\ / | ``: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 16: 8:20 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 4 processors K-points division: npool = 4 Reading data from directory: ./pb.save Info: using nr1, nr2, nr3 values from input Info: using nr1, nr2, nr3 values from input IMPORTANT: XC functional enforced from input : Exchange-correlation = PZ ( 1 1 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 703 703 211 12387 12387 2109 -- bravais-lattice index = 2 lattice parameter (a_0) = 9.2700 a.u. unit-cell volume = 199.1495 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 kinetic-energy cut-off = 60.0000 Ry charge density cut-off = 240.0000 Ry convergence threshold = 0.0E+00 beta = 0.0000 number of iterations used = 0 Exchange-correlation = PZ ( 1 1 0 0 0 0) celldm(1)= 9.27000 celldm(2)= 0.00000 celldm(3)= 0.00000 celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000 crystal axes: (cart. coord. in units of a_0) a(1) = ( -0.5000 0.0000 0.5000 ) a(2) = ( 0.0000 0.5000 0.5000 ) a(3) = ( -0.5000 0.5000 0.0000 ) reciprocal axes: (cart. coord. in units 2 pi/a_0) b(1) = ( -1.0000 -1.0000 1.0000 ) b(2) = ( 1.0000 1.0000 1.0000 ) b(3) = ( -1.0000 1.0000 -1.0000 ) Atoms inside the unit cell: Cartesian axes site n. atom mass positions (a_0 units) 1 Pb 207.2175 tau( 1) = ( 0.00000 0.00000 0.00000 ) 49 Sym.Ops. (with q -> -q+G ) G cutoff = 522.4094 ( 12387 G-vectors) FFT grid: ( 36, 36, 36) number of k points= 27 gaussian broad. (Ry)= 0.0200 ngauss = 1 cart. coord. in units 2pi/a_0 k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0370370 k( 2) = ( -0.3333333 0.3333333 -0.3333333), wk = 0.0370370 k( 3) = ( -0.6666667 0.6666667 -0.6666667), wk = 0.0370370 k( 4) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0370370 k( 5) = ( 0.0000000 0.6666667 0.0000000), wk = 0.0370370 k( 6) = ( -0.3333333 1.0000000 -0.3333333), wk = 0.0370370 k( 7) = ( 0.6666667 0.6666667 0.6666667), wk = 0.0370370 k( 8) = ( 0.3333333 1.0000000 0.3333333), wk = 0.0370370 k( 9) = ( 0.0000000 1.3333333 0.0000000), wk = 0.0370370 k( 10) = ( -0.3333333 -0.3333333 0.3333333), wk = 0.0370370 k( 11) = ( -0.6666667 0.0000000 0.0000000), wk = 0.0370370 k( 12) = ( -1.0000000 0.3333333 -0.3333333), wk = 0.0370370 k( 13) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0370370 k( 14) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0370370 k( 15) = ( -0.6666667 0.6666667 -0.0000000), wk = 0.0370370 k( 16) = ( 0.3333333 0.3333333 1.0000000), wk = 0.0370370 k( 17) = ( 0.0000000 0.6666667 0.6666667), wk = 0.0370370 k( 18) = ( -0.3333333 1.0000000 0.3333333), wk = 0.0370370 k( 19) = ( -0.6666667 -0.6666667 0.6666667), wk = 0.0370370 k( 20) = ( -1.0000000 -0.3333333 0.3333333), wk = 0.0370370 k( 21) = ( -1.3333333 0.0000000 0.0000000), wk = 0.0370370 k( 22) = ( -0.3333333 -0.3333333 1.0000000), wk = 0.0370370 k( 23) = ( -0.6666667 -0.0000000 0.6666667), wk = 0.0370370 k( 24) = ( -1.0000000 0.3333333 0.3333333), wk = 0.0370370 k( 25) = ( 0.0000000 0.0000000 1.3333333), wk = 0.0370370 k( 26) = ( -0.3333333 0.3333333 1.0000000), wk = 0.0370370 k( 27) = ( -0.6666667 0.6666667 0.6666667), wk = 0.0370370 PseudoPot. # 1 for Pb read from file: ../../pp/pb_s.UPF MD5 check sum: 7774f596943a2055f0d8d19eea6f2ae8 Pseudo is Norm-conserving, Zval = 14.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1281 points, 4 beta functions with: l(1) = 2 l(2) = 2 l(3) = 1 l(4) = 1 EPW : 0.41s CPU 0.41s WALL EPW : 0.74s CPU 0.74s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- Wannierization on 3 x 3 x 3 electronic grid ------------------------------------------------------------------- Spin CASE ( non-collinear ) Initializing Wannier90 Initial Wannier projections ( 0.00000 0.00000 0.00000) : l = -3 mr = 1 ( 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 = 2 - Number of bands is ( 22) - Number of wannier functions is ( 8) - 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): ( -0.08272 0.08272 0.08272) : 1.60664 ( 0.08272 -0.08272 0.08272) : 1.60664 ( 0.08272 0.08272 -0.08272) : 1.60665 ( -0.08272 -0.08272 -0.08272) : 1.60663 ( -0.08272 0.08272 0.08272) : 1.60664 ( 0.08272 -0.08272 0.08272) : 1.60664 ( -0.08272 -0.08272 -0.08272) : 1.60663 ( 0.08272 0.08272 -0.08272) : 1.60665 ------------------------------------------------------------------- WANNIER : 9.77s CPU 9.80s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## kmaps : 3.35s CPU 3.36s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 48 =================================================================== irreducible q point # 1 =================================================================== Symmetries of small group of q: 48 in addition sym. q -> -q+G: Number of q in the star = 1 List of q in the star: 1 0.000000000 0.000000000 0.000000000 Imposing acoustic sum rule on the dynamical matrix q( 1 ) = ( 0.0000000 0.0000000 0.0000000 ) =================================================================== irreducible q point # 2 =================================================================== Symmetries of small group of q: 6 Number of q in the star = 8 List of q in the star: 1 -0.333333333 0.333333333 -0.333333333 2 0.333333333 0.333333333 -0.333333333 3 0.333333333 0.333333333 0.333333333 4 -0.333333333 0.333333333 0.333333333 5 0.333333333 -0.333333333 0.333333333 6 -0.333333333 -0.333333333 -0.333333333 7 0.333333333 -0.333333333 -0.333333333 8 -0.333333333 -0.333333333 0.333333333 q( 2 ) = ( -0.3333333 0.3333333 -0.3333333 ) q( 3 ) = ( 0.3333333 0.3333333 -0.3333333 ) q( 4 ) = ( 0.3333333 0.3333333 0.3333333 ) q( 5 ) = ( -0.3333333 0.3333333 0.3333333 ) q( 6 ) = ( 0.3333333 -0.3333333 0.3333333 ) q( 7 ) = ( -0.3333333 -0.3333333 -0.3333333 ) q( 8 ) = ( 0.3333333 -0.3333333 -0.3333333 ) q( 9 ) = ( -0.3333333 -0.3333333 0.3333333 ) =================================================================== irreducible q point # 3 =================================================================== Symmetries of small group of q: 8 Number of q in the star = 6 List of q in the star: 1 0.000000000 0.666666667 0.000000000 2 -0.666666667 0.000000000 0.000000000 3 0.000000000 -0.666666667 0.000000000 4 0.000000000 0.000000000 0.666666667 5 0.000000000 0.000000000 -0.666666667 6 0.666666667 0.000000000 0.000000000 q( 10 ) = ( 0.0000000 0.6666667 0.0000000 ) q( 11 ) = ( -0.6666667 0.0000000 0.0000000 ) q( 12 ) = ( 0.0000000 -0.6666667 0.0000000 ) q( 13 ) = ( 0.0000000 0.0000000 0.6666667 ) q( 14 ) = ( 0.0000000 0.0000000 -0.6666667 ) q( 15 ) = ( 0.6666667 0.0000000 0.0000000 ) =================================================================== irreducible q point # 4 =================================================================== Symmetries of small group of q: 4 Number of q in the star = 12 List of q in the star: 1 0.666666667 0.000000000 0.666666667 2 0.666666667 0.000000000 -0.666666667 3 -0.666666667 0.000000000 -0.666666667 4 -0.666666667 0.000000000 0.666666667 5 0.000000000 -0.666666667 0.666666667 6 -0.666666667 0.666666667 0.000000000 7 -0.666666667 -0.666666667 0.000000000 8 0.666666667 0.666666667 0.000000000 9 0.666666667 -0.666666667 0.000000000 10 0.000000000 0.666666667 0.666666667 11 0.000000000 0.666666667 -0.666666667 12 0.000000000 -0.666666667 -0.666666667 q( 16 ) = ( 0.6666667 0.0000000 0.6666667 ) q( 17 ) = ( 0.6666667 0.0000000 -0.6666667 ) q( 18 ) = ( -0.6666667 0.0000000 -0.6666667 ) q( 19 ) = ( -0.6666667 0.0000000 0.6666667 ) q( 20 ) = ( 0.0000000 -0.6666667 0.6666667 ) q( 21 ) = ( -0.6666667 0.6666667 0.0000000 ) q( 22 ) = ( -0.6666667 -0.6666667 0.0000000 ) q( 23 ) = ( 0.6666667 0.6666667 0.0000000 ) q( 24 ) = ( 0.6666667 -0.6666667 0.0000000 ) q( 25 ) = ( 0.0000000 0.6666667 0.6666667 ) q( 26 ) = ( 0.0000000 0.6666667 -0.6666667 ) q( 27 ) = ( 0.0000000 -0.6666667 -0.6666667 ) Writing epmatq on .epb files band disentanglement is used: nbndsub = 8 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 = 10.121993 eV Skipping the first 10 bands: The Fermi level will be determined with 4.00000 electrons Fermi energy is calculated from the fine k-mesh: Ef = 11.669395 eV Warning: check if difference with Fermi level fine grid makes sense =================================================================== ibndmin = 3 ebndmin = 0.495 ibndmax = 8 ebndmax = 1.265 Number of ep-matrix elements per pool : 5832 ~= 45.56 Kb (@ 8 bytes/ DP) =================================================================== Phonon (Imaginary) Self-Energy in the Migdal Approximation =================================================================== Fermi Surface thickness = 6.000000 eV Golden Rule strictly enforced with T = 0.172347 eV Gaussian Broadening: 1.000000 eV, ngauss= 1 DOS = 0.292656 states/spin/eV/Unit Cell at Ef= 11.669395 eV ismear = 1 iq = 1 coord.: 0.00000 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 0.0000 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 0.0000 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.0000 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- 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 = 6.000000 eV Golden Rule strictly enforced with T = 0.172347 eV Gaussian Broadening: 1.000000 eV, ngauss= 1 DOS = 0.292656 states/spin/eV/Unit Cell at Ef= 11.669395 eV ismear = 1 iq = 2 coord.: 0.00000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.5943 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- 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 )= 0.319417 gamma= 0.001709 meV omega= 2.4121 meV lambda( 2 )= 0.320150 gamma= 0.001713 meV omega= 2.4121 meV lambda( 3 )= 0.911295 gamma= 0.009281 meV omega= 3.3283 meV lambda( tot )= 1.550862 ------------------------------------------------------------------- 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 )= -0.218173 gamma= -0.002869 meV omega= 3.7822 meV lambda( 2 )= -0.287083 gamma= -0.003776 meV omega= 3.7822 meV lambda( 3 )= 0.203469 gamma= 0.004012 meV omega= 4.6312 meV lambda( tot )= -0.301788 ------------------------------------------------------------------- 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 )= 0.261310 gamma= 0.001398 meV omega= 2.4121 meV lambda( 2 )= 0.255675 gamma= 0.001368 meV omega= 2.4121 meV lambda( 3 )= 0.864581 gamma= 0.008805 meV omega= 3.3283 meV lambda( tot )= 1.381566 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.5943 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.5943 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.2765 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2765 meV lambda( 3 )= 1.098464 gamma= 0.016670 meV omega= 4.0627 meV lambda( tot )= 1.098464 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= 0.389606 gamma= 0.010777 meV omega= 5.4851 meV lambda( tot )= 0.389606 ------------------------------------------------------------------- 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 )= -1.960557 gamma= -0.013569 meV omega= 2.7436 meV lambda( 2 )= -1.410299 gamma= -0.014254 meV omega= 3.3156 meV lambda( 3 )= -0.324619 gamma= -0.009890 meV omega= 5.7564 meV lambda( tot )= -3.695474 ------------------------------------------------------------------- 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 )= 0.152489 gamma= 0.001660 meV omega= 3.4410 meV lambda( 2 )= 2.442313 gamma= 0.030466 meV omega= 3.6835 meV lambda( 3 )= -0.364066 gamma= -0.006364 meV omega= 4.3604 meV lambda( tot )= 2.230736 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.7995 meV lambda( 2 )= 1.987302 gamma= 0.010794 meV omega= 2.4305 meV lambda( 3 )= -0.678909 gamma= -0.005917 meV omega= 3.0788 meV lambda( tot )= 1.308393 ------------------------------------------------------------------- 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 )= 0.248988 gamma= 0.001332 meV omega= 