma]= 225.182918 meV Z= 1.033329 lam= -0.032254 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.936009 meV Im[Sigma]= 290.137959 meV Z= 1.081655 lam= -0.075491 E( 2 )= -6.5385 eV Re[Sigma]= -18.086311 meV Im[Sigma]= 150.055791 meV Z= 0.995071 lam= 0.004953 E( 3 )= -4.4503 eV Re[Sigma]= 15.823306 meV Im[Sigma]= 188.967806 meV Z= 1.019061 lam= -0.018705 E( 4 )= -2.3570 eV Re[Sigma]= 83.419374 meV Im[Sigma]= 335.161484 meV Z= 1.094810 lam= -0.086599 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.482525 meV Im[Sigma]= 272.237866 meV Z= 1.067671 lam= -0.063382 E( 2 )= -7.5294 eV Re[Sigma]= -10.662591 meV Im[Sigma]= 204.783544 meV Z= 1.049226 lam= -0.046916 E( 3 )= -3.4617 eV Re[Sigma]= 26.230707 meV Im[Sigma]= 244.745871 meV Z= 1.037373 lam= -0.036027 E( 4 )= -1.4850 eV Re[Sigma]= 167.813117 meV Im[Sigma]= 320.508653 meV Z= 1.089642 lam= -0.082267 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -13.6846 eV Re[Sigma]= -197.665433 meV Im[Sigma]= 180.562912 meV Z= 1.019690 lam= -0.019310 E( 2 )= -6.6106 eV Re[Sigma]= -2.723390 meV Im[Sigma]= 146.302941 meV Z= 0.994022 lam= 0.006014 E( 3 )= -1.2665 eV Re[Sigma]= 189.048439 meV Im[Sigma]= 290.437515 meV Z= 1.068033 lam= -0.063699 E( 4 )= -1.2665 eV Re[Sigma]= 189.585643 meV Im[Sigma]= 296.051753 meV Z= 1.070408 lam= -0.065777 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.482522 meV Im[Sigma]= 272.237867 meV Z= 1.067671 lam= -0.063382 E( 2 )= -7.5294 eV Re[Sigma]= -10.662586 meV Im[Sigma]= 204.783540 meV Z= 1.049226 lam= -0.046916 E( 3 )= -3.4617 eV Re[Sigma]= 26.230711 meV Im[Sigma]= 244.745892 meV Z= 1.037373 lam= -0.036027 E( 4 )= -1.4850 eV Re[Sigma]= 167.813132 meV Im[Sigma]= 320.508673 meV Z= 1.089642 lam= -0.082267 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.0219 eV Re[Sigma]= -81.421405 meV Im[Sigma]= 247.230715 meV Z= 1.050419 lam= -0.047999 E( 2 )= -7.4953 eV Re[Sigma]= -30.822303 meV Im[Sigma]= 219.393322 meV Z= 1.053493 lam= -0.050777 E( 3 )= -6.1421 eV Re[Sigma]= 33.653578 meV Im[Sigma]= 126.504445 meV Z= 0.986069 lam= 0.014128 E( 4 )= -2.6245 eV Re[Sigma]= 62.924539 meV Im[Sigma]= 315.262478 meV Z= 1.074329 lam= -0.069186 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.252526 meV Im[Sigma]= 270.913488 meV Z= 1.050657 lam= -0.048214 E( 2 )= -7.3701 eV Re[Sigma]= -20.053824 meV Im[Sigma]= 193.370188 meV Z= 1.037394 lam= -0.036046 E( 3 )= -4.6413 eV Re[Sigma]= 15.374323 meV Im[Sigma]= 179.514869 meV Z= 1.019696 lam= -0.019316 E( 4 )= -3.4814 eV Re[Sigma]= 24.492463 meV Im[Sigma]= 222.498632 meV Z= 1.031845 lam= -0.030862 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.9694 eV Re[Sigma]= -183.021103 meV Im[Sigma]= 231.203232 meV Z= 1.023297 lam= -0.022766 E( 2 )= -5.4186 eV Re[Sigma]= -25.458262 meV Im[Sigma]= 176.200669 meV Z= 1.011245 lam= -0.011120 E( 3 )= -3.0665 eV Re[Sigma]= 38.869998 meV Im[Sigma]= 275.917929 meV Z= 1.056300 lam= -0.053299 E( 4 )= -3.0665 eV Re[Sigma]= 36.845792 meV Im[Sigma]= 275.405205 meV Z= 1.056074 lam= -0.053097 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.040960 meV Im[Sigma]= 177.314160 meV Z= 1.025202 lam= -0.024583 E( 2 )= -5.0893 eV Re[Sigma]= -21.021321 meV Im[Sigma]= 199.329952 meV Z= 1.025964 lam= -0.025307 E( 3 )= -1.9911 eV Re[Sigma]= 123.052806 meV Im[Sigma]= 357.696651 meV Z= 1.114819 lam= -0.102994 E( 4 )= -1.7453 eV Re[Sigma]= 147.803792 meV Im[Sigma]= 350.593942 meV Z= 1.110136 lam= -0.099209 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.074032 meV Im[Sigma]= 268.831197 meV Z= 1.066516 lam= -0.062368 E( 2 )= -7.5294 eV Re[Sigma]= -12.455288 meV Im[Sigma]= 206.038556 meV Z= 1.049751 lam= -0.047393 E( 3 )= -3.4617 eV Re[Sigma]= 23.567948 meV Im[Sigma]= 242.557597 meV Z= 1.036926 lam= -0.035611 E( 4 )= -1.4850 eV Re[Sigma]= 166.751303 meV Im[Sigma]= 318.687380 meV Z= 1.089100 lam= -0.081811 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -137.289521 meV Im[Sigma]= 298.336476 meV Z= 1.078727 lam= -0.072981 E( 2 )= -8.4181 eV Re[Sigma]= -27.519165 meV Im[Sigma]= 148.145756 meV Z= 1.002909 lam= -0.002901 E( 3 )= -2.9817 eV Re[Sigma]= 42.210549 meV Im[Sigma]= 291.975145 meV Z= 1.060462 lam= -0.057014 E( 4 )= -2.2693 eV Re[Sigma]= 89.521810 meV Im[Sigma]= 336.561553 meV Z= 1.099955 lam= -0.090872 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -84.053891 meV Im[Sigma]= 237.816583 meV Z= 1.045321 lam= -0.043356 E( 2 )= -7.9088 eV Re[Sigma]= -32.386590 meV Im[Sigma]= 205.089981 meV Z= 1.046299 lam= -0.044251 E( 3 )= -5.2372 eV Re[Sigma]= -1.395611 meV Im[Sigma]= 170.066369 meV Z= 1.016101 lam= -0.015846 E( 4 )= -3.1301 eV Re[Sigma]= 40.300177 meV Im[Sigma]= 255.317113 meV Z= 1.049522 lam= -0.047186 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -10.5169 eV Re[Sigma]= -75.214553 meV Im[Sigma]= 154.376940 meV Z= 0.986409 lam= 0.013778 E( 2 )= -7.6803 eV Re[Sigma]= -41.060151 meV Im[Sigma]= 191.379665 meV Z= 1.045114 lam= -0.043167 E( 3 )= -5.4004 eV Re[Sigma]= 4.491410 meV Im[Sigma]= 147.531196 meV Z= 1.005099 lam= -0.005074 E( 4 )= -4.2518 eV Re[Sigma]= 34.361177 meV Im[Sigma]= 176.000182 meV Z= 1.013549 lam= -0.013367 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.900141 meV Im[Sigma]= 267.548593 meV Z= 1.049752 lam= -0.047394 E( 2 )= -7.3701 eV Re[Sigma]= -18.456771 meV Im[Sigma]= 188.748109 meV Z= 1.036062 lam= -0.034807 E( 3 )= -4.6413 eV Re[Sigma]= 16.532235 meV Im[Sigma]= 177.586192 meV Z= 1.019031 lam= -0.018676 E( 4 )= -3.4814 eV Re[Sigma]= 27.736980 meV Im[Sigma]= 225.006862 meV Z= 1.032040 lam= -0.031045 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.295128 meV Im[Sigma]= 285.686828 meV Z= 1.079969 lam= -0.074047 