2.4121 meV lambda( 2 )= 0.268192 gamma= 0.001435 meV omega= 2.4121 meV lambda( 3 )= 0.857076 gamma= 0.008729 meV omega= 3.3283 meV lambda( tot )= 1.374256 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= 0.080939 gamma= 0.002239 meV omega= 5.4851 meV lambda( tot )= 0.080939 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -4.4985 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.4985 meV lambda( 3 )= 0.206020 gamma= 0.010200 meV omega= 7.3381 meV lambda( tot )= 0.206020 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.337898 gamma= 0.019212 meV omega= 7.8640 meV lambda( tot )= 0.337898 ------------------------------------------------------------------- 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 )= 0.572003 gamma= 0.004904 meV omega= 3.0538 meV lambda( 2 )= 0.146111 gamma= 0.001803 meV omega= 3.6637 meV lambda( 3 )= 0.146028 gamma= 0.005731 meV omega= 6.5334 meV lambda( tot )= 0.864142 ------------------------------------------------------------------- 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 )= 0.624918 gamma= 0.006803 meV omega= 3.4410 meV lambda( 2 )= 2.372870 gamma= 0.029600 meV omega= 3.6835 meV lambda( 3 )= -0.355273 gamma= -0.006210 meV omega= 4.3604 meV lambda( tot )= 2.642515 ------------------------------------------------------------------- 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 )= -0.396090 gamma= -0.005209 meV omega= 3.7822 meV lambda( 2 )= -0.404701 gamma= -0.005323 meV omega= 3.7822 meV lambda( 3 )= -0.755320 gamma= -0.014895 meV omega= 4.6312 meV lambda( tot )= -1.556111 ------------------------------------------------------------------- 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 )= -2.053758 gamma= -0.014214 meV omega= 2.7436 meV lambda( 2 )= -2.435198 gamma= -0.024613 meV omega= 3.3156 meV lambda( 3 )= -0.355711 gamma= -0.010837 meV omega= 5.7564 meV lambda( tot )= -4.844668 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.186186 gamma= 0.010586 meV omega= 7.8640 meV lambda( tot )= 0.186186 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -4.3590 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.3590 meV lambda( 3 )= 0.077615 gamma= 0.005329 meV omega= 8.6419 meV lambda( tot )= 0.077615 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.329282 gamma= 0.018723 meV omega= 7.8640 meV lambda( tot )= 0.329282 ------------------------------------------------------------------- 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 )= -2.110676 gamma= -0.014608 meV omega= 2.7436 meV lambda( 2 )= -2.977723 gamma= -0.030097 meV omega= 3.3156 meV lambda( 3 )= -0.434206 gamma= -0.013228 meV omega= 5.7564 meV lambda( tot )= -5.522605 ------------------------------------------------------------------- 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 )= 0.248861 gamma= 0.001331 meV omega= 2.4121 meV lambda( 2 )= 0.268689 gamma= 0.001437 meV omega= 2.4121 meV lambda( 3 )= 0.856828 gamma= 0.008726 meV omega= 3.3283 meV lambda( tot )= 1.374378 ------------------------------------------------------------------- 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 )= -0.086088 gamma= -0.000937 meV omega= 3.4410 meV lambda( 2 )= 1.739111 gamma= 0.021694 meV omega= 3.6835 meV lambda( 3 )= -0.318183 gamma= -0.005562 meV omega= 4.3604 meV lambda( tot )= 1.334840 ------------------------------------------------------------------- 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 )= 0.506383 gamma= 0.004342 meV omega= 3.0538 meV lambda( 2 )= 0.135249 gamma= 0.001669 meV omega= 3.6637 meV lambda( 3 )= 0.128835 gamma= 0.005056 meV omega= 6.5334 meV lambda( tot )= 0.770468 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.154210 gamma= 0.008768 meV omega= 7.8640 meV lambda( tot )= 0.154210 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -4.4985 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.4985 meV lambda( 3 )= 0.189488 gamma= 0.009381 meV omega= 7.3381 meV lambda( tot )= 0.189488 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= 0.191548 gamma= 0.005299 meV omega= 5.4851 meV lambda( tot )= 0.191548 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.5943 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.7995 meV lambda( 2 )= 4.068976 gamma= 0.022100 meV omega= 2.4305 meV lambda( 3 )= -0.166621 gamma= -0.001452 meV omega= 3.0788 meV lambda( tot )= 3.902355 ------------------------------------------------------------------- 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 )= 0.404307 gamma= 0.004401 meV omega= 3.4410 meV lambda( 2 )= 1.754224 gamma= 0.021883 meV omega= 3.6835 meV lambda( 3 )= -0.162968 gamma= -0.002849 meV omega= 4.3604 meV lambda( tot )= 1.995563 ------------------------------------------------------------------- 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 )= -2.724318 gamma= -0.018855 meV omega= 2.7436 meV lambda( 2 )= -2.093550 gamma= -0.021160 meV omega= 3.3156 meV lambda( 3 )= -0.458820 gamma= -0.013978 meV omega= 5.7564 meV lambda( tot )= -5.276687 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= -0.046874 gamma= -0.001297 meV omega= 5.4851 meV lambda( tot )= -0.046874 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.2765 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2765 meV lambda( 3 )= 0.456817 gamma= 0.006932 meV omega= 4.0627 meV lambda( tot )= 0.456817 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.5943 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.2765 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2765 meV lambda( 3 )= 1.108154 gamma= 0.016817 meV omega= 4.0627 meV lambda( tot )= 1.108154 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= 0.141106 gamma= 0.003903 meV omega= 5.4851 meV lambda( tot )= 0.141106 ------------------------------------------------------------------- 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 )= -1.798635 gamma= -0.012448 meV omega= 2.7436 meV lambda( 2 )= -2.814424 gamma= -0.028446 meV omega= 3.3156 meV lambda( 3 )= -0.377092 gamma= -0.011488 meV omega= 5.7564 meV lambda( tot )= -4.990152 ------------------------------------------------------------------- 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 )= 0.569733 gamma= 0.006202 meV omega= 3.4410 meV lambda( 2 )= 2.796595 gamma= 0.034886 meV omega= 3.6835 meV lambda( 3 )= 0.252754 gamma= 0.004418 meV omega= 4.3604 meV lambda( tot )= 3.619083 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.7995 meV lambda( 2 )= 2.811889 gamma= 0.015272 meV omega= 2.4305 meV lambda( 3 )= -0.702554 gamma= -0.006123 meV omega= 3.0788 meV lambda( tot )= 2.109335 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.2765 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2765 meV lambda( 3 )= 1.363349 gamma= 0.020689 meV omega= 4.0627 meV lambda( tot )= 1.363349 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.5943 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.7995 meV lambda( 2 )= 3.494973 gamma= 0.018982 meV omega= 2.4305 meV lambda( 3 )= -0.010655 gamma= -0.000093 meV omega= 3.0788 meV lambda( tot )= 3.484317 ------------------------------------------------------------------- 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 )= -0.130537 gamma= -0.001421 meV omega= 3.4410 meV lambda( 2 )= 1.557649 gamma= 0.019431 meV omega= 3.6835 meV lambda( 3 )= -0.495829 gamma= -0.008667 meV omega= 4.3604 meV lambda( tot )= 0.931282 ------------------------------------------------------------------- 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 )= -1.932567 gamma= -0.013375 meV omega= 2.7436 meV lambda( 2 )= -2.115584 gamma= -0.021383 meV omega= 3.3156 meV lambda( 3 )= -0.544337 gamma= -0.016583 meV omega= 5.7564 meV lambda( tot )= -4.592488 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= -0.174168 gamma= -0.004818 meV omega= 5.4851 meV lambda( tot )= -0.174168 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= -0.178069 gamma= -0.004926 meV omega= 5.4851 meV lambda( tot )= -0.178069 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.7995 meV lambda( 2 )= 2.870969 gamma= 0.015593 meV omega= 2.4305 meV lambda( 3 )= -0.535240 gamma= -0.004665 meV omega= 3.0788 meV lambda( tot )= 2.335729 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= 0.186315 gamma= 0.005154 meV omega= 5.4851 meV lambda( tot )= 0.186315 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -8.831425 gamma= -0.027107 meV omega= 1.8272 meV lambda( 3 )= -0.161884 gamma= -0.006306 meV omega= 6.5091 meV lambda( tot )= -8.993309 ------------------------------------------------------------------- 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 )= -215.368636 gamma= -0.163936 meV omega= 0.9099 meV lambda( 2 )= -0.586735 gamma= -0.017075 meV omega= 5.6261 meV lambda( 3 )= 0.256680 gamma= 0.007777 meV omega= 5.7405 meV lambda( tot )= -215.698691 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -25.827626 gamma= -0.079276 meV omega= 1.8272 meV lambda( 3 )= -0.306862 gamma= -0.011953 meV omega= 6.5091 meV lambda( tot )= -26.134488 ------------------------------------------------------------------- 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 )= -2.501686 gamma= -0.017314 meV omega= 2.7436 meV lambda( 2 )= -2.630001 gamma= -0.026582 meV omega= 3.3156 meV lambda( 3 )= -0.514510 gamma= -0.015675 meV omega= 5.7564 meV lambda( tot )= -5.646196 ------------------------------------------------------------------- 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 )= 0.700200 gamma= 0.007623 meV omega= 3.4410 meV lambda( 2 )= 2.316224 gamma= 0.028893 meV omega= 3.6835 meV lambda( 3 )= -0.061369 gamma= -0.001073 meV omega= 4.3604 meV lambda( tot )= 2.955056 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -14.668304 gamma= -0.045023 meV omega= 1.8272 meV lambda( 3 )= -0.264956 gamma= -0.010321 meV omega= 6.5091 meV lambda( tot )= -14.933259 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.306776 gamma= 0.017443 meV omega= 7.8640 meV lambda( tot )= 0.306776 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.8257 meV lambda( 2 )= -2.607343 gamma= -0.027847 meV omega= 3.4083 meV lambda( 3 )= -0.554112 gamma= -0.029782 meV omega= 7.6458 meV lambda( tot )= -3.161455 ------------------------------------------------------------------- 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 )= -202.123842 gamma= -0.153854 meV omega= 0.9099 meV lambda( 2 )= -0.634073 gamma= -0.018453 meV omega= 5.6261 meV lambda( 3 )= 0.340181 gamma= 0.010307 meV omega= 5.7405 meV lambda( tot )= -202.417734 ------------------------------------------------------------------- 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 )= 0.399209 gamma= 0.004346 meV omega= 3.4410 meV lambda( 2 )= 1.718317 gamma= 0.021435 meV omega= 3.6835 meV lambda( 3 )= -0.526727 gamma= -0.009207 meV omega= 4.3604 meV lambda( tot )= 1.590799 ------------------------------------------------------------------- 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 )= -1.707733 gamma= -0.011819 meV omega= 2.7436 meV lambda( 2 )= -2.305870 gamma= -0.023306 meV omega= 3.3156 meV lambda( 3 )= -0.400004 gamma= -0.012186 meV omega= 5.7564 meV lambda( tot )= -4.413607 ------------------------------------------------------------------- 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 )= -196.287528 gamma= -0.149412 meV omega= 0.9099 meV lambda( 2 )= -0.742430 gamma= -0.021606 meV omega= 5.6261 meV lambda( 3 )= 0.237797 gamma= 0.007205 meV omega= 5.7405 meV lambda( tot )= -196.792160 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.8257 meV lambda( 2 )= -3.544526 gamma= -0.037856 meV omega= 3.4083 meV lambda( 3 )= -0.463535 gamma= -0.024914 meV omega= 7.6458 meV lambda( tot )= -4.008061 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.256871 gamma= 0.014605 meV omega= 7.8640 meV lambda( tot )= 0.256871 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -13.012772 gamma= -0.039942 meV omega= 1.8272 meV lambda( 3 )= -0.173557 gamma= -0.006761 meV omega= 6.5091 meV lambda( tot )= -13.186328 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.7995 meV lambda( 2 )= 4.656453 gamma= 0.025291 meV omega= 2.4305 meV lambda( 3 )= -0.281726 gamma= -0.002455 meV omega= 3.0788 meV lambda( tot )= 4.374727 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= 0.054683 gamma= 0.001513 meV omega= 5.4851 meV lambda( tot )= 0.054683 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -17.804188 gamma= -0.054649 meV omega= 1.8272 meV lambda( 3 )= -0.076895 gamma= -0.002995 meV omega= 6.5091 meV lambda( tot )= -17.881083 ------------------------------------------------------------------- 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 )= -200.868179 gamma= -0.152898 meV omega= 0.9099 meV lambda( 2 )= -0.730612 gamma= -0.021262 meV omega= 5.6261 meV lambda( 3 )= 0.216596 gamma= 0.006562 meV omega= 5.7405 meV lambda( tot )= -201.382195 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -20.822473 gamma= -0.063913 meV omega= 1.8272 meV lambda( 3 )= -0.251564 gamma= -0.009799 meV omega= 6.5091 meV lambda( tot )= -21.074037 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= -0.043631 gamma= -0.001207 meV omega= 5.4851 meV lambda( tot )= -0.043631 ------------------------------------------------------------------- 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 )= 0.265914 gamma= 0.001423 meV omega= 2.4121 meV lambda( 2 )= 0.282144 gamma= 0.001509 meV omega= 2.4121 meV lambda( 3 )= 0.875414 gamma= 0.008916 meV omega= 3.3283 meV lambda( tot )= 1.423472 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= -0.027640 gamma= -0.000765 meV omega= 5.4851 meV lambda( tot )= -0.027640 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -4.4985 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.4985 meV lambda( 3 )= 0.194243 gamma= 0.009616 meV omega= 7.3381 meV lambda( tot )= 0.194243 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.292104 gamma= 0.016609 meV omega= 7.8640 meV lambda( tot )= 0.292104 ------------------------------------------------------------------- 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 )= 0.550127 gamma= 0.004717 meV omega= 3.0538 meV lambda( 2 )= 0.132893 gamma= 0.001640 meV omega= 3.6637 meV lambda( 3 )= 0.131294 gamma= 0.005153 meV omega= 6.5334 meV lambda( tot )= 0.814314 ------------------------------------------------------------------- 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 )= 0.658860 gamma= 0.007172 meV omega= 3.4410 meV lambda( 2 )= 2.099832 gamma= 0.026194 meV omega= 3.6835 meV lambda( 3 )= -0.358702 gamma= -0.006270 meV omega= 4.3604 meV lambda( tot )= 2.399990 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= 0.131386 gamma= 0.003634 meV omega= 5.4851 meV lambda( tot )= 0.131386 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.7995 meV lambda( 2 )= 2.121833 gamma= 0.011524 meV omega= 2.4305 meV lambda( 3 )= -0.474887 gamma= -0.004139 meV omega= 3.0788 meV lambda( tot )= 1.646946 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= 0.060161 gamma= 0.001664 meV omega= 5.4851 meV lambda( tot )= 0.060161 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -18.299133 gamma= -0.056168 meV omega= 1.8272 meV lambda( 3 )= -0.295848 gamma= -0.011524 meV omega= 6.5091 meV lambda( tot )= -18.594981 ------------------------------------------------------------------- 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 )= -227.941284 gamma= -0.173506 meV omega= 0.9099 meV lambda( 2 )= -0.698187 gamma= -0.020319 meV omega= 5.6261 meV lambda( 3 )= 0.302505 gamma= 0.009165 meV omega= 5.7405 meV lambda( tot )= -228.336966 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -10.915584 gamma= -0.033505 meV omega= 1.8272 meV lambda( 3 )= -0.300609 gamma= -0.011710 meV omega= 6.5091 meV lambda( tot )= -11.216194 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -4.4985 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.4985 meV lambda( 3 )= 0.190783 gamma= 0.009445 meV omega= 7.3381 meV lambda( tot )= 0.190783 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= 0.129247 gamma= 0.003575 meV omega= 5.4851 meV lambda( tot )= 0.129247 ------------------------------------------------------------------- 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 )= 0.292932 gamma= 0.001567 meV omega= 2.4121 meV lambda( 2 )= 0.285206 gamma= 0.001526 meV omega= 2.4121 meV lambda( 3 )= 0.886073 gamma= 0.009024 meV omega= 3.3283 meV lambda( tot )= 1.464211 ------------------------------------------------------------------- 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 )= -0.075602 gamma= -0.000823 meV omega= 3.4410 meV lambda( 2 )= 1.845518 gamma= 0.023022 meV omega= 3.6835 meV lambda( 3 )= -0.137089 gamma= -0.002396 meV omega= 4.3604 meV lambda( tot )= 1.632827 ------------------------------------------------------------------- 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 )= 0.526801 gamma= 0.004517 meV omega= 3.0538 meV lambda( 2 )= 0.132527 gamma= 0.001636 meV omega= 3.6637 meV lambda( 3 )= 0.127998 gamma= 0.005023 meV omega= 6.5334 meV lambda( tot )= 0.787326 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.271147 gamma= 0.015417 meV omega= 7.8640 meV lambda( tot )= 0.271147 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.255363 gamma= 0.014520 meV omega= 7.8640 meV lambda( tot )= 0.255363 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -16.610818 gamma= -0.050986 meV omega= 1.8272 meV lambda( 3 )= -0.256528 gamma= -0.009993 meV omega= 6.5091 meV lambda( tot )= -16.867346 ------------------------------------------------------------------- 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 )= 0.322427 gamma= 0.003510 meV omega= 3.4410 meV lambda( 2 )= 1.972447 gamma= 0.024605 meV omega= 3.6835 meV lambda( 3 )= -0.497468 gamma= -0.008696 meV omega= 4.3604 meV lambda( tot )= 1.797407 ------------------------------------------------------------------- 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 )= -2.587704 gamma= -0.017909 meV omega= 2.7436 meV lambda( 2 )= -1.680882 gamma= -0.016989 meV omega= 3.3156 meV lambda( 3 )= -0.344878 gamma= -0.010507 meV omega= 5.7564 meV lambda( tot )= -4.613464 ------------------------------------------------------------------- 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 )= -195.501320 gamma= -0.148813 meV omega= 0.9099 meV lambda( 2 )= -0.704772 gamma= -0.020510 meV omega= 5.6261 meV lambda( 3 )= 0.264317 gamma= 0.008008 meV omega= 5.7405 meV lambda( tot )= -195.941775 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.8257 meV lambda( 2 )= -6.146800 gamma= -0.065648 meV omega= 3.4083 meV lambda( 3 )= -0.558211 gamma= -0.030002 meV omega= 7.6458 meV lambda( tot )= -6.705012 ------------------------------------------------------------------- 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 )= 0.526981 gamma= 0.004518 meV omega= 3.0538 meV lambda( 2 )= 0.134054 gamma= 0.001654 meV omega= 3.6637 meV lambda( 3 )= 0.128056 gamma= 0.005026 meV omega= 6.5334 meV lambda( tot )= 0.789091 ------------------------------------------------------------------- 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 )= -219.949122 gamma= -0.167423 meV omega= 0.9099 meV lambda( 2 )= -0.734413 gamma= -0.021373 meV omega= 5.6261 meV lambda( 3 )= 0.279382 gamma= 0.008464 meV omega= 5.7405 meV lambda( tot )= -220.404153 ------------------------------------------------------------------- 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 )= 0.549893 gamma= 0.004715 meV omega= 3.0538 meV lambda( 2 )= 0.134571 gamma= 0.001661 meV omega= 3.6637 meV lambda( 3 )= 0.131314 gamma= 0.005153 meV omega= 6.5334 meV lambda( tot )= 0.815778 ------------------------------------------------------------------- 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 )= -211.475010 gamma= -0.160972 meV omega= 0.9099 meV lambda( 2 )= -0.565096 gamma= -0.016446 meV omega= 5.6261 meV lambda( 3 )= 0.197583 gamma= 0.005986 meV omega= 5.7405 meV lambda( tot )= -211.842523 ------------------------------------------------------------------- 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 )= 0.538195 gamma= 0.004614 meV omega= 3.0538 meV lambda( 2 )= 0.141523 gamma= 0.001747 meV omega= 3.6637 meV lambda( 3 )= 0.137213 gamma= 0.005385 meV omega= 6.5334 meV lambda( tot )= 0.816932 ------------------------------------------------------------------- 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 )= -171.450832 gamma= -0.130506 meV omega= 0.9099 meV lambda( 2 )= -0.714933 gamma= -0.020806 meV omega= 5.6261 meV lambda( 3 )= 0.227652 gamma= 0.006897 meV omega= 5.7405 meV lambda( tot )= -171.938113 ------------------------------------------------------------------- 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 )= 0.057479 gamma= 0.000626 meV omega= 3.4410 meV lambda( 2 )= 2.010471 gamma= 0.025079 meV omega= 3.6835 meV lambda( 3 )= 0.137992 gamma= 0.002412 meV omega= 4.3604 meV lambda( tot )= 2.205943 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -16.484657 gamma= -0.050599 meV omega= 1.8272 meV lambda( 3 )= -0.243731 gamma= -0.009494 meV omega= 6.5091 meV lambda( tot )= -16.728388 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.246130 gamma= 0.013995 meV omega= 7.8640 meV lambda( tot )= 0.246130 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.8257 meV lambda( 2 )= -3.567619 gamma= -0.038102 meV omega= 3.4083 meV lambda( 3 )= -0.629489 gamma= -0.033833 meV omega= 7.6458 meV lambda( tot )= -4.197109 ------------------------------------------------------------------- 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 )= -212.566745 gamma= -0.161803 meV omega= 0.9099 meV lambda( 2 )= -0.581183 gamma= -0.016914 meV omega= 5.6261 meV lambda( 3 )= 0.296130 gamma= 0.008972 meV omega= 5.7405 meV lambda( tot )= -212.851798 ------------------------------------------------------------------- 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 )= -3.088172 gamma= -0.021373 meV omega= 2.7436 meV lambda( 2 )= -3.243103 gamma= -0.032779 meV omega= 3.3156 meV lambda( 3 )= -0.420157 gamma= -0.012800 meV omega= 5.7564 meV lambda( tot )= -6.751432 ------------------------------------------------------------------- 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 )= -0.507273 gamma= -0.006672 meV omega= 3.7822 meV lambda( 2 )= -0.133317 gamma= -0.001753 meV omega= 3.7822 meV lambda( 3 )= -0.309477 gamma= -0.006103 meV omega= 4.6312 meV lambda( tot )= -0.950067 ------------------------------------------------------------------- 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 )= -2.150483 gamma= -0.014883 meV omega= 2.7436 meV lambda( 2 )= -2.589831 gamma= -0.026176 meV omega= 3.3156 meV lambda( 3 )= -0.454370 gamma= -0.013843 meV omega= 5.7564 meV lambda( tot )= -5.194684 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.198358 gamma= 0.011278 meV omega= 7.8640 meV lambda( tot )= 0.198358 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -4.3590 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.3590 meV lambda( 3 )= 0.066520 gamma= 0.004568 meV omega= 8.6419 meV lambda( tot )= 0.066520 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.329334 gamma= 0.018725 meV omega= 7.8640 meV lambda( tot )= 0.329334 ------------------------------------------------------------------- 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 )= -2.550293 gamma= -0.017650 meV omega= 2.7436 meV lambda( 2 )= -1.945501 gamma= -0.019664 meV omega= 3.3156 meV lambda( 3 )= -0.583183 gamma= -0.017767 meV omega= 5.7564 meV lambda( tot )= -5.078976 ------------------------------------------------------------------- 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 )= -2.261368 gamma= -0.015651 meV omega= 2.7436 meV lambda( 2 )= -2.185966 gamma= -0.022094 meV omega= 3.3156 meV lambda( 3 )= -0.469927 gamma= -0.014316 meV omega= 5.7564 meV lambda( tot )= -4.917261 ------------------------------------------------------------------- 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 )= 0.401026 gamma= 0.004366 meV omega= 3.4410 meV lambda( 2 )= 2.200803 gamma= 0.027454 meV omega= 3.6835 meV lambda( 3 )= -0.318947 gamma= -0.005575 meV omega= 4.3604 meV lambda( tot )= 2.282883 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -23.091308 gamma= -0.070877 meV omega= 1.8272 meV lambda( 3 )= -0.301815 gamma= -0.011757 meV omega= 6.5091 meV lambda( tot )= -23.393122 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.227985 gamma= 0.012963 meV omega= 7.8640 meV lambda( tot )= 0.227985 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.8257 meV lambda( 2 )= -4.250532 gamma= -0.045396 meV omega= 3.4083 meV lambda( 3 )= -0.575956 gamma= -0.030956 meV omega= 7.6458 meV lambda( tot )= -4.826487 ------------------------------------------------------------------- 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 )= -230.285197 gamma= -0.175290 meV omega= 0.9099 meV lambda( 2 )= -0.564889 gamma= -0.016440 meV omega= 5.6261 meV lambda( 3 )= 0.275883 gamma= 0.008358 meV omega= 5.7405 meV lambda( tot )= -230.574203 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.335169 gamma= 0.019057 meV omega= 7.8640 meV lambda( tot )= 0.335169 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -15.627365 gamma= -0.047967 meV omega= 1.8272 meV lambda( 3 )= -0.280292 gamma= -0.010918 meV omega= 6.5091 meV lambda( tot )= -15.907657 ------------------------------------------------------------------- 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 )= 0.643407 gamma= 0.007004 meV omega= 3.4410 meV lambda( 2 )= 2.338758 gamma= 0.029175 meV omega= 3.6835 meV lambda( 3 )= -0.454750 gamma= -0.007949 meV omega= 4.3604 meV lambda( tot )= 2.527415 ------------------------------------------------------------------- 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 )= -2.781828 gamma= -0.019253 meV omega= 2.7436 meV lambda( 2 )= -2.458187 gamma= -0.024846 meV omega= 3.3156 meV lambda( 3 )= -0.386744 gamma= -0.011782 meV omega= 5.7564 meV lambda( tot )= -5.626759 ------------------------------------------------------------------- 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 )= -207.967393 gamma= -0.158302 meV omega= 0.9099 meV lambda( 2 )= -0.822760 gamma= -0.023944 meV omega= 5.6261 meV lambda( 3 )= 0.223296 gamma= 0.006765 meV omega= 5.7405 meV lambda( tot )= -208.566857 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.8257 meV lambda( 2 )= -4.374315 gamma= -0.046718 meV omega= 3.4083 meV lambda( 3 )= -0.534915 gamma= -0.028750 meV omega= 7.6458 meV lambda( tot )= -4.909230 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -4.3590 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.3590 meV lambda( 3 )= 0.061966 gamma= 0.004255 meV omega= 8.6419 meV lambda( tot )= 0.061966 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.323731 gamma= 0.018407 meV omega= 7.8640 meV lambda( tot )= 0.323731 ------------------------------------------------------------------- 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 )= -1.527450 gamma= -0.010571 meV omega= 2.7436 meV lambda( 2 )= -2.181161 gamma= -0.022046 meV omega= 3.3156 meV lambda( 3 )= -0.429759 gamma= -0.013093 meV omega= 5.7564 meV lambda( tot )= -4.138371 ------------------------------------------------------------------- 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 )= -0.565739 gamma= -0.007441 meV omega= 3.7822 meV lambda( 2 )= -0.093311 gamma= -0.001227 meV omega= 3.7822 meV lambda( 3 )= 0.039273 gamma= 0.000774 meV omega= 4.6312 meV lambda( tot )= -0.619776 ------------------------------------------------------------------- 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 )= -2.562600 gamma= -0.017735 meV omega= 2.7436 meV lambda( 2 )= -2.787687 gamma= -0.028176 meV omega= 3.3156 meV lambda( 3 )= -0.413607 gamma= -0.012601 meV omega= 5.7564 meV lambda( tot )= -5.763894 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.190566 gamma= 0.010835 meV omega= 7.8640 meV lambda( tot )= 0.190566 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.203220 gamma= 0.011555 meV omega= 7.8640 meV lambda( tot )= 0.203220 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.8257 meV lambda( 2 )= -4.129161 gamma= -0.044100 meV omega= 3.4083 meV lambda( 3 )= -0.574118 gamma= -0.030857 meV omega= 7.6458 meV lambda( tot )= -4.703279 ------------------------------------------------------------------- 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 )= -232.076982 gamma= -0.176654 meV omega= 0.9099 meV lambda( 2 )= -0.511618 gamma= -0.014889 meV omega= 5.6261 meV lambda( 3 )= 0.287431 gamma= 0.008708 meV omega= 5.7405 meV lambda( tot )= -232.301168 ------------------------------------------------------------------- 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 )= -1.624194 gamma= -0.011241 meV omega= 2.7436 meV lambda( 2 )= -1.930901 gamma= -0.019516 meV omega= 3.3156 meV lambda( 3 )= -0.458956 gamma= -0.013982 meV omega= 5.7564 meV lambda( tot )= -4.014051 ------------------------------------------------------------------- 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 )= 0.078628 gamma= 0.000856 meV omega= 3.4410 meV lambda( 2 )= 1.885387 gamma= 0.023519 meV omega= 3.6835 meV lambda( 3 )= -0.238196 gamma= -0.004164 meV omega= 4.3604 meV lambda( tot )= 1.725819 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -21.740041 gamma= -0.066730 meV omega= 1.8272 meV lambda( 3 )= -0.177661 gamma= -0.006921 meV omega= 6.5091 meV lambda( tot )= -21.917702 ------------------------------------------------------------------- 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 )= -2.804439 gamma= -0.019409 meV omega= 2.7436 meV lambda( 2 )= -2.885428 gamma= -0.029164 meV omega= 3.3156 meV lambda( 3 )= -0.299559 gamma= -0.009126 meV omega= 5.7564 meV lambda( tot )= -5.989426 ------------------------------------------------------------------- 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 )= -206.970487 gamma= -0.157543 meV omega= 0.9099 meV lambda( 2 )= -0.836974 gamma= -0.024358 meV omega= 5.6261 meV lambda( 3 )= 0.244177 gamma= 0.007398 meV omega= 5.7405 meV lambda( tot )= -207.563284 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.8257 meV lambda( 2 )= -4.889664 gamma= -0.052222 meV omega= 3.4083 meV lambda( 3 )= -0.586395 gamma= -0.031517 meV omega= 7.6458 meV lambda( tot )= -5.476060 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.347538 gamma= 0.019761 meV omega= 7.8640 meV lambda( tot )= 0.347538 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -11.742585 gamma= -0.036043 meV omega= 1.8272 meV lambda( 3 )= -0.354558 gamma= -0.013811 meV omega= 6.5091 meV lambda( tot )= -12.097143 ------------------------------------------------------------------- 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 )= 0.861416 gamma= 0.009378 meV omega= 3.4410 meV lambda( 2 )= 2.163868 gamma= 0.026993 meV omega= 3.6835 meV lambda( 3 )= -0.137432 gamma= -0.002402 meV omega= 4.3604 meV lambda( tot )= 2.887851 ------------------------------------------------------------------- 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 )= 0.253543 gamma= 0.001356 meV omega= 2.4121 meV lambda( 2 )= 0.263498 gamma= 0.001410 meV omega= 2.4121 meV lambda( 3 )= 0.860428 gamma= 0.008763 meV omega= 3.3283 meV lambda( tot )= 1.377469 ------------------------------------------------------------------- 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 )= 0.642067 gamma= 0.006990 meV omega= 3.4410 meV lambda( 2 )= 1.927802 gamma= 0.024048 meV omega= 3.6835 meV lambda( 3 )= -0.561039 gamma= -0.009807 meV omega= 4.3604 meV lambda( tot )= 2.008831 ------------------------------------------------------------------- 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 )= 0.536372 gamma= 0.004599 meV omega= 3.0538 meV lambda( 2 )= 0.137963 gamma= 0.001703 meV omega= 3.6637 meV lambda( 3 )= 0.133160 gamma= 0.005226 meV omega= 6.5334 meV lambda( tot )= 0.807495 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.263189 gamma= 0.014965 meV omega= 7.8640 meV lambda( tot )= 0.263189 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -4.4985 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.4985 meV lambda( 3 )= 0.194189 gamma= 0.009614 meV omega= 7.3381 meV lambda( tot )= 0.194189 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= -0.111179 gamma= -0.003075 meV omega= 5.4851 meV lambda( tot )= -0.111179 ------------------------------------------------------------------- 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 )= 0.418200 gamma= 0.004553 meV omega= 3.4410 meV lambda( 2 )= 2.130700 gamma= 0.026579 meV omega= 3.6835 meV lambda( 3 )= -0.189075 gamma= -0.003305 meV omega= 4.3604 meV lambda( tot )= 2.359826 ------------------------------------------------------------------- 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 )= -1.376850 gamma= -0.009529 meV omega= 2.7436 meV lambda( 2 )= -1.916779 gamma= -0.019374 meV omega= 3.3156 meV lambda( 3 )= -0.456334 gamma= -0.013902 meV omega= 5.7564 meV lambda( tot )= -3.749963 ------------------------------------------------------------------- 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 )= -224.150764 gamma= -0.170621 meV omega= 0.9099 meV lambda( 2 )= -0.742654 gamma= -0.021613 meV omega= 5.6261 meV lambda( 3 )= 0.222650 gamma= 0.006746 meV omega= 5.7405 meV lambda( tot )= -224.670769 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.8257 meV lambda( 2 )= -4.447296 gamma= -0.047497 meV omega= 3.4083 meV lambda( 3 )= -0.598333 gamma= -0.032159 meV omega= 7.6458 meV lambda( tot )= -5.045629 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.219767 gamma= 0.012496 meV omega= 7.8640 meV lambda( tot )= 0.219767 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -23.275738 gamma= -0.071443 meV omega= 1.8272 meV lambda( 3 )= -0.278888 gamma= -0.010864 meV omega= 6.5091 meV lambda( tot )= -23.554626 ------------------------------------------------------------------- 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 )= 0.560026 gamma= 0.004802 meV omega= 3.0538 meV lambda( 2 )= 0.136480 gamma= 0.001684 meV omega= 3.6637 meV lambda( 3 )= 0.136500 gamma= 0.005357 meV omega= 6.5334 meV lambda( tot )= 0.833006 ------------------------------------------------------------------- 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 )= -252.705859 gamma= -0.192357 meV omega= 0.9099 meV lambda( 2 )= -0.544434 gamma= -0.015844 meV omega= 5.6261 meV lambda( 3 )= 0.242221 gamma= 0.007339 meV omega= 5.7405 meV lambda( tot )= -253.008072 ------------------------------------------------------------------- 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 )= 0.539465 gamma= 0.004625 meV omega= 3.0538 meV lambda( 2 )= 0.139947 gamma= 0.001727 meV omega= 3.6637 meV lambda( 3 )= 0.137489 gamma= 0.005396 meV omega= 6.5334 meV lambda( tot )= 0.816901 ------------------------------------------------------------------- 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 )= -222.000797 gamma= -0.168984 meV omega= 0.9099 meV lambda( 2 )= -0.708117 gamma= -0.020608 meV omega= 5.6261 meV lambda( 3 )= 0.234005 gamma= 0.007090 meV omega= 5.7405 meV lambda( tot )= -222.474910 ------------------------------------------------------------------- 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 )= 0.536626 gamma= 0.004601 