E( 2 )= -6.5385 eV Re[Sigma]= -20.061117 meV Im[Sigma]= 148.203108 meV Z= 0.994395 lam= 0.005637 E( 3 )= -4.4503 eV Re[Sigma]= 16.428895 meV Im[Sigma]= 187.980604 meV Z= 1.018538 lam= -0.018201 E( 4 )= -2.3570 eV Re[Sigma]= 82.932347 meV Im[Sigma]= 337.072911 meV Z= 1.095467 lam= -0.087148 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -11.0219 eV Re[Sigma]= -83.048811 meV Im[Sigma]= 240.236672 meV Z= 1.046970 lam= -0.044863 E( 2 )= -7.4953 eV Re[Sigma]= -31.975757 meV Im[Sigma]= 215.027864 meV Z= 1.052400 lam= -0.049791 E( 3 )= -6.1421 eV Re[Sigma]= 34.445553 meV Im[Sigma]= 126.238324 meV Z= 0.986426 lam= 0.013760 E( 4 )= -2.6245 eV Re[Sigma]= 63.260293 meV Im[Sigma]= 314.818044 meV Z= 1.073810 lam= -0.068737 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -82.876394 meV Im[Sigma]= 234.983226 meV Z= 1.043560 lam= -0.041742 E( 2 )= -7.9088 eV Re[Sigma]= -29.902010 meV Im[Sigma]= 203.481036 meV Z= 1.045547 lam= -0.043562 E( 3 )= -5.2372 eV Re[Sigma]= -1.649993 meV Im[Sigma]= 171.160129 meV Z= 1.016844 lam= -0.016565 E( 4 )= -3.1301 eV Re[Sigma]= 42.009709 meV Im[Sigma]= 255.809015 meV Z= 1.049064 lam= -0.046769 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.0219 eV Re[Sigma]= -81.421401 meV Im[Sigma]= 247.230713 meV Z= 1.050419 lam= -0.047999 E( 2 )= -7.4953 eV Re[Sigma]= -30.822304 meV Im[Sigma]= 219.393322 meV Z= 1.053493 lam= -0.050777 E( 3 )= -6.1421 eV Re[Sigma]= 33.653578 meV Im[Sigma]= 126.504446 meV Z= 0.986069 lam= 0.014128 E( 4 )= -2.6245 eV Re[Sigma]= 62.924540 meV Im[Sigma]= 315.262458 meV Z= 1.074329 lam= -0.069186 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -82.876167 meV Im[Sigma]= 234.984214 meV Z= 1.043561 lam= -0.041742 E( 2 )= -7.9088 eV Re[Sigma]= -29.902214 meV Im[Sigma]= 203.480343 meV Z= 1.045546 lam= -0.043562 E( 3 )= -5.2372 eV Re[Sigma]= -1.650099 meV Im[Sigma]= 171.161463 meV Z= 1.016845 lam= -0.016566 E( 4 )= -3.1301 eV Re[Sigma]= 42.011522 meV Im[Sigma]= 255.809853 meV Z= 1.049064 lam= -0.046769 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.0219 eV Re[Sigma]= -83.048386 meV Im[Sigma]= 240.238298 meV Z= 1.046971 lam= -0.044863 E( 2 )= -7.4953 eV Re[Sigma]= -31.976455 meV Im[Sigma]= 215.030748 meV Z= 1.052401 lam= -0.049792 E( 3 )= -6.1421 eV Re[Sigma]= 34.445235 meV Im[Sigma]= 126.238321 meV Z= 0.986426 lam= 0.013760 E( 4 )= -2.6245 eV Re[Sigma]= 63.260767 meV Im[Sigma]= 314.818493 meV Z= 1.073810 lam= -0.068737 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -85.520178 meV Im[Sigma]= 230.829702 meV Z= 1.041874 lam= -0.040191 E( 2 )= -7.9088 eV Re[Sigma]= -30.312288 meV Im[Sigma]= 196.830112 meV Z= 1.043062 lam= -0.041285 E( 3 )= -5.2372 eV Re[Sigma]= -2.479821 meV Im[Sigma]= 169.158479 meV Z= 1.015382 lam= -0.015149 E( 4 )= -3.1301 eV Re[Sigma]= 42.907601 meV Im[Sigma]= 257.592468 meV Z= 1.048651 lam= -0.046394 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.900853 meV Im[Sigma]= 267.548276 meV Z= 1.049752 lam= -0.047394 E( 2 )= -7.3701 eV Re[Sigma]= -18.457043 meV Im[Sigma]= 188.745815 meV Z= 1.036061 lam= -0.034806 E( 3 )= -4.6413 eV Re[Sigma]= 16.532666 meV Im[Sigma]= 177.585137 meV Z= 1.019031 lam= -0.018676 E( 4 )= -3.4814 eV Re[Sigma]= 27.734074 meV Im[Sigma]= 225.003688 meV Z= 1.032037 lam= -0.031043 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -10.5169 eV Re[Sigma]= -75.214220 meV Im[Sigma]= 154.376473 meV Z= 0.986409 lam= 0.013778 E( 2 )= -7.6803 eV Re[Sigma]= -41.060602 meV Im[Sigma]= 191.377511 meV Z= 1.045113 lam= -0.043165 E( 3 )= -5.4004 eV Re[Sigma]= 4.491045 meV Im[Sigma]= 147.532364 meV Z= 1.005100 lam= -0.005074 E( 4 )= -4.2518 eV Re[Sigma]= 34.361283 meV Im[Sigma]= 176.002047 meV Z= 1.013549 lam= -0.013368 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -84.053878 meV Im[Sigma]= 237.816582 meV Z= 1.045321 lam= -0.043356 E( 2 )= -7.9088 eV Re[Sigma]= -32.386592 meV Im[Sigma]= 205.089985 meV Z= 1.046299 lam= -0.044251 E( 3 )= -5.2372 eV Re[Sigma]= -1.395612 meV Im[Sigma]= 170.066372 meV Z= 1.016101 lam= -0.015846 E( 4 )= -3.1301 eV Re[Sigma]= 40.300164 meV Im[Sigma]= 255.317098 meV Z= 1.049522 lam= -0.047186 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -137.287230 meV Im[Sigma]= 298.338733 meV Z= 1.078729 lam= -0.072983 E( 2 )= -8.4181 eV Re[Sigma]= -27.519559 meV Im[Sigma]= 148.144779 meV Z= 1.002908 lam= -0.002899 E( 3 )= -2.9817 eV Re[Sigma]= 42.213440 meV Im[Sigma]= 291.976759 meV Z= 1.060462 lam= -0.057015 E( 4 )= -2.2693 eV Re[Sigma]= 89.524393 meV Im[Sigma]= 336.557573 meV Z= 1.099953 lam= -0.090870 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.072776 meV Im[Sigma]= 268.832813 meV Z= 1.066517 lam= -0.062369 E( 2 )= -7.5294 eV Re[Sigma]= -12.457066 meV Im[Sigma]= 206.042168 meV Z= 1.049753 lam= -0.047395 E( 3 )= -3.4617 eV Re[Sigma]= 23.571220 meV Im[Sigma]= 242.558542 meV Z= 1.036928 lam= -0.035612 E( 4 )= -1.4850 eV Re[Sigma]= 166.752794 meV Im[Sigma]= 318.683738 meV Z= 1.089097 lam= -0.081808 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.295586 meV Im[Sigma]= 285.686631 meV Z= 1.079968 lam= -0.074047 E( 2 )= -6.5385 eV Re[Sigma]= -20.061609 meV Im[Sigma]= 148.203865 meV Z= 0.994395 lam= 0.005637 E( 3 )= -4.4503 eV Re[Sigma]= 16.429424 meV Im[Sigma]= 187.979627 meV Z= 1.018538 lam= -0.018201 E( 4 )= -2.3570 eV Re[Sigma]= 82.933218 meV Im[Sigma]= 337.073345 meV Z= 1.095468 lam= -0.087148 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.9694 eV Re[Sigma]= -183.021683 meV Im[Sigma]= 231.201521 meV Z= 1.023296 lam= -0.022766 E( 2 )= -5.4186 eV Re[Sigma]= -25.458279 meV Im[Sigma]= 176.201586 meV Z= 1.011246 lam= -0.011121 E( 3 )= -3.0665 eV Re[Sigma]= 38.042660 