meV omega= 3.0538 meV lambda( 2 )= 0.136138 gamma= 0.001680 meV omega= 3.6637 meV lambda( 3 )= 0.133121 gamma= 0.005224 meV omega= 6.5334 meV lambda( tot )= 0.805885 ------------------------------------------------------------------- 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 )= -215.832549 gamma= -0.164289 meV omega= 0.9099 meV lambda( 2 )= -0.737840 gamma= -0.021473 meV omega= 5.6261 meV lambda( 3 )= 0.277062 gamma= 0.008394 meV omega= 5.7405 meV lambda( tot )= -216.293327 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.308008 gamma= 0.017513 meV omega= 7.8640 meV lambda( tot )= 0.308008 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.8257 meV lambda( 2 )= -3.091461 gamma= -0.033017 meV omega= 3.4083 meV lambda( 3 )= -0.748200 gamma= -0.040214 meV omega= 7.6458 meV lambda( tot )= -3.839661 ------------------------------------------------------------------- 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 )= -244.687534 gamma= -0.186253 meV omega= 0.9099 meV lambda( 2 )= -0.584524 gamma= -0.017011 meV omega= 5.6261 meV lambda( 3 )= 0.222481 gamma= 0.006741 meV omega= 5.7405 meV lambda( tot )= -245.049577 ------------------------------------------------------------------- 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 )= -1.507535 gamma= -0.010433 meV omega= 2.7436 meV lambda( 2 )= -2.281909 gamma= -0.023064 meV omega= 3.3156 meV lambda( 3 )= -0.545549 gamma= -0.016620 meV omega= 5.7564 meV lambda( tot )= -4.334992 ------------------------------------------------------------------- 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 )= 0.678338 gamma= 0.007385 meV omega= 3.4410 meV lambda( 2 )= 2.368971 gamma= 0.029551 meV omega= 3.6835 meV lambda( 3 )= -0.030253 gamma= -0.000529 meV omega= 4.3604 meV lambda( tot )= 3.017056 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -20.292869 gamma= -0.062288 meV omega= 1.8272 meV lambda( 3 )= -0.257708 gamma= -0.010039 meV omega= 6.5091 meV lambda( tot )= -20.550576 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -4.4985 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.4985 meV lambda( 3 )= 0.190891 gamma= 0.009451 meV omega= 7.3381 meV lambda( tot )= 0.190891 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.305702 gamma= 0.017382 meV omega= 7.8640 meV lambda( tot )= 0.305702 ------------------------------------------------------------------- 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 )= 0.560341 gamma= 0.004804 meV omega= 3.0538 meV lambda( 2 )= 0.138105 gamma= 0.001704 meV omega= 3.6637 meV lambda( 3 )= 0.136551 gamma= 0.005359 meV omega= 6.5334 meV lambda( tot )= 0.834998 ------------------------------------------------------------------- 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 )= 0.301270 gamma= 0.003280 meV omega= 3.4410 meV lambda( 2 )= 2.155177 gamma= 0.026885 meV omega= 3.6835 meV lambda( 3 )= -0.177762 gamma= -0.003107 meV omega= 4.3604 meV lambda( tot )= 2.278685 ------------------------------------------------------------------- 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 )= 0.276458 gamma= 0.001479 meV omega= 2.4121 meV lambda( 2 )= 0.271042 gamma= 0.001450 meV omega= 2.4121 meV lambda( 3 )= 0.875104 gamma= 0.008912 meV omega= 3.3283 meV lambda( tot )= 1.422604 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= -0.126212 gamma= -0.003491 meV omega= 5.4851 meV lambda( tot )= -0.126212 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= -0.068095 gamma= -0.001884 meV omega= 5.4851 meV lambda( tot )= -0.068095 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -25.812099 gamma= -0.079229 meV omega= 1.8272 meV lambda( 3 )= -0.222268 gamma= -0.008658 meV omega= 6.5091 meV lambda( tot )= -26.034367 ------------------------------------------------------------------- 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 )= -221.766810 gamma= -0.168806 meV omega= 0.9099 meV lambda( 2 )= -0.712727 gamma= -0.020742 meV omega= 5.6261 meV lambda( 3 )= 0.287308 gamma= 0.008705 meV omega= 5.7405 meV lambda( tot )= -222.192229 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -18.445524 gamma= -0.056617 meV omega= 1.8272 meV lambda( 3 )= -0.219634 gamma= -0.008556 meV omega= 6.5091 meV lambda( tot )= -18.665158 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= -0.041313 gamma= -0.001143 meV omega= 5.4851 meV lambda( tot )= -0.041313 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.7995 meV lambda( 2 )= 2.326802 gamma= 0.012638 meV omega= 2.4305 meV lambda( 3 )= -0.637509 gamma= -0.005556 meV omega= 3.0788 meV lambda( tot )= 1.689293 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.5943 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.7995 meV lambda( 2 )= 2.431097 gamma= 0.013204 meV omega= 2.4305 meV lambda( 3 )= -0.384748 gamma= -0.003353 meV omega= 3.0788 meV lambda( tot )= 2.046349 ------------------------------------------------------------------- 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 )= -0.001653 gamma= -0.000018 meV omega= 3.4410 meV lambda( 2 )= 1.565424 gamma= 0.019528 meV omega= 3.6835 meV lambda( 3 )= -0.256121 gamma= -0.004477 meV omega= 4.3604 meV lambda( tot )= 1.307650 ------------------------------------------------------------------- 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 )= -2.235816 gamma= -0.015474 meV omega= 2.7436 meV lambda( 2 )= -1.738132 gamma= -0.017568 meV omega= 3.3156 meV lambda( 3 )= -0.457394 gamma= -0.013935 meV omega= 5.7564 meV lambda( tot )= -4.431342 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= 0.064854 gamma= 0.001794 meV omega= 5.4851 meV lambda( tot )= 0.064854 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.2765 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2765 meV lambda( 3 )= 1.149185 gamma= 0.017439 meV omega= 4.0627 meV lambda( tot )= 1.149185 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.7995 meV lambda( 2 )= 2.452977 gamma= 0.013323 meV omega= 2.4305 meV lambda( 3 )= -0.508349 gamma= -0.004430 meV omega= 3.0788 meV lambda( tot )= 1.944628 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= 0.201816 gamma= 0.005583 meV omega= 5.4851 meV lambda( tot )= 0.201816 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -11.643305 gamma= -0.035738 meV omega= 1.8272 meV lambda( 3 )= -0.336201 gamma= -0.013096 meV omega= 6.5091 meV lambda( tot )= -11.979506 ------------------------------------------------------------------- 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 )= -231.125638 gamma= -0.175930 meV omega= 0.9099 meV lambda( 2 )= -0.483503 gamma= -0.014071 meV omega= 5.6261 meV lambda( 3 )= 0.145046 gamma= 0.004394 meV omega= 5.7405 meV lambda( tot )= -231.464095 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -20.385577 gamma= -0.062572 meV omega= 1.8272 meV lambda( 3 )= -0.259904 gamma= -0.010124 meV omega= 6.5091 meV lambda( tot )= -20.645480 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= -0.018525 gamma= -0.000512 meV omega= 5.4851 meV lambda( tot )= -0.018525 ------------------------------------------------------------------- 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 )= 0.472560 gamma= 0.005144 meV omega= 3.4410 meV lambda( 2 )= 2.125390 gamma= 0.026513 meV omega= 3.6835 meV lambda( 3 )= -0.512086 gamma= -0.008951 meV omega= 4.3604 meV lambda( tot )= 2.085865 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -19.545899 gamma= -0.059995 meV omega= 1.8272 meV lambda( 3 )= -0.300107 gamma= -0.011690 meV omega= 6.5091 meV lambda( tot )= -19.846006 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.284317 gamma= 0.016166 meV omega= 7.8640 meV lambda( tot )= 0.284317 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.8257 meV lambda( 2 )= -2.861059 gamma= -0.030556 meV omega= 3.4083 meV lambda( 3 )= -0.613726 gamma= -0.032986 meV omega= 7.6458 meV lambda( tot )= -3.474785 ------------------------------------------------------------------- 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 )= -225.526033 gamma= -0.171668 meV omega= 0.9099 meV lambda( 2 )= -0.577109 gamma= -0.016795 meV omega= 5.6261 meV lambda( 3 )= 0.249414 gamma= 0.007557 meV omega= 5.7405 meV lambda( tot )= -225.853729 ------------------------------------------------------------------- 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 )= -2.457698 gamma= -0.017009 meV omega= 2.7436 meV lambda( 2 )= -2.471596 gamma= -0.024981 meV omega= 3.3156 meV lambda( 3 )= -0.498047 gamma= -0.015173 meV omega= 5.7564 meV lambda( tot )= -5.427341 ------------------------------------------------------------------- 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 )= -1.177818 gamma= -0.008151 meV omega= 2.7436 meV lambda( 2 )= -2.006372 gamma= -0.020279 meV omega= 3.3156 meV lambda( 3 )= -0.411068 gamma= -0.012523 meV omega= 5.7564 meV lambda( tot )= -3.595257 ------------------------------------------------------------------- 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 )= -215.932630 gamma= -0.164365 meV omega= 0.9099 meV lambda( 2 )= -0.690894 gamma= -0.020107 meV omega= 5.6261 meV lambda( 3 )= 0.243993 gamma= 0.007392 meV omega= 5.7405 meV lambda( tot )= -216.379531 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.8257 meV lambda( 2 )= -4.517565 gamma= -0.048248 meV omega= 3.4083 meV lambda( 3 )= -0.558108 gamma= -0.029997 meV omega= 7.6458 meV lambda( tot )= -5.075673 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0209 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7837 meV lambda( 3 )= 0.269525 gamma= 0.015325 meV omega= 7.8640 meV lambda( tot )= 0.269525 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -18.139900 gamma= -0.055679 meV omega= 1.8272 meV lambda( 3 )= -0.277388 gamma= -0.010805 meV omega= 6.5091 meV lambda( tot )= -18.417289 ------------------------------------------------------------------- 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 )= 0.312782 gamma= 0.003405 meV omega= 3.4410 meV lambda( 2 )= 1.716580 gamma= 0.021413 meV omega= 3.6835 meV lambda( 3 )= -0.367478 gamma= -0.006424 meV omega= 4.3604 meV lambda( tot )= 1.661883 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= -0.010500 gamma= -0.000290 meV omega= 5.4851 meV lambda( tot )= -0.010500 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -17.413096 gamma= -0.053448 meV omega= 1.8272 meV lambda( 3 )= -0.181342 gamma= -0.007064 meV omega= 6.5091 meV lambda( tot )= -17.594438 ------------------------------------------------------------------- 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 )= -205.058433 gamma= -0.156088 meV omega= 0.9099 meV lambda( 2 )= -0.657057 gamma= -0.019122 meV omega= 5.6261 meV lambda( 3 )= 0.149891 gamma= 0.004541 meV omega= 5.7405 meV lambda( tot )= -205.565599 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.1518 meV lambda( 2 )= -22.017891 gamma= -0.067582 meV omega= 1.8272 meV lambda( 3 )= -0.382281 gamma= -0.014891 meV omega= 6.5091 meV lambda( tot )= -22.400171 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= 0.010827 gamma= 0.000299 meV omega= 5.4851 meV lambda( tot )= 0.010827 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.7995 meV lambda( 2 )= 3.886039 gamma= 0.021106 meV omega= 2.4305 meV lambda( 3 )= -0.476927 gamma= -0.004156 meV omega= 3.0788 meV lambda( tot )= 3.409111 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.2765 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2765 meV lambda( 3 )= 0.948372 gamma= 0.014392 meV omega= 4.0627 meV lambda( tot )= 0.948372 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -3.0878 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.9013 meV lambda( 3 )= 0.152809 gamma= 0.004227 meV omega= 5.4851 meV lambda( tot )= 0.152809 ------------------------------------------------------------------- 