meV Im[Sigma]= 275.706799 meV Z= 1.056207 lam= -0.053216 E( 4 )= -3.0665 eV Re[Sigma]= 37.672393 meV Im[Sigma]= 275.612384 meV Z= 1.056166 lam= -0.053179 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.252159 meV Im[Sigma]= 270.914694 meV Z= 1.050657 lam= -0.048215 E( 2 )= -7.3701 eV Re[Sigma]= -20.055310 meV Im[Sigma]= 193.369993 meV Z= 1.037394 lam= -0.036046 E( 3 )= -4.6413 eV Re[Sigma]= 15.374420 meV Im[Sigma]= 179.516965 meV Z= 1.019697 lam= -0.019317 E( 4 )= -3.4814 eV Re[Sigma]= 24.494232 meV Im[Sigma]= 222.499600 meV Z= 1.031846 lam= -0.030863 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.0219 eV Re[Sigma]= -81.421410 meV Im[Sigma]= 247.230712 meV Z= 1.050419 lam= -0.047999 E( 2 )= -7.4953 eV Re[Sigma]= -30.822302 meV Im[Sigma]= 219.393324 meV Z= 1.053493 lam= -0.050777 E( 3 )= -6.1421 eV Re[Sigma]= 33.653578 meV Im[Sigma]= 126.504442 meV Z= 0.986069 lam= 0.014128 E( 4 )= -2.6245 eV Re[Sigma]= 62.924538 meV Im[Sigma]= 315.262479 meV Z= 1.074329 lam= -0.069186 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.480166 meV Im[Sigma]= 272.239887 meV Z= 1.067673 lam= -0.063383 E( 2 )= -7.5294 eV Re[Sigma]= -10.664009 meV Im[Sigma]= 204.786698 meV Z= 1.049226 lam= -0.046917 E( 3 )= -3.4617 eV Re[Sigma]= 26.230812 meV Im[Sigma]= 244.745440 meV Z= 1.037374 lam= -0.036027 E( 4 )= -1.4850 eV Re[Sigma]= 167.813532 meV Im[Sigma]= 320.508168 meV Z= 1.089641 lam= -0.082267 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.6846 eV Re[Sigma]= -197.664071 meV Im[Sigma]= 180.567040 meV Z= 1.019693 lam= -0.019313 E( 2 )= -6.6106 eV Re[Sigma]= -2.724322 meV Im[Sigma]= 146.306609 meV Z= 0.994023 lam= 0.006013 E( 3 )= -1.2665 eV Re[Sigma]= 189.528112 meV Im[Sigma]= 295.429943 meV Z= 1.070144 lam= -0.065546 E( 4 )= -1.2665 eV Re[Sigma]= 189.107590 meV Im[Sigma]= 291.043511 meV Z= 1.068289 lam= -0.063923 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.040416 meV Im[Sigma]= 177.313934 meV Z= 1.025202 lam= -0.024582 E( 2 )= -5.0893 eV Re[Sigma]= -21.021296 meV Im[Sigma]= 199.330063 meV Z= 1.025964 lam= -0.025307 E( 3 )= -1.9911 eV Re[Sigma]= 123.056428 meV Im[Sigma]= 357.683945 meV Z= 1.114813 lam= -0.102989 E( 4 )= -1.7453 eV Re[Sigma]= 147.804701 meV Im[Sigma]= 350.590093 meV Z= 1.110133 lam= -0.099207 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.759475 meV Im[Sigma]= 178.946936 meV Z= 1.026311 lam= -0.025637 E( 2 )= -5.0893 eV Re[Sigma]= -20.996413 meV Im[Sigma]= 196.990289 meV Z= 1.025595 lam= -0.024956 E( 3 )= -1.9911 eV Re[Sigma]= 123.357105 meV Im[Sigma]= 356.038095 meV Z= 1.114002 lam= -0.102336 E( 4 )= -1.7453 eV Re[Sigma]= 148.676557 meV Im[Sigma]= 348.111853 meV Z= 1.109262 lam= -0.098499 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.936806 meV Im[Sigma]= 290.137443 meV Z= 1.081655 lam= -0.075491 E( 2 )= -6.5385 eV Re[Sigma]= -18.086197 meV Im[Sigma]= 150.055869 meV Z= 0.995071 lam= 0.004953 E( 3 )= -4.4503 eV Re[Sigma]= 15.823431 meV Im[Sigma]= 188.966428 meV Z= 1.019061 lam= -0.018704 E( 4 )= -2.3570 eV Re[Sigma]= 83.420558 meV Im[Sigma]= 335.159445 meV Z= 1.094809 lam= -0.086598 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -84.053881 meV Im[Sigma]= 237.816584 meV Z= 1.045321 lam= -0.043356 E( 2 )= -7.9088 eV Re[Sigma]= -32.386596 meV Im[Sigma]= 205.089983 meV Z= 1.046299 lam= -0.044251 E( 3 )= -5.2372 eV Re[Sigma]= -1.395619 meV Im[Sigma]= 170.066368 meV Z= 1.016101 lam= -0.015846 E( 4 )= -3.1301 eV Re[Sigma]= 40.300167 meV Im[Sigma]= 255.317115 meV Z= 1.049522 lam= -0.047186 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.936008 meV Im[Sigma]= 290.137950 meV Z= 1.081655 lam= -0.075491 E( 2 )= -6.5385 eV Re[Sigma]= -18.086298 meV Im[Sigma]= 150.055787 meV Z= 0.995071 lam= 0.004953 E( 3 )= -4.4503 eV Re[Sigma]= 15.823293 meV Im[Sigma]= 188.967813 meV Z= 1.019061 lam= -0.018705 E( 4 )= -2.3570 eV Re[Sigma]= 83.419370 meV Im[Sigma]= 335.161496 meV Z= 1.094810 lam= -0.086599 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.758905 meV Im[Sigma]= 178.950419 meV Z= 1.026313 lam= -0.025639 E( 2 )= -5.0893 eV Re[Sigma]= -20.996800 meV Im[Sigma]= 196.990700 meV Z= 1.025595 lam= -0.024956 E( 3 )= -1.9911 eV Re[Sigma]= 123.360296 meV Im[Sigma]= 356.029132 meV Z= 1.113998 lam= -0.102332 E( 4 )= -1.7453 eV Re[Sigma]= 148.676138 meV Im[Sigma]= 348.111802 meV Z= 1.109260 lam= -0.098498 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -14.3745 eV Re[Sigma]= -217.811591 meV Im[Sigma]= 150.895637 meV Z= 1.010167 lam= -0.010065 E( 2 )= -4.0806 eV Re[Sigma]= -7.445255 meV Im[Sigma]= 243.590139 meV Z= 1.019500 lam= -0.019127 E( 3 )= -2.2746 eV Re[Sigma]= 96.587833 meV Im[Sigma]= 352.914974 meV Z= 1.105509 lam= -0.095439 E( 4 )= -0.6189 eV Re[Sigma]= 224.316348 meV Im[Sigma]= 182.009598 meV Z= 1.015446 lam= -0.015211 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -15.3226 eV Re[Sigma]= -223.995063 meV Im[Sigma]= 87.927673 meV Z= 0.995272 lam= 0.004750 E( 2 )= -2.2204 eV Re[Sigma]= 101.015470 meV Im[Sigma]= 392.538691 meV Z= 1.122723 lam= -0.109308 E( 3 )= -0.6014 eV Re[Sigma]= 230.741269 meV Im[Sigma]= 186.451057 meV Z= 1.016420 lam= -0.016155 E( 4 )= -0.6014 eV Re[Sigma]= 228.290193 meV Im[Sigma]= 175.570620 meV Z= 1.011635 lam= -0.011501 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -14.3745 eV Re[Sigma]= -217.811590 meV Im[Sigma]= 150.895638 meV Z= 1.010167 lam= -0.010065 E( 2 )= -4.0806 eV Re[Sigma]= -7.445256 meV Im[Sigma]= 243.590143 meV Z= 1.019500 lam= -0.019127 E( 3 )= -2.2746 eV Re[Sigma]= 96.587831 meV Im[Sigma]= 352.914951 meV Z= 1.105509 lam= -0.095439 E( 4 )= -0.6189 eV Re[Sigma]= 224.316366 meV Im[Sigma]= 182.009602 meV Z= 1.015446 