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 )= -0.949269 gamma= -0.006570 meV omega= 2.7436 meV lambda( 2 )= -2.221612 gamma= -0.022455 meV omega= 3.3156 meV lambda( 3 )= -0.351088 gamma= -0.010696 meV omega= 5.7564 meV lambda( tot )= -3.521969 ------------------------------------------------------------------- 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 )= 0.333301 gamma= 0.003628 meV omega= 3.4410 meV lambda( 2 )= 2.449838 gamma= 0.030560 meV omega= 3.6835 meV lambda( 3 )= -0.263087 gamma= -0.004599 meV omega= 4.3604 meV lambda( tot )= 2.520052 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -2.7995 meV lambda( 2 )= 3.236492 gamma= 0.017578 meV omega= 2.4305 meV lambda( 3 )= -0.757733 gamma= -0.006604 meV omega= 3.0788 meV lambda( tot )= 2.478759 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.1550 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.5943 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- 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( 3 )= 4.8113 eV Re[Sigma]= 602.643920 meV Im[Sigma]= 341.680337 meV Z= 0.970387 lam= 0.030517 E( 4 )= 4.8113 eV Re[Sigma]= 602.453264 meV Im[Sigma]= 341.714631 meV Z= 0.970429 lam= 0.030472 E( 5 )= 8.2392 eV Re[Sigma]= 282.476881 meV Im[Sigma]= 4.991980 meV Z= 0.956905 lam= 0.045036 E( 6 )= 8.2392 eV Re[Sigma]= 281.839024 meV Im[Sigma]= 5.021659 meV Z= 0.957005 lam= 0.044926 E( 7 )= 8.2392 eV Re[Sigma]= 282.666188 meV Im[Sigma]= 5.082921 meV Z= 0.956829 lam= 0.045119 E( 8 )= 8.2392 eV Re[Sigma]= 279.929277 meV Im[Sigma]= 5.079440 meV Z= 0.957266 lam= 0.044641 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 3 )= 3.4118 eV Re[Sigma]= 397.819894 meV Im[Sigma]= 1146.722706 meV Z= 1.224201 lam= -0.183141 E( 4 )= 3.4119 eV Re[Sigma]= 397.243427 meV Im[Sigma]= 1147.381245 meV Z= 1.225242 lam= -0.183835 E( 5 )= 6.3639 eV Re[Sigma]= 561.497914 meV Im[Sigma]= 280.774755 meV Z= 0.969392 lam= 0.031575 E( 6 )= 6.3640 eV Re[Sigma]= 561.633405 meV Im[Sigma]= 280.623833 meV Z= 0.969354 lam= 0.031615 E( 7 )= 7.7486 eV Re[Sigma]= 435.514219 meV Im[Sigma]= 24.787473 meV Z= 0.933804 lam= 0.070889 E( 8 )= 7.7512 eV Re[Sigma]= 437.375689 meV Im[Sigma]= 24.412798 meV Z= 0.933409 lam= 0.071342 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -578.676053 meV Im[Sigma]= 535.389858 meV Z= 0.929241 lam= 0.076148 E( 4 )= -1.9925 eV Re[Sigma]= -578.659618 meV Im[Sigma]= 535.200254 meV Z= 0.929110 lam= 0.076299 E( 5 )= 4.6996 eV Re[Sigma]= 786.756906 meV Im[Sigma]= 878.981241 meV Z= 1.053180 lam= -0.050495 E( 6 )= 4.6996 eV Re[Sigma]= 786.615547 meV Im[Sigma]= 878.871648 meV Z= 1.053272 lam= -0.050578 E( 7 )= 6.6655 eV Re[Sigma]= 753.096658 meV Im[Sigma]= 253.183465 meV Z= 0.933747 lam= 0.070954 E( 8 )= 6.6655 eV Re[Sigma]= 753.887819 meV Im[Sigma]= 254.105997 meV Z= 0.933652 lam= 0.071063 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -6.0650 eV Re[Sigma]= -386.980427 meV Im[Sigma]= 3.783750 meV Z= 0.929896 lam= 0.075389 E( 4 )= -6.0650 eV Re[Sigma]= -387.128276 meV Im[Sigma]= 3.784778 meV Z= 0.929867 lam= 0.075422 E( 5 )= 4.1640 eV Re[Sigma]= 784.396781 meV Im[Sigma]= 1870.379063 meV Z= 3.832891 lam= -0.739100 E( 6 )= 4.1640 eV Re[Sigma]= 786.223501 meV Im[Sigma]= 1870.066990 meV Z= 3.826148 lam= -0.738641 E( 7 )= 6.0704 eV Re[Sigma]= 617.263849 meV Im[Sigma]= 353.389052 meV Z= 0.949509 lam= 0.053176 E( 8 )= 6.0704 eV Re[Sigma]= 617.155686 meV Im[Sigma]= 353.381829 meV Z= 0.949404 lam= 0.053293 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -579.607678 meV Im[Sigma]= 526.325227 meV Z= 0.930551 lam= 0.074632 E( 4 )= -1.9925 eV Re[Sigma]= -579.651817 meV Im[Sigma]= 526.476738 meV Z= 0.930567 lam= 0.074613 E( 5 )= 4.6996 eV Re[Sigma]= 799.804368 meV Im[Sigma]= 917.983286 meV Z= 1.067244 lam= -0.063007 E( 6 )= 4.6996 eV Re[Sigma]= 800.221756 meV Im[Sigma]= 916.764666 meV Z= 1.066758 lam= -0.062580 E( 7 )= 6.6655 eV Re[Sigma]= 745.982828 meV Im[Sigma]= 247.153933 meV Z= 0.934680 lam= 0.069884 E( 8 )= 6.6655 eV Re[Sigma]= 745.776521 meV Im[Sigma]= 246.638175 meV Z= 0.934667 lam= 0.069900 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 3 )= 3.4118 eV Re[Sigma]= 384.142344 meV Im[Sigma]= 1162.379446 meV Z= 1.234753 lam= -0.190121 E( 4 )= 3.4119 eV Re[Sigma]= 384.296703 meV Im[Sigma]= 1162.650081 meV Z= 1.235020 lam= -0.190297 E( 5 )= 6.3639 eV Re[Sigma]= 565.661917 meV Im[Sigma]= 286.552374 meV Z= 0.969267 lam= 0.031708 E( 6 )= 6.3640 eV Re[Sigma]= 566.076471 meV Im[Sigma]= 286.345421 meV Z= 0.969075 lam= 0.031912 E( 7 )= 7.7486 eV Re[Sigma]= 435.778413 meV Im[Sigma]= 24.160818 meV Z= 0.934175 lam= 0.070463 E( 8 )= 7.7512 eV Re[Sigma]= 438.191242 meV Im[Sigma]= 23.679853 meV Z= 0.933603 lam= 0.071119 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 3 )= 3.4118 eV Re[Sigma]= 390.408399 meV Im[Sigma]= 1138.974018 meV Z= 1.217361 lam= -0.178551 E( 4 )= 3.4120 eV Re[Sigma]= 390.201727 meV Im[Sigma]= 1139.505851 meV Z= 1.217836 lam= -0.178871 E( 5 )= 6.3639 eV Re[Sigma]= 565.846408 meV Im[Sigma]= 297.505338 meV Z= 0.973475 lam= 0.027248 E( 6 )= 6.3640 eV Re[Sigma]= 566.100766 meV Im[Sigma]= 297.111969 meV Z= 0.973296 lam= 0.027436 E( 7 )= 7.7486 eV Re[Sigma]= 437.254568 meV Im[Sigma]= 25.970862 meV Z= 0.934401 lam= 0.070204 E( 8 )= 7.7511 eV Re[Sigma]= 439.684250 meV Im[Sigma]= 25.658556 meV Z= 0.933888 lam= 0.070792 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 3 )= 3.4357 eV Re[Sigma]= 486.665575 meV Im[Sigma]= 1057.803829 meV Z= 1.165454 lam= -0.141965 E( 4 )= 3.4360 eV Re[Sigma]= 486.501060 meV Im[Sigma]= 1058.226919 meV Z= 1.165675 lam= -0.142128 E( 5 )= 6.1190 eV Re[Sigma]= 529.622250 meV Im[Sigma]= 189.825453 meV Z= 0.936545 lam= 0.067754 E( 6 )= 6.1191 eV Re[Sigma]= 529.238726 meV Im[Sigma]= 188.495232 meV Z= 0.936269 lam= 0.068070 E( 7 )= 6.6655 eV Re[Sigma]= 582.816420 meV Im[Sigma]= 314.505959 meV Z= 1.014902 lam= -0.014683 E( 8 )= 6.6659 eV Re[Sigma]= 583.059700 meV Im[Sigma]= 314.668572 meV Z= 1.014972 lam= -0.014751 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -0.0704 eV Re[Sigma]= -405.467295 meV Im[Sigma]= 1041.398749 meV Z= 1.254248 lam= -0.202710 E( 4 )= -0.0218 eV Re[Sigma]= -390.505273 meV Im[Sigma]= 1072.159980 meV Z= 1.267648 lam= -0.211138 E( 5 )= 3.8444 eV Re[Sigma]= 542.825782 meV Im[Sigma]= 1428.827635 meV Z= 1.408484 lam= -0.290017 E( 6 )= 3.8981 eV Re[Sigma]= 558.658238 meV Im[Sigma]= 1421.066635 meV Z= 1.425570 lam= -0.298526 E( 7 )= 5.5419 eV Re[Sigma]= 830.806481 meV Im[Sigma]= 765.090032 meV Z= 1.098099 lam= -0.089336 E( 8 )= 5.5437 eV Re[Sigma]= 831.307172 meV Im[Sigma]= 772.902522 meV Z= 1.101497 lam= -0.092145 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -963.603374 meV Im[Sigma]= 583.175489 meV Z= 0.982088 lam= 0.018239 E( 4 )= -4.6608 eV Re[Sigma]= -967.397836 meV Im[Sigma]= 601.700238 meV Z= 0.985878 lam= 0.014324 E( 5 )= 2.8057 eV Re[Sigma]= 442.064090 meV Im[Sigma]= 3101.827487 meV Z= -15.050825 lam= -1.066442 E( 6 )= 2.8231 eV Re[Sigma]= 469.128069 meV Im[Sigma]= 3121.050436 meV Z= -13.585220 lam= -1.073609 E( 7 )= 4.6193 eV Re[Sigma]= 890.630172 meV Im[Sigma]= 1122.819387 meV Z= 1.011135 lam= -0.011012 E( 8 )= 4.6233 eV Re[Sigma]= 896.113850 meV Im[Sigma]= 1117.061792 meV Z= 1.007708 lam= -0.007649 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -678.044123 meV Im[Sigma]= 1656.139687 meV Z= 2.191152 lam= -0.543619 E( 4 )= -3.2357 eV Re[Sigma]= -659.550688 meV Im[Sigma]= 1659.737614 meV Z= 2.120699 lam= -0.528457 E( 5 )= 2.4485 eV Re[Sigma]= -11.467388 meV Im[Sigma]= 2326.477213 meV Z= 1.937075 lam= -0.483758 E( 6 )= 2.4799 eV Re[Sigma]= 1.740719 meV Im[Sigma]= 2362.721312 meV Z= 2.105154 lam= -0.524975 E( 7 )= 5.4114 eV Re[Sigma]= 736.883884 meV Im[Sigma]= 678.766273 meV Z= 1.067167 lam= -0.062939 E( 8 )= 5.4149 eV Re[Sigma]= 737.185822 meV Im[Sigma]= 679.016858 meV Z= 1.067069 lam= -0.062853 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 3 )= 1.1983 eV Re[Sigma]= -26.247809 meV Im[Sigma]= 1039.190633 meV Z= 1.047401 lam= -0.045255 E( 4 )= 1.2959 eV Re[Sigma]= -5.374135 meV Im[Sigma]= 1028.554754 meV Z= 1.022168 lam= -0.021687 E( 5 )= 4.0594 eV Re[Sigma]= 632.704043 meV Im[Sigma]= 1871.903979 meV Z= 2.074925 lam= -0.518055 E( 6 )= 4.1709 eV Re[Sigma]= 715.450688 meV Im[Sigma]= 1843.639804 meV Z= 1.962190 lam= -0.490365 E( 7 )= 6.8268 eV Re[Sigma]= 506.746304 meV Im[Sigma]= 188.622612 meV Z= 0.976566 lam= 0.023996 E( 8 )= 6.8349 eV Re[Sigma]= 504.882810 meV Im[Sigma]= 181.367350 meV Z= 0.973755 lam= 0.026952 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -576.344217 meV Im[Sigma]= 529.293577 meV Z= 0.931128 lam= 0.073967 E( 4 )= -1.9925 eV Re[Sigma]= -576.383276 meV Im[Sigma]= 529.258649 meV Z= 0.931271 lam= 0.073802 E( 5 )= 4.6996 eV Re[Sigma]= 807.870783 meV Im[Sigma]= 923.858373 meV Z= 1.066378 lam= -0.062246 E( 6 )= 4.6996 eV Re[Sigma]= 807.290815 meV Im[Sigma]= 924.986107 meV Z= 1.066821 lam= -0.062635 E( 7 )= 6.6655 eV Re[Sigma]= 739.526929 meV Im[Sigma]= 253.826241 meV Z= 0.939101 lam= 0.064848 E( 8 )= 6.6655 eV Re[Sigma]= 741.043274 meV Im[Sigma]= 255.747742 meV Z= 0.938964 lam= 0.065004 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -0.0704 eV Re[Sigma]= -417.041700 meV Im[Sigma]= 1051.170308 meV Z= 1.256167 lam= -0.203928 E( 4 )= -0.0218 eV Re[Sigma]= -400.415682 meV Im[Sigma]= 1080.725610 meV Z= 1.268853 lam= -0.211887 E( 5 )= 3.8444 eV Re[Sigma]= 519.261909 meV Im[Sigma]= 1414.638103 meV Z= 1.392124 lam= -0.281673 E( 6 )= 3.8980 eV Re[Sigma]= 534.768662 meV Im[Sigma]= 1407.105529 meV Z= 1.407708 lam= -0.289625 E( 7 )= 5.5420 eV Re[Sigma]= 836.091726 meV Im[Sigma]= 771.785038 meV Z= 1.104166 lam= -0.094339 E( 8 )= 5.5437 eV Re[Sigma]= 837.564576 meV Im[Sigma]= 779.971334 meV Z= 1.107499 lam= -0.097065 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -0.6549 eV Re[Sigma]= -404.356930 meV Im[Sigma]= 503.747284 meV Z= 0.930375 lam= 0.074836 E( 4 )= -0.6549 eV Re[Sigma]= -404.647600 meV Im[Sigma]= 504.227920 meV Z= 0.930511 lam= 0.074679 E( 5 )= 2.1592 eV Re[Sigma]= 86.540046 meV Im[Sigma]= 889.725432 meV Z= 1.094091 lam= -0.086000 E( 6 )= 2.1592 eV Re[Sigma]= 86.590207 meV Im[Sigma]= 888.918286 meV Z= 1.093602 lam= -0.085591 E( 7 )= 3.3797 eV Re[Sigma]= 284.134155 meV Im[Sigma]= 1113.275877 meV Z= 1.237539 lam= -0.191945 E( 8 )= 3.3797 eV Re[Sigma]= 283.977852 meV Im[Sigma]= 1112.666451 meV Z= 1.236798 lam= -0.191461 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3433 eV Re[Sigma]= -738.820307 meV Im[Sigma]= 1041.171223 meV Z= 1.380954 lam= -0.275863 E( 4 )= -3.3233 eV Re[Sigma]= -730.833009 meV Im[Sigma]= 1047.562335 meV Z= 1.381268 lam= -0.276028 E( 5 )= 0.4953 eV Re[Sigma]= -229.276557 meV Im[Sigma]= 1323.552653 meV Z= 1.119184 lam= -0.106492 E( 6 )= 0.5171 eV Re[Sigma]= -221.948800 meV Im[Sigma]= 1337.787010 meV Z= 1.132318 lam= -0.116855 E( 7 )= 2.3315 eV Re[Sigma]= -209.104904 meV Im[Sigma]= 1442.062759 meV Z= 1.289756 lam= -0.224659 E( 8 )= 2.3330 eV Re[Sigma]= -206.402416 meV Im[Sigma]= 1443.644898 meV Z= 1.291277 lam= -0.225573 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -432.376454 meV Im[Sigma]= 1364.989763 meV Z= 0.984931 lam= 0.015299 E( 4 )= -2.6397 eV Re[Sigma]= -435.471017 meV Im[Sigma]= 1356.187473 meV Z= 0.982537 lam= 0.017773 E( 5 )= -1.5697 eV Re[Sigma]= -250.450959 meV Im[Sigma]= 1006.039020 meV Z= 0.773056 lam= 0.293567 E( 6 )= -1.5697 eV Re[Sigma]= -240.419829 meV Im[Sigma]= 1000.956855 meV Z= 0.772013 lam= 0.295315 E( 7 )= 3.4484 eV Re[Sigma]= 774.233595 meV Im[Sigma]= 2058.832127 meV Z= 1.785066 lam= -0.439797 E( 8 )= 3.4484 eV Re[Sigma]= 772.929093 meV Im[Sigma]= 2053.683744 meV Z= 1.775485 lam= -0.436774 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -676.977903 meV Im[Sigma]= 1650.487520 meV Z= 2.181012 lam= -0.541497 E( 4 )= -3.2357 eV Re[Sigma]= -658.165304 meV