lam= -0.015211 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.480155 meV Im[Sigma]= 272.239886 meV Z= 1.067673 lam= -0.063383 E( 2 )= -7.5294 eV Re[Sigma]= -10.664018 meV Im[Sigma]= 204.786701 meV Z= 1.049226 lam= -0.046917 E( 3 )= -3.4617 eV Re[Sigma]= 26.230809 meV Im[Sigma]= 244.745441 meV Z= 1.037374 lam= -0.036027 E( 4 )= -1.4850 eV Re[Sigma]= 167.813529 meV Im[Sigma]= 320.508159 meV Z= 1.089641 lam= -0.082267 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -137.289524 meV Im[Sigma]= 298.336474 meV Z= 1.078727 lam= -0.072981 E( 2 )= -8.4181 eV Re[Sigma]= -27.519161 meV Im[Sigma]= 148.145764 meV Z= 1.002909 lam= -0.002901 E( 3 )= -2.9817 eV Re[Sigma]= 42.210543 meV Im[Sigma]= 291.975169 meV Z= 1.060462 lam= -0.057014 E( 4 )= -2.2693 eV Re[Sigma]= 89.521803 meV Im[Sigma]= 336.561544 meV Z= 1.099955 lam= -0.090872 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.040958 meV Im[Sigma]= 177.314160 meV Z= 1.025202 lam= -0.024583 E( 2 )= -5.0893 eV Re[Sigma]= -21.021300 meV Im[Sigma]= 199.329920 meV Z= 1.025964 lam= -0.025307 E( 3 )= -1.9911 eV Re[Sigma]= 123.052808 meV Im[Sigma]= 357.696665 meV Z= 1.114819 lam= -0.102994 E( 4 )= -1.7453 eV Re[Sigma]= 147.803799 meV Im[Sigma]= 350.593983 meV Z= 1.110136 lam= -0.099209 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -15.1744 eV Re[Sigma]= -223.338997 meV Im[Sigma]= 97.845807 meV Z= 0.995803 lam= 0.004215 E( 2 )= -1.7543 eV Re[Sigma]= 153.771572 meV Im[Sigma]= 380.345218 meV Z= 1.124384 lam= -0.110624 E( 3 )= -1.1893 eV Re[Sigma]= 203.580040 meV Im[Sigma]= 288.325691 meV Z= 1.062970 lam= -0.059240 E( 4 )= -1.1893 eV Re[Sigma]= 203.670831 meV Im[Sigma]= 289.633272 meV Z= 1.063304 lam= -0.059535 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -14.3745 eV Re[Sigma]= -215.952057 meV Im[Sigma]= 147.988256 meV Z= 1.009036 lam= -0.008955 E( 2 )= -4.0806 eV Re[Sigma]= -9.982220 meV Im[Sigma]= 242.986628 meV Z= 1.019647 lam= -0.019268 E( 3 )= -2.2746 eV Re[Sigma]= 97.297415 meV Im[Sigma]= 350.701711 meV Z= 1.103681 lam= -0.093941 E( 4 )= -0.6189 eV Re[Sigma]= 224.007052 meV Im[Sigma]= 185.539370 meV Z= 1.017490 lam= -0.017189 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.040960 meV Im[Sigma]= 177.314160 meV Z= 1.025202 lam= -0.024583 E( 2 )= -5.0893 eV Re[Sigma]= -21.021318 meV Im[Sigma]= 199.329942 meV Z= 1.025964 lam= -0.025307 E( 3 )= -1.9911 eV Re[Sigma]= 123.052815 meV Im[Sigma]= 357.696688 meV Z= 1.114819 lam= -0.102994 E( 4 )= -1.7453 eV Re[Sigma]= 147.803792 meV Im[Sigma]= 350.593948 meV Z= 1.110136 lam= -0.099209 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.936008 meV Im[Sigma]= 290.137957 meV Z= 1.081655 lam= -0.075491 E( 2 )= -6.5385 eV Re[Sigma]= -18.086312 meV Im[Sigma]= 150.055805 meV Z= 0.995071 lam= 0.004953 E( 3 )= -4.4503 eV Re[Sigma]= 15.823299 meV Im[Sigma]= 188.967803 meV Z= 1.019061 lam= -0.018705 E( 4 )= -2.3570 eV Re[Sigma]= 83.419370 meV Im[Sigma]= 335.161477 meV Z= 1.094810 lam= -0.086599 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -82.876413 meV Im[Sigma]= 234.983229 meV Z= 1.043560 lam= -0.041742 E( 2 )= -7.9088 eV Re[Sigma]= -29.901995 meV Im[Sigma]= 203.481041 meV Z= 1.045547 lam= -0.043562 E( 3 )= -5.2372 eV Re[Sigma]= -1.649994 meV Im[Sigma]= 171.160148 meV Z= 1.016844 lam= -0.016565 E( 4 )= -3.1301 eV Re[Sigma]= 42.009702 meV Im[Sigma]= 255.809009 meV Z= 1.049064 lam= -0.046769 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.295130 meV Im[Sigma]= 285.686825 meV Z= 1.079969 lam= -0.074047 E( 2 )= -6.5385 eV Re[Sigma]= -20.061110 meV Im[Sigma]= 148.203095 meV Z= 0.994395 lam= 0.005637 E( 3 )= -4.4503 eV Re[Sigma]= 16.428900 meV Im[Sigma]= 187.980592 meV Z= 1.018538 lam= -0.018201 E( 4 )= -2.3570 eV Re[Sigma]= 82.932345 meV Im[Sigma]= 337.072940 meV Z= 1.095467 lam= -0.087148 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -201.047790 meV Im[Sigma]= 175.366372 meV Z= 1.024655 lam= -0.024062 E( 2 )= -5.0893 eV Re[Sigma]= -22.701331 meV Im[Sigma]= 195.269403 meV Z= 1.024937 lam= -0.024330 E( 3 )= -1.9911 eV Re[Sigma]= 122.869365 meV Im[Sigma]= 360.044133 meV Z= 1.116201 lam= -0.104104 E( 4 )= -1.7453 eV Re[Sigma]= 147.323043 meV Im[Sigma]= 350.520743 meV Z= 1.110207 lam= -0.099267 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -170.877861 meV Im[Sigma]= 263.993041 meV Z= 1.064098 lam= -0.060237 E( 2 )= -7.5294 eV Re[Sigma]= -10.788907 meV Im[Sigma]= 199.124709 meV Z= 1.047637 lam= -0.045471 E( 3 )= -3.4617 eV Re[Sigma]= 25.270049 meV Im[Sigma]= 246.341772 meV Z= 1.037337 lam= -0.035994 E( 4 )= -1.4850 eV Re[Sigma]= 167.274844 meV Im[Sigma]= 322.676229 meV Z= 1.090636 lam= -0.083104 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.295130 meV Im[Sigma]= 285.686824 meV Z= 1.079969 lam= -0.074047 E( 2 )= -6.5385 eV Re[Sigma]= -20.061119 meV Im[Sigma]= 148.203102 meV Z= 0.994395 lam= 0.005637 E( 3 )= -4.4503 eV Re[Sigma]= 16.428891 meV Im[Sigma]= 187.980614 meV Z= 1.018538 lam= -0.018201 E( 4 )= -2.3570 eV Re[Sigma]= 82.932353 meV Im[Sigma]= 337.072936 meV Z= 1.095467 lam= -0.087148 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.252531 meV Im[Sigma]= 270.913494 meV Z= 1.050657 lam= -0.048214 E( 2 )= -7.3701 eV Re[Sigma]= -20.053832 meV Im[Sigma]= 193.370198 meV Z= 1.037394 lam= -0.036046 E( 3 )= -4.6413 eV Re[Sigma]= 15.374324 meV Im[Sigma]= 179.514850 meV Z= 1.019696 lam= -0.019316 E( 4 )= -3.4814 eV Re[Sigma]= 24.492469 meV Im[Sigma]= 222.498639 meV Z= 1.031845 lam= -0.030862 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -10.5169 eV Re[Sigma]= -75.214244 meV Im[Sigma]= 154.376468 meV Z= 0.986409 lam= 0.013778 E( 2 )= -7.6803 eV Re[Sigma]= -41.060593 meV Im[Sigma]= 191.377508 meV Z= 1.045113 lam= -0.043165 E( 3 )= -5.4004 eV Re[Sigma]= 4.491048 meV Im[Sigma]= 147.532363 meV Z= 1.005100 lam= -0.005074 E( 4 )= -4.2518 eV Re[Sigma]= 34.361280 meV Im[Sigma]= 176.002047 meV Z= 1.013549 lam= -0.013368 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -85.520174 meV Im[Sigma]= 230.829697 meV Z= 1.041874 lam= -0.040191 E( 2 )= -7.9088 eV Re[Sigma]= -30.312291 meV Im[Sigma]= 196.830111 meV Z= 1.043062 lam= -0.041285 E( 3 )= -5.2372 eV Re[Sigma]= -2.479813 meV Im[Sigma]= 169.158471 meV Z= 1.015382 lam= -0.015149 E( 4 )= -3.1301 eV Re[Sigma]= 42.907585 meV Im[Sigma]= 257.592463 meV Z= 1.048651 lam= -0.046394 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -136.930326 meV Im[Sigma]= 289.843514 meV Z= 1.074753 lam= -0.069553 E( 2 )= -8.4181 eV Re[Sigma]= -24.131237 meV Im[Sigma]= 141.910135 meV Z= 1.001587 lam= -0.001585 E( 3 )= -2.9817 eV Re[Sigma]= 41.422031 meV Im[Sigma]= 292.831514 meV Z= 1.060071 lam= -0.056667 E( 4 )= -2.2693 eV Re[Sigma]= 91.268365 meV Im[Sigma]= 336.776060 meV Z= 1.099796 lam= -0.090741 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -136.933025 meV Im[Sigma]= 289.841953 meV Z= 1.074751 lam= -0.069552 E( 2 )= -8.4181 eV Re[Sigma]= -24.130064 meV Im[Sigma]= 141.908590 meV Z= 1.001587 lam= -0.001585 E( 3 )= -2.9817 eV Re[Sigma]= 41.420049 meV Im[Sigma]= 292.830709 meV Z= 1.060071 lam= -0.056667 E( 4 )= -2.2693 eV Re[Sigma]= 91.265321 meV Im[Sigma]= 336.778897 meV Z= 1.099798 lam= -0.090742 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -85.520176 meV Im[Sigma]= 230.829697 meV Z= 1.041874 lam= -0.040191 E( 2 )= -7.9088 eV Re[Sigma]= -30.312286 meV Im[Sigma]= 196.830116 meV Z= 1.043062 lam= -0.041285 E( 3 )= -5.2372 eV Re[Sigma]= -2.479826 meV Im[Sigma]= 169.158486 meV Z= 1.015382 lam= -0.015149 E( 4 )= -3.1301 eV Re[Sigma]= 42.907592 meV Im[Sigma]= 257.592466 meV Z= 1.048651 lam= -0.046394 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -10.5169 eV Re[Sigma]= -75.214547 meV Im[Sigma]= 154.376948 meV Z= 0.986409 lam= 0.013778 E( 2 )= -7.6803 eV Re[Sigma]= -41.060160 meV Im[Sigma]= 191.379666 meV Z= 1.045114 lam= -0.043167 E( 3 )= -5.4004 eV Re[Sigma]= 4.491411 meV Im[Sigma]= 147.531189 meV Z= 1.005099 lam= -0.005074 E( 4 )= -4.2518 eV Re[Sigma]= 34.361171 meV Im[Sigma]= 176.000179 meV Z= 1.013549 lam= -0.013367 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -11.4343 eV Re[Sigma]= -93.252169 meV Im[Sigma]= 270.914697 meV Z= 1.050657 lam= -0.048215 E( 2 )= -7.3701 eV Re[Sigma]= -20.055309 meV Im[Sigma]= 193.369994 meV Z= 1.037394 lam= -0.036046 E( 3 )= -4.6413 eV Re[Sigma]= 15.374410 meV Im[Sigma]= 179.516977 meV Z= 1.019697 lam= -0.019317 E( 4 )= -3.4814 eV Re[Sigma]= 24.494234 meV Im[Sigma]= 222.499591 meV Z= 1.031846 lam= -0.030863 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.295584 meV Im[Sigma]= 285.686627 meV Z= 1.079968 lam= -0.074047 E( 2 )= -6.5385 eV Re[Sigma]= -20.061612 meV Im[Sigma]= 148.203862 meV Z= 0.994395 lam= 0.005637 E( 3 )= -4.4503 eV Re[Sigma]= 16.429428 meV Im[Sigma]= 187.979633 meV Z= 1.018538 lam= -0.018201 E( 4 )= -2.3570 eV Re[Sigma]= 82.933212 meV Im[Sigma]= 337.073357 meV Z= 1.095468 lam= -0.087148 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -170.880111 meV Im[Sigma]= 263.991293 meV Z= 1.064097 lam= -0.060236 E( 2 )= -7.5294 eV Re[Sigma]= -10.787803 meV Im[Sigma]= 199.120425 meV Z= 1.047635 lam= -0.045469 E( 3 )= -3.4617 eV Re[Sigma]= 25.268727 meV Im[Sigma]= 246.339537 meV Z= 1.037336 lam= -0.035992 E( 4 )= -1.4850 eV Re[Sigma]= 167.273733 meV Im[Sigma]= 322.677918 meV Z= 1.090637 lam= -0.083105 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -201.047615 meV Im[Sigma]= 175.365244 meV Z= 1.024655 lam= -0.024062 E( 2 )= -5.0893 eV Re[Sigma]= -22.699641 meV Im[Sigma]= 195.269720 meV Z= 1.024937 lam= -0.024331 E( 3 )= -1.9911 eV Re[Sigma]= 122.864456 meV Im[Sigma]= 360.052805 meV Z= 1.116205 lam= -0.104107 E( 4 )= -1.7453 eV Re[Sigma]= 147.322636 meV Im[Sigma]= 350.522786 meV Z= 1.110209 lam= -0.099269 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.295579 meV Im[Sigma]= 285.686626 meV Z= 1.079968 lam= -0.074047 E( 2 )= -6.5385 eV Re[Sigma]= -20.061611 meV Im[Sigma]= 148.203864 meV Z= 0.994395 lam= 0.005637 E( 3 )= -4.4503 eV Re[Sigma]= 16.429428 meV Im[Sigma]= 187.979621 meV Z= 1.018538 lam= -0.018201 E( 4 )= -2.3570 eV Re[Sigma]= 82.933219 meV Im[Sigma]= 337.073369 meV Z= 1.095468 lam= -0.087148 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -11.0077 eV Re[Sigma]= -82.876161 meV Im[Sigma]= 234.984221 meV Z= 1.043561 lam= -0.041742 E( 2 )= -7.9088 eV Re[Sigma]= -29.902223 meV Im[Sigma]= 203.480345 meV Z= 1.045546 lam= -0.043562 E( 3 )= -5.2372 eV Re[Sigma]= -1.650093 meV Im[Sigma]= 171.161453 meV Z= 1.016845 lam= -0.016566 E( 4 )= -3.1301 eV Re[Sigma]= 42.011516 meV Im[Sigma]= 255.809875 meV Z= 1.049064 lam= -0.046769 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.2739 eV Re[Sigma]= -148.936816 meV Im[Sigma]= 290.137455 meV Z= 1.081655 lam= -0.075491 E( 2 )= -6.5385 eV Re[Sigma]= -18.086195 meV Im[Sigma]= 150.055871 meV Z= 0.995071 lam= 0.004953 E( 3 )= -4.4503 eV Re[Sigma]= 15.823421 meV Im[Sigma]= 188.966454 meV Z= 1.019061 lam= -0.018704 E( 4 )= -2.3570 eV Re[Sigma]= 83.420555 meV Im[Sigma]= 335.159447 meV Z= 1.094809 lam= -0.086598 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.040423 meV Im[Sigma]= 177.313934 meV Z= 1.025202 lam= -0.024582 E( 2 )= -5.0893 eV Re[Sigma]= -21.021308 meV Im[Sigma]= 199.330086 meV Z= 1.025964 lam= -0.025307 E( 3 )= -1.9911 eV Re[Sigma]= 123.056434 meV Im[Sigma]= 357.683966 meV Z= 1.114813 