Im[Sigma]= 1654.908778 meV Z= 2.113338 lam= -0.526815 E( 5 )= 2.4485 eV Re[Sigma]= -3.226070 meV Im[Sigma]= 2341.985209 meV Z= 1.956393 lam= -0.488855 E( 6 )= 2.4799 eV Re[Sigma]= 9.902517 meV Im[Sigma]= 2378.995866 meV Z= 2.131138 lam= -0.530767 E( 7 )= 5.4115 eV Re[Sigma]= 730.732951 meV Im[Sigma]= 662.034680 meV Z= 1.058556 lam= -0.055317 E( 8 )= 5.4149 eV Re[Sigma]= 730.732817 meV Im[Sigma]= 662.356869 meV Z= 1.058400 lam= -0.055178 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -6.0650 eV Re[Sigma]= -387.178239 meV Im[Sigma]= 3.775152 meV Z= 0.929847 lam= 0.075445 E( 4 )= -6.0650 eV Re[Sigma]= -386.840729 meV Im[Sigma]= 3.781229 meV Z= 0.929912 lam= 0.075371 E( 5 )= 4.1639 eV Re[Sigma]= 781.805707 meV Im[Sigma]= 1864.447347 meV Z= 3.769453 lam= -0.734709 E( 6 )= 4.1639 eV Re[Sigma]= 783.588714 meV Im[Sigma]= 1864.074761 meV Z= 3.761080 lam= -0.734119 E( 7 )= 6.0705 eV Re[Sigma]= 617.325632 meV Im[Sigma]= 351.907545 meV Z= 0.949022 lam= 0.053716 E( 8 )= 6.0705 eV Re[Sigma]= 616.992277 meV Im[Sigma]= 352.028593 meV Z= 0.949168 lam= 0.053554 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -961.379385 meV Im[Sigma]= 582.831258 meV Z= 0.982521 lam= 0.017790 E( 4 )= -4.6609 eV Re[Sigma]= -965.102634 meV Im[Sigma]= 601.147741 meV Z= 0.986203 lam= 0.013990 E( 5 )= 2.8056 eV Re[Sigma]= 415.732656 meV Im[Sigma]= 3027.820529 meV Z= -26.819990 lam= -1.037286 E( 6 )= 2.8229 eV Re[Sigma]= 442.673950 meV Im[Sigma]= 3046.405497 meV Z= -21.626753 lam= -1.046239 E( 7 )= 4.6194 eV Re[Sigma]= 893.063595 meV Im[Sigma]= 1130.530334 meV Z= 1.015134 lam= -0.014908 E( 8 )= 4.6234 eV Re[Sigma]= 897.433764 meV Im[Sigma]= 1124.618758 meV Z= 1.011690 lam= -0.011555 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.3433 eV Re[Sigma]= -737.172253 meV Im[Sigma]= 1050.625133 meV Z= 1.388150 lam= -0.279617 E( 4 )= -3.3233 eV Re[Sigma]= -728.982007 meV Im[Sigma]= 1056.120293 meV Z= 1.387750 lam= -0.279409 E( 5 )= 0.4953 eV Re[Sigma]= -226.269969 meV Im[Sigma]= 1335.320974 meV Z= 1.124986 lam= -0.111100 E( 6 )= 0.5170 eV Re[Sigma]= -218.741303 meV Im[Sigma]= 1347.489913 meV Z= 1.136474 lam= -0.120086 E( 7 )= 2.3316 eV Re[Sigma]= -218.183627 meV Im[Sigma]= 1423.035227 meV Z= 1.269294 lam= -0.212161 E( 8 )= 2.3330 eV Re[Sigma]= -216.230573 meV Im[Sigma]= 1426.127630 meV Z= 1.271994 lam= -0.213833 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.9280 eV Re[Sigma]= -613.329705 meV Im[Sigma]= 234.536842 meV Z= 0.984705 lam= 0.015532 E( 4 )= -4.9280 eV Re[Sigma]= -613.244040 meV Im[Sigma]= 234.532701 meV Z= 0.984721 lam= 0.015516 E( 5 )= 0.4956 eV Re[Sigma]= -7.489385 meV Im[Sigma]= 1268.136422 meV Z= 1.298564 lam= -0.229918 E( 6 )= 0.4956 eV Re[Sigma]= -8.406119 meV Im[Sigma]= 1268.747043 meV Z= 1.298111 lam= -0.229650 E( 7 )= 1.6661 eV Re[Sigma]= 94.056957 meV Im[Sigma]= 541.932954 meV Z= 0.960293 lam= 0.041348 E( 8 )= 1.6661 eV Re[Sigma]= 93.906930 meV Im[Sigma]= 542.326628 meV Z= 0.960218 lam= 0.041430 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.3433 eV Re[Sigma]= -739.713920 meV Im[Sigma]= 1044.576866 meV Z= 1.384060 lam= -0.277488 E( 4 )= -3.3233 eV Re[Sigma]= -732.133043 meV Im[Sigma]= 1049.971470 meV Z= 1.383339 lam= -0.277111 E( 5 )= 0.4953 eV Re[Sigma]= -226.157362 meV Im[Sigma]= 1318.632741 meV Z= 1.116938 lam= -0.104695 E( 6 )= 0.5170 eV Re[Sigma]= -218.760692 meV Im[Sigma]= 1333.287544 meV Z= 1.130359 lam= -0.115325 E( 7 )= 2.3316 eV Re[Sigma]= -206.492841 meV Im[Sigma]= 1443.965668 meV Z= 1.287500 lam= -0.223301 E( 8 )= 2.3330 eV Re[Sigma]= -204.634315 meV Im[Sigma]= 1446.592110 meV Z= 1.289552 lam= -0.224537 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -965.137298 meV Im[Sigma]= 587.331204 meV Z= 0.983140 lam= 0.017149 E( 4 )= -4.6609 eV Re[Sigma]= -968.997485 meV Im[Sigma]= 606.016852 meV Z= 0.986866 lam= 0.013309 E( 5 )= 2.8056 eV Re[Sigma]= 436.320570 meV Im[Sigma]= 3099.697893 meV Z= -14.997075 lam= -1.066680 E( 6 )= 2.8229 eV Re[Sigma]= 463.467375 meV Im[Sigma]= 3119.890792 meV Z= -13.443950 lam= -1.074383 E( 7 )= 4.6195 eV Re[Sigma]= 896.472661 meV Im[Sigma]= 1110.988793 meV Z= 1.005607 lam= -0.005576 E( 8 )= 4.6234 eV Re[Sigma]= 901.862046 meV Im[Sigma]= 1105.560611 meV Z= 1.002099 lam= -0.002095 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -573.845663 meV Im[Sigma]= 540.081522 meV Z= 0.930137 lam= 0.075110 E( 4 )= -1.9925 eV Re[Sigma]= -574.075737 meV Im[Sigma]= 540.414687 meV Z= 0.930235 lam= 0.074997 E( 5 )= 4.6996 eV Re[Sigma]= 790.004018 meV Im[Sigma]= 892.357441 meV Z= 1.058523 lam= -0.055287 E( 6 )= 4.6996 eV Re[Sigma]= 790.227735 meV Im[Sigma]= 892.622958 meV Z= 1.058408 lam= -0.055185 E( 7 )= 6.6655 eV Re[Sigma]= 757.155504 meV Im[Sigma]= 262.913517 meV Z= 0.935469 lam= 0.068982 E( 8 )= 6.6655 eV Re[Sigma]= 754.924181 meV Im[Sigma]= 260.148000 meV Z= 0.935688 lam= 0.068733 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -675.752578 meV Im[Sigma]= 1652.587797 meV Z= 2.172379 lam= -0.539675 E( 4 )= -3.2357 eV Re[Sigma]= -657.699542 meV Im[Sigma]= 1655.792940 meV Z= 2.102236 lam= -0.524316 E( 5 )= 2.4485 eV Re[Sigma]= -3.774297 meV Im[Sigma]= 2312.858471 meV Z= 1.899869 lam= -0.473648 E( 6 )= 2.4799 eV Re[Sigma]= 9.039805 meV Im[Sigma]= 2347.981524 meV Z= 2.062158 lam= -0.515071 E( 7 )= 5.4115 eV Re[Sigma]= 739.333261 meV Im[Sigma]= 673.108992 meV Z= 1.066674 lam= -0.062507 E( 8 )= 5.4149 eV Re[Sigma]= 738.690294 meV Im[Sigma]= 674.263951 meV Z= 1.066517 lam= -0.062369 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -402.053931 meV Im[Sigma]= 1420.322295 meV Z= 0.999658 lam= 0.000342 E( 4 )= -2.6397 eV Re[Sigma]= -407.024392 meV Im[Sigma]= 1405.398531 meV Z= 0.995208 lam= 0.004815 E( 5 )= -1.5697 eV Re[Sigma]= -281.517792 meV Im[Sigma]= 989.294067 meV Z= 0.772495 lam= 0.294507 E( 6 )= -1.5697 eV Re[Sigma]= -282.291979 meV Im[Sigma]= 989.175912 meV Z= 0.772607 lam= 0.294318 E( 7 )= 3.4484 eV Re[Sigma]= 811.351328 meV Im[Sigma]= 2108.244621 meV Z= 1.874672 lam= -0.466573 E( 8 )= 3.4484 eV Re[Sigma]= 809.948365 meV Im[Sigma]= 2103.818397 meV Z= 1.866555 lam= -0.464254 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -737.133676 meV Im[Sigma]= 1059.425588 meV Z= 1.395675 lam= -0.283501 E( 4 )= -3.3233 eV Re[Sigma]= -728.528105 meV Im[Sigma]= 1065.444991 meV Z= 1.395908 lam= -0.283620 E( 5 )= 0.4954 eV Re[Sigma]= -231.583871 meV Im[Sigma]= 1336.586464 meV Z= 1.125488 lam= -0.111497 E( 6 )= 0.5171 eV Re[Sigma]= -224.143007 meV Im[Sigma]= 1348.786593 meV Z= 1.136922 lam= -0.120432 E( 7 )= 2.3315 eV Re[Sigma]= -222.886012 meV Im[Sigma]= 1428.135745 meV Z= 1.270861 lam= -0.213132 E( 8 )= 2.3330 eV Re[Sigma]= -220.785478 meV Im[Sigma]= 1430.839469 meV Z= 1.273252 lam= -0.214610 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -0.6549 eV Re[Sigma]= -406.406202 meV Im[Sigma]= 494.450224 meV Z= 0.926534 lam= 0.079291 E( 4 )= -0.6549 eV Re[Sigma]= -406.490955 meV Im[Sigma]= 494.491920 meV Z= 0.926557 lam= 0.079264 E( 5 )= 2.1592 eV Re[Sigma]= 83.960258 meV Im[Sigma]= 887.145315 meV Z= 1.091883 lam= -0.084151 E( 6 )= 2.1592 eV Re[Sigma]= 83.812607 meV Im[Sigma]= 888.271800 meV Z= 1.092542 lam= -0.084703 E( 7 )= 3.3797 eV Re[Sigma]= 289.175530 meV Im[Sigma]= 1123.136208 meV Z= 1.242918 lam= -0.195442 E( 8 )= 3.3797 eV Re[Sigma]= 289.499319 meV Im[Sigma]= 1124.055284 meV Z= 1.243967 lam= -0.196120 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -0.0704 eV Re[Sigma]= -406.258605 meV Im[Sigma]= 1041.734441 meV Z= 1.252111 lam= -0.201349 E( 4 )= -0.0218 eV Re[Sigma]= -390.699622 meV Im[Sigma]= 1072.035424 meV Z= 1.265355 lam= -0.209708 E( 5 )= 3.8444 eV Re[Sigma]= 535.725151 meV Im[Sigma]= 1456.422024 meV Z= 1.434076 lam= -0.302687 E( 6 )= 3.8980 eV Re[Sigma]= 551.652958 meV Im[Sigma]= 1449.353799 meV Z= 1.452091 lam= -0.311338 E( 7 )= 5.5420 eV Re[Sigma]= 837.933002 meV Im[Sigma]= 764.379709 meV Z= 1.097429 lam= -0.088779 E( 8 )= 5.5437 eV Re[Sigma]= 838.326110 meV Im[Sigma]= 772.240388 meV Z= 1.100645 lam= -0.091442 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 3 )= 3.4118 eV Re[Sigma]= 400.865531 meV Im[Sigma]= 1156.522918 meV Z= 1.227028 lam= -0.185023 E( 4 )= 3.4120 eV Re[Sigma]= 400.350645 meV Im[Sigma]= 1156.795835 meV Z= 1.227247 lam= -0.185168 E( 5 )= 6.3639 eV Re[Sigma]= 561.568833 meV Im[Sigma]= 293.274205 meV Z= 0.973812 lam= 0.026892 E( 6 )= 6.3640 eV Re[Sigma]= 561.864822 meV Im[Sigma]= 293.194279 meV Z= 0.973757 lam= 0.026950 E( 7 )= 7.7486 eV Re[Sigma]= 435.294344 meV Im[Sigma]= 24.164075 meV Z= 0.933663 lam= 0.071051 E( 8 )= 7.7511 eV Re[Sigma]= 437.084247 meV Im[Sigma]= 23.754887 meV Z= 0.933284 lam= 0.071486 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 3 )= 1.1983 eV Re[Sigma]= 9.072505 meV Im[Sigma]= 1067.319008 meV Z= 1.045835 lam= -0.043826 E( 4 )= 1.2959 eV Re[Sigma]= 28.323557 meV Im[Sigma]= 1047.460331 meV Z= 1.018032 lam= -0.017713 E( 5 )= 4.0594 eV Re[Sigma]= 653.694045 meV Im[Sigma]= 1859.630438 meV Z= 2.090959 lam= -0.521751 E( 6 )= 4.1709 eV Re[Sigma]= 734.430465 meV Im[Sigma]= 1821.894540 meV Z= 1.966443 lam= -0.491468 E( 7 )= 6.8268 eV Re[Sigma]= 515.267136 meV Im[Sigma]= 194.042879 meV Z= 0.973469 lam= 0.027254 E( 8 )= 6.8349 eV Re[Sigma]= 515.028884 meV Im[Sigma]= 187.283126 meV Z= 0.970565 lam= 0.030327 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -678.882175 meV Im[Sigma]= 1654.768326 meV Z= 2.174273 lam= -0.540076 E( 4 )= -3.2357 eV Re[Sigma]= -661.012291 meV Im[Sigma]= 1657.034877 meV Z= 2.102267 lam= -0.524323 E( 5 )= 2.4485 eV Re[Sigma]= -9.935601 meV Im[Sigma]= 2315.383637 meV Z= 1.899302 lam= -0.473491 E( 6 )= 2.4799 eV Re[Sigma]= 3.659464 meV Im[Sigma]= 2351.097154 meV Z= 2.061678 lam= -0.514958 E( 7 )= 5.4114 eV Re[Sigma]= 739.479606 meV Im[Sigma]= 659.353782 meV Z= 1.059816 lam= -0.056440 E( 8 )= 5.4149 eV Re[Sigma]= 738.742956 meV Im[Sigma]= 659.983565 meV Z= 1.059628 lam= -0.056273 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -960.056453 meV Im[Sigma]= 580.798436 meV Z= 0.982340 lam= 0.017977 E( 4 )= -4.6608 eV Re[Sigma]= -963.689846 meV Im[Sigma]= 598.881830 meV Z= 0.986034 lam= 0.014164 E( 5 )= 2.8057 eV Re[Sigma]= 412.482384 meV Im[Sigma]= 3042.678007 meV Z= -24.014149 lam= -1.041642 E( 6 )= 2.8231 eV Re[Sigma]= 440.166566 meV Im[Sigma]= 3061.106533 meV Z= -19.715715 lam= -1.050721 E( 7 )= 4.6193 eV Re[Sigma]= 892.760505 meV Im[Sigma]= 1124.827259 meV Z= 1.010618 lam= -0.010506 E( 8 )= 4.6232 eV Re[Sigma]= 897.737918 meV Im[Sigma]= 1117.020263 meV Z= 1.006317 lam= -0.006278 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -0.0704 eV Re[Sigma]= -419.599974 meV Im[Sigma]= 1038.853153 meV Z= 1.247570 lam= -0.198442 E( 4 )= -0.0218 eV Re[Sigma]= -403.535570 meV Im[Sigma]= 1069.766212 meV Z= 1.260772 lam= -0.206835 E( 5 )= 3.8444 eV Re[Sigma]= 517.524906 meV Im[Sigma]= 1428.824225 meV Z= 1.413174 lam= -0.292373 E( 6 )= 3.8981 eV Re[Sigma]= 533.917825 meV Im[Sigma]= 1420.554577 meV Z= 1.427721 lam= -0.299583 E( 7 )= 5.5419 eV Re[Sigma]= 844.280358 meV Im[Sigma]= 759.495482 meV Z= 1.096452 lam= -0.087968 E( 8 )= 5.5437 eV Re[Sigma]= 846.172832 meV Im[Sigma]= 766.699457 meV Z= 1.099055 lam= -0.090128 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 3 )= 3.4357 eV Re[Sigma]= 478.495054 meV Im[Sigma]= 1075.510526 meV Z= 1.172087 lam= -0.146821 E( 4 )= 3.4360 eV Re[Sigma]= 478.385581 meV Im[Sigma]= 1075.808859 meV Z= 1.172510 lam= -0.147129 E( 5 )= 6.1191 eV Re[Sigma]= 529.989461 meV Im[Sigma]= 188.269663 meV Z= 0.936518 lam= 0.067786 E( 6 )= 6.1191 eV Re[Sigma]= 530.173405 meV Im[Sigma]= 188.928537 meV Z= 0.936646 lam= 0.067640 E( 7 )= 6.6655 eV Re[Sigma]= 587.572357 meV Im[Sigma]= 294.915252 meV Z= 1.004111 lam= -0.004094 E( 8 )= 6.6659 eV Re[Sigma]= 587.554013 meV Im[Sigma]= 294.642103 meV Z= 1.004061 lam= -0.004044 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 3 )= 