lam= -0.102989 E( 4 )= -1.7453 eV Re[Sigma]= 147.804701 meV Im[Sigma]= 350.590101 meV Z= 1.110133 lam= -0.099207 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -14.3745 eV Re[Sigma]= -215.951254 meV Im[Sigma]= 147.988255 meV Z= 1.009036 lam= -0.008955 E( 2 )= -4.0806 eV Re[Sigma]= -9.980456 meV Im[Sigma]= 242.986599 meV Z= 1.019647 lam= -0.019269 E( 3 )= -2.2746 eV Re[Sigma]= 97.297440 meV Im[Sigma]= 350.698391 meV Z= 1.103679 lam= -0.093939 E( 4 )= -0.6189 eV Re[Sigma]= 224.006812 meV Im[Sigma]= 185.539228 meV Z= 1.017490 lam= -0.017189 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -15.1744 eV Re[Sigma]= -223.338353 meV Im[Sigma]= 97.846617 meV Z= 0.995804 lam= 0.004214 E( 2 )= -1.7543 eV Re[Sigma]= 153.771144 meV Im[Sigma]= 380.345391 meV Z= 1.124384 lam= -0.110624 E( 3 )= -1.1893 eV Re[Sigma]= 203.663312 meV Im[Sigma]= 289.529573 meV Z= 1.063278 lam= -0.059512 E( 4 )= -1.1893 eV Re[Sigma]= 203.586495 meV Im[Sigma]= 288.425766 meV Z= 1.062995 lam= -0.059261 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -13.8262 eV Re[Sigma]= -202.040413 meV Im[Sigma]= 177.313931 meV Z= 1.025202 lam= -0.024582 E( 2 )= -5.0893 eV Re[Sigma]= -21.021294 meV Im[Sigma]= 199.330067 meV Z= 1.025964 lam= -0.025307 E( 3 )= -1.9911 eV Re[Sigma]= 123.056433 meV Im[Sigma]= 357.683960 meV Z= 1.114813 lam= -0.102989 E( 4 )= -1.7453 eV Re[Sigma]= 147.804700 meV Im[Sigma]= 350.590093 meV Z= 1.110133 lam= -0.099207 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -12.1268 eV Re[Sigma]= -137.287222 meV Im[Sigma]= 298.338732 meV Z= 1.078729 lam= -0.072983 E( 2 )= -8.4181 eV Re[Sigma]= -27.519577 meV Im[Sigma]= 148.144785 meV Z= 1.002908 lam= -0.002899 E( 3 )= -2.9817 eV Re[Sigma]= 42.213438 meV Im[Sigma]= 291.976760 meV Z= 1.060462 lam= -0.057015 E( 4 )= -2.2693 eV Re[Sigma]= 89.524394 meV Im[Sigma]= 336.557588 meV Z= 1.099953 lam= -0.090870 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -12.5779 eV Re[Sigma]= -172.482526 meV Im[Sigma]= 272.237870 meV Z= 1.067671 lam= -0.063382 E( 2 )= -7.5294 eV Re[Sigma]= -10.662584 meV Im[Sigma]= 204.783548 meV Z= 1.049226 lam= -0.046916 E( 3 )= -3.4617 eV Re[Sigma]= 26.230706 meV Im[Sigma]= 244.745893 meV Z= 1.037373 lam= -0.036027 E( 4 )= -1.4850 eV Re[Sigma]= 167.813129 meV Im[Sigma]= 320.508683 meV Z= 1.089642 lam= -0.082267 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -14.3745 eV Re[Sigma]= -217.811596 meV Im[Sigma]= 150.895637 meV Z= 1.010167 lam= -0.010065 E( 2 )= -4.0806 eV Re[Sigma]= -7.445252 meV Im[Sigma]= 243.590142 meV Z= 1.019500 lam= -0.019127 E( 3 )= -2.2746 eV Re[Sigma]= 96.587836 meV Im[Sigma]= 352.915008 meV Z= 1.105509 lam= -0.095439 E( 4 )= -0.6189 eV Re[Sigma]= 224.316361 meV Im[Sigma]= 182.009606 meV Z= 1.015446 lam= -0.015211 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -15.3226 eV Re[Sigma]= -223.994762 meV Im[Sigma]= 87.928424 meV Z= 0.995273 lam= 0.004750 E( 2 )= -2.2204 eV Re[Sigma]= 101.012716 meV Im[Sigma]= 392.553131 meV Z= 1.122730 lam= -0.109314 E( 3 )= -0.6014 eV Re[Sigma]= 229.699921 meV Im[Sigma]= 181.830484 meV Z= 1.014383 lam= -0.014179 E( 4 )= -0.6014 eV Re[Sigma]= 229.327635 meV Im[Sigma]= 180.178699 meV Z= 1.013657 lam= -0.013473 ------------------------------------------------------------------- 1 1 -15.7777 -224.1434 57.1470 0.9811 0.0193 2 1 -15.3226 -223.9948 87.9284 0.9953 0.0047 3 1 -13.6846 -197.6641 180.5670 1.0197 -0.0193 4 1 -12.4659 -158.5898 282.9930 1.0807 -0.0747 5 1 -13.6846 -197.6654 180.5629 1.0197 -0.0193 6 1 -15.3226 -223.9951 87.9277 0.9953 0.0048 7 1 -15.3226 -222.7954 87.8144 0.9956 0.0044 8 1 -15.1744 -223.3390 97.8458 0.9958 0.0042 9 1 -13.8262 -202.7589 178.9504 1.0263 -0.0256 10 1 -12.1268 -136.4254 299.4867 1.0793 -0.0735 11 1 -12.5779 -172.0740 268.8312 1.0665 -0.0624 12 1 -14.3745 -215.9521 147.9883 1.0090 -0.0090 13 1 -13.6846 -195.5606 177.0074 1.0190 -0.0186 14 1 -13.8262 -201.0478 175.3664 1.0247 -0.0241 15 1 -12.9694 -183.0211 231.2032 1.0233 -0.0228 16 1 -11.4343 -92.7997 271.2972 1.0512 -0.0487 17 1 -11.0219 -83.0488 240.2367 1.0470 -0.0449 18 1 -12.5779 -170.8779 263.9930 1.0641 -0.0602 19 1 -12.4659 -157.1539 271.5517 1.0743 -0.0691 20 1 -12.1268 -136.9303 289.8435 1.0748 -0.0696 21 1 -11.4343 -93.9001 267.5486 1.0498 -0.0474 22 1 -11.1466 -67.0000 238.9323 1.0483 -0.0461 23 1 -11.4343 -93.9008 267.5483 1.0498 -0.0474 24 1 -12.1268 -136.9330 289.8420 1.0748 -0.0696 25 1 -13.6846 -195.5615 177.0038 1.0190 -0.0186 26 1 -12.5779 -170.8801 263.9913 1.0641 -0.0602 27 1 -11.0219 -83.0484 240.2383 1.0470 -0.0449 28 1 -11.4343 -92.8016 271.2980 1.0512 -0.0487 29 1 -12.9694 -183.0217 231.2015 1.0233 -0.0228 30 1 -13.8262 -201.0476 175.3652 1.0247 -0.0241 31 1 -15.3226 -222.7949 87.8155 0.9956 0.0044 32 1 -14.3745 -215.9513 147.9883 1.0090 -0.0090 33 1 -12.5779 -172.0728 268.8328 1.0665 -0.0624 34 1 -12.1268 -136.4289 299.4856 1.0793 -0.0735 35 1 -13.8262 -202.7595 178.9469 1.0263 -0.0256 36 1 -15.1744 -223.3384 97.8466 0.9958 0.0042 37 1 -15.3226 -223.9948 87.9284 0.9953 0.0047 38 1 -15.1744 -223.3384 97.8466 0.9958 0.0042 39 1 -13.8262 -202.0404 177.3139 1.0252 -0.0246 40 1 -12.1268 -137.2872 298.3387 1.0787 -0.0730 41 1 -12.5779 -172.4825 272.2379 1.0677 -0.0634 42 1 -14.3745 -217.8116 150.8956 1.0102 -0.0101 43 1 -15.1744 -223.3390 97.8458 0.9958 0.0042 44 1 -15.3226 -223.9951 87.9277 0.9953 0.0048 45 1 -14.3745 -217.8116 150.8956 1.0102 -0.0101 46 1 -12.5779 -172.4802 272.2399 1.0677 -0.0634 47 1 -12.1268 -137.2895 298.3365 1.0787 -0.0730 48 1 -13.8262 -202.0410 177.3142 1.0252 -0.0246 49 1 -13.8262 -201.0478 175.3664 1.0247 -0.0241 50 1 -14.3745 -215.9521 147.9883 1.0090 -0.0090 51 1 -13.8262 -202.0410 177.3142 1.0252 -0.0246 52 1 -12.2739 -148.9360 290.1380 1.0817 -0.0755 53 1 -11.0077 -82.8764 234.9832 1.0436 -0.0417 54 1 -12.2739 -148.2951 285.6868 1.0800 -0.0740 55 1 -12.1268 -136.9303 289.8435 1.0748 -0.0696 56 1 -12.5779 -170.8779 263.9930 1.0641 -0.0602 57 1 -12.2739 -148.2951 285.6868 1.0800 -0.0740 58 1 -11.4343 -93.2525 270.9135 1.0507 -0.0482 59 1 -10.5169 -75.2142 154.3765 0.9864 0.0138 60 1 -11.0077 -85.5202 230.8297 1.0419 -0.0402 61 1 -12.5779 -170.8801 263.9913 1.0641 -0.0602 62 1 -12.1268 -136.9330 289.8420 1.0748 -0.0696 63 1 -11.0077 -85.5202 230.8297 1.0419 -0.0402 64 1 -10.5169 -75.2146 154.3769 0.9864 0.0138 65 1 -11.4343 -93.2522 270.9147 1.0507 -0.0482 66 1 -12.2739 -148.2956 285.6866 1.0800 -0.0740 67 1 -14.3745 -215.9513 147.9883 1.0090 -0.0090 68 1 -13.8262 -201.0476 175.3652 1.0247 -0.0241 69 1 -12.2739 -148.2956 285.6866 1.0800 -0.0740 70 1 -11.0077 -82.8762 234.9842 1.0436 -0.0417 71 1 -12.2739 -148.9368 290.1375 1.0817 -0.0755 72 1 -13.8262 -202.0404 177.3139 1.0252 -0.0246 73 1 -13.6846 -197.6641 180.5670 1.0197 -0.0193 74 1 -13.8262 -202.0404 177.3139 1.0252 -0.0246 75 1 -12.9694 -183.0217 231.2015 1.0233 -0.0228 76 1 -11.4343 -93.2522 270.9147 1.0507 -0.0482 77 1 -11.0219 -81.4214 247.2307 1.0504 -0.0480 78 1 -12.5779 -172.4802 272.2399 1.0677 -0.0634 79 1 -13.8262 -202.7589 178.9504 1.0263 -0.0256 80 1 -14.3745 -217.8116 150.8956 1.0102 -0.0101 81 1 -13.8262 -202.7595 178.9469 1.0263 -0.0256 82 1 -12.2739 -148.9368 290.1375 1.0817 -0.0755 83 1 -11.0077 -84.0539 237.8166 1.0453 -0.0434 84 1 -12.2739 -148.9360 290.1380 1.0817 -0.0755 85 1 -12.9694 -183.0211 231.2032 1.0233 -0.0228 86 1 -13.8262 -202.0410 177.3142 1.0252 -0.0246 87 1 -13.6846 -197.6654 180.5629 1.0197 -0.0193 88 1 -12.5779 -172.4825 272.2379 1.0677 -0.0634 89 1 -11.0219 -81.4214 247.2307 1.0504 -0.0480 90 1 -11.4343 -93.2525 270.9135 1.0507 -0.0482 91 1 -11.4343 -93.9001 267.5486 1.0498 -0.0474 92 1 -12.2739 -148.2951 285.6868 1.0800 -0.0740 93 1 -12.5779 -172.0740 268.8312 1.0665 -0.0624 94 1 -12.1268 -137.2895 298.3365 1.0787 -0.0730 95 1 -11.0077 -84.0539 237.8166 1.0453 -0.0434 96 1 -10.5169 -75.2145 154.3770 0.9864 0.0138 97 1 -11.0219 -83.0484 240.2383 1.0470 -0.0449 98 1 -11.0077 -85.5202 230.8297 1.0419 -0.0402 99 1 -11.0219 -83.0488 240.2367 1.0470 -0.0449 100 1 -11.0077 -82.8764 234.9832 1.0436 -0.0417 101 1 -11.0219 -81.4214 247.2307 1.0504 -0.0480 102 1 -11.0077 -82.8762 234.9842 1.0436 -0.0417 103 1 -12.5779 -172.0728 268.8328 1.0665 -0.0624 104 1 -12.2739 -148.2956 285.6866 1.0800 -0.0740 105 1 -11.4343 -93.9009 267.5483 1.0498 -0.0474 106 1 -10.5169 -75.2142 154.3765 0.9864 0.0138 107 1 -11.0077 -84.0539 237.8166 1.0453 -0.0434 108 1 -12.1268 -137.2872 298.3387 1.0787 -0.0730 109 1 -12.4659 -158.5897 282.9930 1.0807 -0.0747 110 1 -12.1268 -137.2872 298.3387 1.0787 -0.0730 111 1 -11.4343 -93.2522 270.9147 1.0507 -0.0482 112 1 -11.1466 -67.0000 238.9323 1.0483 -0.0461 113 1 -11.4343 -93.2525 270.9135 1.0507 -0.0482 114 1 -12.1268 -137.2895 298.3365 1.0787 -0.0730 115 1 -12.1268 -136.4254 299.4867 1.0793 -0.0735 116 1 -12.5779 -172.4801 272.2399 1.0677 -0.0634 117 1 -12.2739 -148.9368 290.1374 1.0817 -0.0755 118 1 -11.4343 -92.8016 271.2979 1.0512 -0.0487 119 1 -10.5169 -75.2146 154.3769 0.9864 0.0138 120 1 -11.0077 -82.8764 234.9832 1.0436 -0.0417 121 1 -11.4343 -92.7997 271.2972 1.0512 -0.0487 122 1 -12.2739 -148.9360 290.1380 1.0817 -0.0755 123 1 -12.5779 -172.4825 272.2379 1.0677 -0.0634 124 1 -12.1268 -136.4289 299.4856 1.0793 -0.0735 125 1 -11.0077 -82.8762 234.9842 1.0436 -0.0417 126 1 -10.5169 -75.2142 154.3765 0.9864 0.0138 127 1 -11.1466 -67.0000 238.9323 1.0483 -0.0461 128 1 -11.4343 -93.2525 270.9135 1.0507 -0.0482 129 1 -12.1268 -137.2895 298.3365 1.0787 -0.0730 130 1 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1.0252 -0.0246 151 1 -12.5779 -172.0740 268.8312 1.0665 -0.0624 152 1 -12.1268 -137.2895 298.3365 1.0787 -0.0730 153 1 -11.0077 -84.0539 237.8166 1.0453 -0.0434 154 1 -10.5169 -75.2146 154.3769 0.9864 0.0138 155 1 -11.4343 -93.9001 267.5486 1.0498 -0.0474 156 1 -12.2739 -148.2951 285.6868 1.0800 -0.0740 157 1 -11.0219 -83.0488 240.2367 1.0470 -0.0449 158 1 -11.0077 -82.8764 234.9832 1.0436 -0.0417 159 1 -11.0219 -81.4214 247.2307 1.0504 -0.0480 160 1 -11.0077 -82.8762 234.9842 1.0436 -0.0417 161 1 -11.0219 -83.0484 240.2383 1.0470 -0.0449 162 1 -11.0077 -85.5202 230.8297 1.0419 -0.0402 163 1 -11.4343 -93.9009 267.5483 1.0498 -0.0474 164 1 -10.5169 -75.2142 154.3765 0.9864 0.0138 165 1 -11.0077 -84.0539 237.8166 1.0453 -0.0434 166 1 -12.1268 -137.2872 298.3387 1.0787 -0.0730 167 1 -12.5779 -172.0728 268.8328 1.0665 -0.0624 168 1 -12.2739 -148.2956 285.6866 1.0800 -0.0740 169 1 -12.9694 -183.0217 231.2015 1.0233 -0.0228 170 1 -11.4343 -93.2522 270.9147 1.0507 -0.0482 171 1 -11.0219 -81.4214 247.2307 1.0504 -0.0480 172 1 -12.5779 -172.4802 272.2399 1.0677 -0.0634 173 1 -13.6846 -197.6641 180.5670 1.0197 -0.0193 174 1 -13.8262 -202.0404 177.3139 1.0252 -0.0246 175 1 -13.8262 -202.7595 178.9469 1.0263 -0.0256 176 1 -12.2739 -148.9368 290.1374 1.0817 -0.0755 177 1 -11.0077 -84.0539 237.8166 1.0453 -0.0434 178 1 -12.2739 -148.9360 290.1379 1.0817 -0.0755 179 1 -13.8262 -202.7589 178.9504 1.0263 -0.0256 180 1 -14.3745 -217.8116 150.8956 1.0102 -0.0101 181 1 -15.3226 -223.9951 87.9277 0.9953 0.0048 182 1 -14.3745 -217.8116 150.8956 1.0102 -0.0101 183 1 -12.5779 -172.4802 272.2399 1.0677 -0.0634 184 1 -12.1268 -137.2895 298.3365 1.0787 -0.0730 185 1 -13.8262 -202.0410 177.3142 1.0252 -0.0246 186 1 -15.1744 -223.3390 97.8458 0.9958 0.0042 187 1 -14.3745 -215.9521 147.9883 1.0090 -0.0090 188 1 -13.8262 -202.0410 177.3142 1.0252 -0.0246 189 1 -12.2739 -148.9360 290.1380 1.0817 -0.0755 190 1 -11.0077 -82.8764 234.9832 1.0436 -0.0417 191 1 -12.2739 -148.2951 285.6868 1.0800 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-202.0404 177.3139 1.0252 -0.0246 213 1 -12.1268 -137.2872 298.3387 1.0787 -0.0730 214 1 -12.5779 -172.4825 272.2379 1.0677 -0.0634 215 1 -14.3745 -217.8116 150.8956 1.0102 -0.0101 216 1 -15.3226 -223.9948 87.9284 0.9953 0.0047 1 2 -0.3992 233.2526 142.5273 0.9973 0.0027 2 2 -2.2204 101.0127 392.5531 1.1227 -0.1093 3 2 -6.6106 -2.7243 146.3066 0.9940 0.0060 4 2 -9.2155 6.7302 63.7069 0.9519 0.0505 5 2 -6.6106 -2.7234 146.3029 0.9940 0.0060 6 2 -2.2204 101.0155 392.5387 1.1227 -0.1093 7 2 -2.2204 99.7190 391.3511 1.1216 -0.1084 8 2 -1.7543 153.7716 380.3453 1.1244 -0.1106 9 2 -5.0893 -20.9968 196.9907 1.0256 -0.0250 10 2 -8.4181 -25.2641 148.0732 1.0034 -0.0034 11 2 -7.5294 -12.4553 206.0385 1.0498 -0.0474 12 2 -4.0806 -9.9822 242.9866 1.0196 -0.0193 13 2 -6.6106 -3.7501 141.6102 0.9931 0.0069 14 2 -5.0893 -22.7013 195.2694 1.0249 -0.0243 15 2 -5.4186 -25.4583 176.2007 1.0112 -0.0111 16 2 -7.3701 -18.8492 192.5287 1.0374 -0.0360 17 2 -7.4953 -31.9757 215.0279 1.0524 -0.0498 18 2 -7.5294 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166.7513 318.6874 1.0891 -0.0818 152 4 -2.2693 89.5218 336.5616 1.1000 -0.0909 153 4 -3.1301 40.3002 255.3171 1.0495 -0.0472 154 4 -4.2518 34.3612 176.0002 1.0135 -0.0134 155 4 -3.4814 27.7370 225.0069 1.0320 -0.0310 156 4 -2.3570 82.9323 337.0729 1.0955 -0.0871 157 4 -2.6245 63.2603 314.8180 1.0738 -0.0687 158 4 -3.1301 42.0097 255.8090 1.0491 -0.0468 159 4 -2.6245 62.9245 315.2625 1.0743 -0.0692 160 4 -3.1301 42.0115 255.8099 1.0491 -0.0468 161 4 -2.6245 63.2608 314.8185 1.0738 -0.0687 162 4 -3.1301 42.9076 257.5925 1.0487 -0.0464 163 4 -3.4814 27.7341 225.0037 1.0320 -0.0310 164 4 -4.2518 34.3613 176.0020 1.0135 -0.0134 165 4 -3.1301 40.3002 255.3171 1.0495 -0.0472 166 4 -2.2693 89.5244 336.5576 1.1000 -0.0909 167 4 -1.4850 166.7528 318.6837 1.0891 -0.0818 168 4 -2.3570 82.9332 337.0733 1.0955 -0.0871 169 4 -3.0665 37.6724 275.6124 1.0562 -0.0532 170 4 -3.4814 24.4942 222.4996 1.0318 -0.0309 171 4 -2.6245 62.9245 315.2625 1.0743 -0.0692 172 4 -1.4850 167.8135 320.5082 1.0896 -0.0823 173 4 -1.2665 189.1076 291.0435 1.0683 -0.0639 174 4 -1.7453 147.8047 350.5901 1.1101 -0.0992 175 4 -1.7453 148.6766 348.1119 1.1093 -0.0985 176 4 -2.3570 83.4206 335.1594 1.0948 -0.0866 177 4 -3.1301 40.3002 255.3171 1.0495 -0.0472 178 4 -2.3570 83.4194 335.1615 1.0948 -0.0866 179 4 -1.7453 148.6761 348.1118 1.1093 -0.0985 180 4 -0.6189 224.3163 182.0096 1.0154 -0.0152 181 4 -0.6014 228.2902 175.5706 1.0116 -0.0115 182 4 -0.6189 224.3164 182.0096 1.0154 -0.0152 183 4 -1.4850 167.8135 320.5082 1.0896 -0.0823 184 4 -2.2693 89.5218 336.5615 1.1000 -0.0909 185 4 -1.7453 147.8038 350.5940 1.1101 -0.0992 186 4 -1.1893 203.6708 289.6333 1.0633 -0.0595 187 4 -0.6189 224.0071 185.5394 1.0175 -0.0172 188 4 -1.7453 147.8038 350.5939 1.1101 -0.0992 189 4 -2.3570 83.4194 335.1615 1.0948 -0.0866 190 4 -3.1301 42.0097 255.8090 1.0491 -0.0468 191 4 -2.3570 82.9323 337.0729 1.0955 -0.0871 192 4 -1.7453 147.3230 350.5207 1.1102 -0.0993 193 4 -1.4850 167.2748 322.6762 1.0906 -0.0831 194 4 -2.3570 82.9324 337.0729 1.0955 -0.0871 195 4 -3.4814 24.4925 222.4986 1.0318 -0.0309 196 4 -4.2518 34.3613 176.0020 1.0135 -0.0134 197 4 -3.1301 42.9076 257.5925 1.0487 -0.0464 198 4 -2.2693 91.2684 336.7761 1.0998 -0.0907 199 4 -2.2693 91.2653 336.7789 1.0998 -0.0907 200 4 -3.1301 42.9076 257.5925 1.0487 -0.0464 201 4 -4.2518 34.3612 176.0002 1.0135 -0.0134 202 4 -3.4814 24.4942 222.4996 1.0318 -0.0309 203 4 -2.3570 82.9332 337.0734 1.0955 -0.0871 204 4 -1.4850 167.2737 322.6779 1.0906 -0.0831 205 4 -1.7453 147.3226 350.5228 1.1102 -0.0993 206 4 -2.3570 82.9332 337.0734 1.0955 -0.0871 207 4 -3.1301 42.0115 255.8099 1.0491 -0.0468 208 4 -2.3570 83.4206 335.1594 1.0948 -0.0866 209 4 -1.7453 147.8047 350.5901 1.1101 -0.0992 210 4 -0.6189 224.0068 185.5392 1.0175 -0.0172 211 4 -1.1893 203.5865 288.4258 1.0630 -0.0593 212 4 -1.7453 147.8047 350.5901 1.1101 -0.0992 213 4 -2.2693 89.5244 336.5576 1.1000 -0.0909 214 4 -1.4850 167.8131 320.5087 1.0896 -0.0823 215 4 -0.6189 224.3164 182.0096 1.0154 -0.0152 216 4 -0.6014 229.3276 180.1787 1.0137 -0.0135 =================================================================== Eliashberg Spectral Function in the Migdal Approximation =================================================================== lambda : 0.0786440 lambda_tr : 0.1262120 Estimated Allen-Dynes Tc logavg = 0.0058084 l_a2F = 0.0837555 mu = 0.10 Tc = ********************** K mu = 0.12 Tc = ********************** K mu = 0.14 Tc = ********************** K mu = 0.16 Tc = 470363898.073241770267 K mu = 0.18 Tc = 33034208.400506634265 K mu = 0.20 Tc = 5607548.115262732841 K a2F : 0.15s CPU 0.15s WALL ( 1 calls) Unfolding on the coarse grid elphon_wrap : 40.23s CPU 41.15s WALL ( 1 calls) INITIALIZATION: init_vloc : 0.09s CPU 0.09s WALL ( 29 calls) init_us_1 : 1.46s CPU 1.50s WALL ( 29 calls) Electron-Phonon interpolation ephwann : 2.11s CPU 2.15s WALL ( 1 calls) ep-interp : 1.80s CPU 1.84s WALL ( 216 calls) PH SELF-ENER : 0.14s CPU 0.14s 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 ( 162 calls) ep: step 2 : 0.03s CPU 0.03s WALL ( 162 calls) DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) HamW2B : 0.59s CPU 0.59s WALL ( 23436 calls) ephW2Bp : 0.08s CPU 0.08s WALL ( 216 calls) Total program execution EPW : 45.90s CPU 46.87s WALL