3.4117 eV Re[Sigma]= 391.453629 meV Im[Sigma]= 1157.211444 meV Z= 1.226323 lam= -0.184554 E( 4 )= 3.4118 eV Re[Sigma]= 391.670506 meV Im[Sigma]= 1157.305057 meV Z= 1.226244 lam= -0.184502 E( 5 )= 6.3639 eV Re[Sigma]= 561.892942 meV Im[Sigma]= 286.551014 meV Z= 0.971462 lam= 0.029376 E( 6 )= 6.3640 eV Re[Sigma]= 561.918933 meV Im[Sigma]= 286.548301 meV Z= 0.971461 lam= 0.029377 E( 7 )= 7.7486 eV Re[Sigma]= 434.987290 meV Im[Sigma]= 25.255429 meV Z= 0.934445 lam= 0.070154 E( 8 )= 7.7513 eV Re[Sigma]= 436.791504 meV Im[Sigma]= 24.841748 meV Z= 0.934044 lam= 0.070613 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 3 )= 3.4357 eV Re[Sigma]= 499.987799 meV Im[Sigma]= 1067.469111 meV Z= 1.165042 lam= -0.141662 E( 4 )= 3.4361 eV Re[Sigma]= 499.565265 meV Im[Sigma]= 1068.991771 meV Z= 1.166114 lam= -0.142451 E( 5 )= 6.1190 eV Re[Sigma]= 523.233413 meV Im[Sigma]= 194.009498 meV Z= 0.938950 lam= 0.065019 E( 6 )= 6.1191 eV Re[Sigma]= 523.864467 meV Im[Sigma]= 194.883797 meV Z= 0.938999 lam= 0.064963 E( 7 )= 6.6655 eV Re[Sigma]= 590.281846 meV Im[Sigma]= 303.907693 meV Z= 1.006259 lam= -0.006220 E( 8 )= 6.6659 eV Re[Sigma]= 590.469680 meV Im[Sigma]= 303.797283 meV Z= 1.006220 lam= -0.006182 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -0.0703 eV Re[Sigma]= -420.728442 meV Im[Sigma]= 1060.594757 meV Z= 1.253558 lam= -0.202271 E( 4 )= -0.0219 eV Re[Sigma]= -405.023116 meV Im[Sigma]= 1091.815297 meV Z= 1.267265 lam= -0.210899 E( 5 )= 3.8444 eV Re[Sigma]= 531.899488 meV Im[Sigma]= 1405.456346 meV Z= 1.400670 lam= -0.286056 E( 6 )= 3.8979 eV Re[Sigma]= 546.917297 meV Im[Sigma]= 1398.578107 meV Z= 1.417171 lam= -0.294369 E( 7 )= 5.5421 eV Re[Sigma]= 824.949711 meV Im[Sigma]= 778.469013 meV Z= 1.109654 lam= -0.098818 E( 8 )= 5.5437 eV Re[Sigma]= 826.461708 meV Im[Sigma]= 785.727318 meV Z= 1.112510 lam= -0.101132 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -964.488835 meV Im[Sigma]= 584.736129 meV Z= 0.982361 lam= 0.017955 E( 4 )= -4.6608 eV Re[Sigma]= -968.622856 meV Im[Sigma]= 603.633061 meV Z= 0.986191 lam= 0.014002 E( 5 )= 2.8055 eV Re[Sigma]= 437.125436 meV Im[Sigma]= 3102.094403 meV Z= -15.105853 lam= -1.066200 E( 6 )= 2.8232 eV Re[Sigma]= 464.746324 meV Im[Sigma]= 3121.250456 meV Z= -13.425443 lam= -1.074485 E( 7 )= 4.6193 eV Re[Sigma]= 884.005381 meV Im[Sigma]= 1130.381593 meV Z= 1.017114 lam= -0.016826 E( 8 )= 4.6233 eV Re[Sigma]= 890.186208 meV Im[Sigma]= 1124.178240 meV Z= 1.013089 lam= -0.012920 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -675.016475 meV Im[Sigma]= 1656.482318 meV Z= 2.187323 lam= -0.542820 E( 4 )= -3.2357 eV Re[Sigma]= -656.665483 meV Im[Sigma]= 1659.478291 meV Z= 2.115216 lam= -0.527235 E( 5 )= 2.4485 eV Re[Sigma]= -30.531451 meV Im[Sigma]= 2362.517825 meV Z= 1.980543 lam= -0.495088 E( 6 )= 2.4800 eV Re[Sigma]= -16.804161 meV Im[Sigma]= 2401.441782 meV Z= 2.166971 lam= -0.538526 E( 7 )= 5.4116 eV Re[Sigma]= 736.847102 meV Im[Sigma]= 665.288812 meV Z= 1.063020 lam= -0.059284 E( 8 )= 5.4146 eV Re[Sigma]= 736.536419 meV Im[Sigma]= 666.033359 meV Z= 1.063212 lam= -0.059454 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 3 )= 1.1979 eV Re[Sigma]= -18.876212 meV Im[Sigma]= 1053.544851 meV Z= 1.048179 lam= -0.045965 E( 4 )= 1.2961 eV Re[Sigma]= 1.409125 meV Im[Sigma]= 1039.916902 meV Z= 1.022767 lam= -0.022260 E( 5 )= 4.0594 eV Re[Sigma]= 655.505474 meV Im[Sigma]= 1891.775835 meV Z= 2.128141 lam= -0.530106 E( 6 )= 4.1711 eV Re[Sigma]= 738.435636 meV Im[Sigma]= 1858.603570 meV Z= 2.007665 lam= -0.501909 E( 7 )= 6.8270 eV Re[Sigma]= 508.606638 meV Im[Sigma]= 188.152915 meV Z= 0.975231 lam= 0.025398 E( 8 )= 6.8345 eV Re[Sigma]= 507.596329 meV Im[Sigma]= 181.792305 meV Z= 0.972738 lam= 0.028026 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 3 )= 3.4362 eV Re[Sigma]= 491.668928 meV Im[Sigma]= 1072.135184 meV Z= 1.168735 lam= -0.144374 E( 4 )= 3.4363 eV Re[Sigma]= 491.192008 meV Im[Sigma]= 1071.644721 meV Z= 1.168427 lam= -0.144149 E( 5 )= 6.1192 eV Re[Sigma]= 521.548041 meV Im[Sigma]= 196.919835 meV Z= 0.940012 lam= 0.063816 E( 6 )= 6.1192 eV Re[Sigma]= 521.255142 meV Im[Sigma]= 195.436152 meV Z= 0.939659 lam= 0.064216 E( 7 )= 6.6650 eV Re[Sigma]= 594.443041 meV Im[Sigma]= 304.945998 meV Z= 1.007827 lam= -0.007766 E( 8 )= 6.6652 eV Re[Sigma]= 594.932541 meV Im[Sigma]= 305.418024 meV Z= 1.007796 lam= -0.007735 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 3 )= 3.4117 eV Re[Sigma]= 392.339325 meV Im[Sigma]= 1152.671846 meV Z= 1.227649 lam= -0.185435 E( 4 )= 3.4118 eV Re[Sigma]= 392.231630 meV Im[Sigma]= 1151.593199 meV Z= 1.226771 lam= -0.184852 E( 5 )= 6.3639 eV Re[Sigma]= 563.644407 meV Im[Sigma]= 283.934518 meV Z= 0.969371 lam= 0.031596 E( 6 )= 6.3640 eV Re[Sigma]= 563.574721 meV Im[Sigma]= 283.756139 meV Z= 0.969345 lam= 0.031625 E( 7 )= 7.7486 eV Re[Sigma]= 435.182900 meV Im[Sigma]= 24.183367 meV Z= 0.933880 lam= 0.070802 E( 8 )= 7.7512 eV Re[Sigma]= 437.128563 meV Im[Sigma]= 23.682551 meV Z= 0.933411 lam= 0.071340 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 3 )= 1.1981 eV Re[Sigma]= -9.177747 meV Im[Sigma]= 1052.762830 meV Z= 1.045550 lam= -0.043566 E( 4 )= 1.2954 eV Re[Sigma]= 10.338093 meV Im[Sigma]= 1039.038611 meV Z= 1.020019 lam= -0.019626 E( 5 )= 4.0589 eV Re[Sigma]= 660.454910 meV Im[Sigma]= 1887.244961 meV Z= 2.137003 lam= -0.532055 E( 6 )= 4.1720 eV Re[Sigma]= 744.642005 meV Im[Sigma]= 1850.946697 meV Z= 2.006113 lam= -0.501524 E( 7 )= 6.8262 eV Re[Sigma]= 510.183365 meV Im[Sigma]= 185.074967 meV Z= 0.971720 lam= 0.029104 E( 8 )= 6.8356 eV Re[Sigma]= 509.105507 meV Im[Sigma]= 178.370300 meV Z= 0.969096 lam= 0.031889 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.2612 eV Re[Sigma]= -679.408402 meV Im[Sigma]= 1657.521618 meV Z= 2.175550 lam= -0.540346 E( 4 )= -3.2360 eV Re[Sigma]= -661.200149 meV Im[Sigma]= 1659.745071 meV Z= 2.103568 lam= -0.524617 E( 5 )= 2.4480 eV Re[Sigma]= -3.904957 meV Im[Sigma]= 2368.764257 meV Z= 1.991132 lam= -0.497773 E( 6 )= 2.4800 eV Re[Sigma]= 11.111241 meV Im[Sigma]= 2407.618982 meV Z= 2.185039 lam= -0.542342 E( 7 )= 5.4115 eV Re[Sigma]= 737.798486 meV Im[Sigma]= 655.595612 meV Z= 1.060955 lam= -0.057453 E( 8 )= 5.4152 eV Re[Sigma]= 736.649800 meV Im[Sigma]= 655.943143 meV Z= 1.061000 lam= -0.057493 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -4.6738 eV Re[Sigma]= -961.351955 meV Im[Sigma]= 583.054819 meV Z= 0.982603 lam= 0.017705 E( 4 )= -4.6609 eV Re[Sigma]= -964.913517 meV Im[Sigma]= 601.667512 meV Z= 0.986502 lam= 0.013682 E( 5 )= 2.8068 eV Re[Sigma]= 422.259350 meV Im[Sigma]= 3074.229048 meV Z= -17.579077 lam= -1.056886 E( 6 )= 2.8222 eV Re[Sigma]= 448.668563 meV Im[Sigma]= 3093.860017 meV Z= -15.254897 lam= -1.065553 E( 7 )= 4.6203 eV Re[Sigma]= 892.835997 meV Im[Sigma]= 1118.324461 meV Z= 1.015875 lam= -0.015627 E( 8 )= 4.6220 eV Re[Sigma]= 897.918603 meV Im[Sigma]= 1113.195730 meV Z= 1.012752 lam= -0.012592 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -0.0700 eV Re[Sigma]= -415.793242 meV Im[Sigma]= 1049.358936 meV Z= 1.256137 lam= -0.203909 E( 4 )= -0.0221 eV Re[Sigma]= -399.622833 meV Im[Sigma]= 1079.500197 meV Z= 1.269243 lam= -0.212129 E( 5 )= 3.8449 eV Re[Sigma]= 519.369908 meV Im[Sigma]= 1437.533064 meV Z= 1.419060 lam= -0.295308 E( 6 )= 3.8984 eV Re[Sigma]= 535.427709 meV Im[Sigma]= 1430.975632 meV Z= 1.436133 lam= -0.303686 E( 7 )= 5.5414 eV Re[Sigma]= 837.699197 meV Im[Sigma]= 768.730288 meV Z= 1.103591 lam= -0.093867 E( 8 )= 5.5432 eV Re[Sigma]= 839.120111 meV Im[Sigma]= 775.881913 meV Z= 1.106594 lam= -0.096326 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -0.0700 eV Re[Sigma]= -411.532870 meV Im[Sigma]= 1039.118408 meV Z= 1.248182 lam= -0.198835 E( 4 )= -0.0221 eV Re[Sigma]= -395.796564 meV Im[Sigma]= 1069.364708 meV Z= 1.261543 lam= -0.207320 E( 5 )= 3.8449 eV Re[Sigma]= 528.538129 meV Im[Sigma]= 1452.010039 meV Z= 1.425558 lam= -0.298520 E( 6 )= 3.8983 eV Re[Sigma]= 544.065606 meV Im[Sigma]= 1444.646154 meV Z= 1.443110 lam= -0.307052 E( 7 )= 5.5415 eV Re[Sigma]= 829.323478 meV Im[Sigma]= 759.609744 meV Z= 1.098169 lam= -0.089394 E( 8 )= 5.5432 eV Re[Sigma]= 830.573717 meV Im[Sigma]= 767.205560 meV Z= 1.101447 lam= -0.092103 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 3 )= 1.1982 eV Re[Sigma]= -15.127330 meV Im[Sigma]= 1056.638053 meV Z= 1.048876 lam= -0.046598 E( 4 )= 1.2960 eV Re[Sigma]= 4.848030 meV Im[Sigma]= 1043.107010 meV Z= 1.023050 lam= -0.022530 E( 5 )= 4.0594 eV Re[Sigma]= 650.673075 meV Im[Sigma]= 1885.720781 meV Z= 2.112923 lam= -0.526722 E( 6 )= 4.1710 eV Re[Sigma]= 733.313394 meV Im[Sigma]= 1853.314580 meV Z= 1.997860 lam= -0.499464 E( 7 )= 6.8269 eV Re[Sigma]= 508.385786 meV Im[Sigma]= 189.330332 meV Z= 0.975629 lam= 0.024980 E( 8 )= 6.8348 eV Re[Sigma]= 507.223476 meV Im[Sigma]= 182.515320 meV Z= 0.972962 lam= 0.027790 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -0.0702 eV Re[Sigma]= -411.488841 meV Im[Sigma]= 1051.165633 meV Z= 1.258336 lam= -0.205299 E( 4 )= -0.0219 eV Re[Sigma]= -395.075057 meV Im[Sigma]= 1081.320978 meV Z= 1.271513 lam= -0.213536 E( 5 )= 3.8443 eV Re[Sigma]= 534.950951 meV Im[Sigma]= 1410.095946 meV Z= 1.392100 lam= -0.281661 E( 6 )= 3.8979 eV Re[Sigma]= 549.945794 meV Im[Sigma]= 1401.626230 meV Z= 1.406759 lam= -0.289146 E( 7 )= 5.5421 eV Re[Sigma]= 839.612101 meV Im[Sigma]= 768.198592 meV Z= 1.100095 lam= -0.090988 E( 8 )= 5.5438 eV Re[Sigma]= 840.475090 meV Im[Sigma]= 775.502815 meV Z= 1.103117 lam= -0.093478 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -1.9715 eV Re[Sigma]= -468.016769 meV Im[Sigma]= 653.932704 meV Z= 0.959873 lam= 0.041804 E( 4 )= -1.9162 eV Re[Sigma]= -462.788272 meV Im[Sigma]= 646.671877 meV Z= 0.963380 lam= 0.038012 E( 5 )= 1.0009 eV Re[Sigma]= -223.351487 meV Im[Sigma]= 1528.096497 meV Z= 1.123084 lam= -0.109595 E( 6 )= 1.0774 eV Re[Sigma]= -217.319122 meV Im[Sigma]= 1500.457104 meV Z= 1.108310 lam= -0.097726 E( 7 )= 3.9743 eV Re[Sigma]= 791.481801 meV Im[Sigma]= 1662.176100 meV Z= 1.461337 lam= -0.315695 E( 8 )= 4.0152 eV Re[Sigma]= 813.131774 meV Im[Sigma]= 1645.896644 meV Z= 1.478012 lam= -0.323416 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -970.565559 meV Im[Sigma]= 1454.685532 meV Z= 1.368719 lam= -0.269390 E( 4 )= -3.6551 eV Re[Sigma]= -970.419772 meV Im[Sigma]= 1467.799886 meV Z= 1.382342 lam= -0.276590 E( 5 )= -0.0883 eV Re[Sigma]= -258.229097 meV Im[Sigma]= 1534.477555 meV Z= 1.171000 lam= -0.146029 E( 6 )= -0.0672 eV Re[Sigma]= -252.178856 meV Im[Sigma]= 1566.836083 meV Z= 1.187713 lam= -0.158046 E( 7 )= 2.9120 eV Re[Sigma]= 18.824446 meV Im[Sigma]= 2891.138668 meV Z= 6.233771 lam= -0.839583 E( 8 )= 2.9440 eV Re[Sigma]= 53.103690 meV Im[Sigma]= 2918.021779 meV Z= 5.936083 lam= -0.831539 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -1.9720 eV Re[Sigma]= -471.247634 meV Im[Sigma]= 651.416075 meV Z= 0.957998 lam= 0.043843 E( 4 )= -1.9161 eV Re[Sigma]= -466.769593 meV Im[Sigma]= 644.129745 meV Z= 0.961416 lam= 0.040132 E( 5 )= 1.0020 eV Re[Sigma]= -200.027608 meV Im[Sigma]= 1528.824054 meV Z= 1.133639 lam= -0.117885 E( 6 )= 1.0773 eV Re[Sigma]= -194.669627 meV Im[Sigma]= 1499.868406 meV Z= 1.118519 lam= -0.105960 E( 7 )= 3.9749 eV Re[Sigma]= 775.170637 meV Im[Sigma]= 1680.971421 meV Z= 1.484455 lam= -0.326352 E( 8 )= 4.0140 eV Re[Sigma]= 797.261807 meV Im[Sigma]= 1665.977244 meV Z= 1.501925 lam= -0.334188 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -4.6737 eV Re[Sigma]= -960.862797 meV Im[Sigma]= 583.215847 meV Z= 0.982620 lam= 0.017688 E( 4 )= -4.6609 eV Re[Sigma]= -964.501500 meV Im[Sigma]= 601.814122 meV Z= 0.986487 lam= 0.013698 E( 5 )= 2.8066 eV Re[Sigma]= 429.228247 meV Im[Sigma]= 3084.978890 meV Z= -16.477422 lam= -1.060689 E( 6 )= 2.8221 eV Re[Sigma]= 455.619872 meV Im[Sigma]= 3104.349055 meV Z= -14.384913 lam= -1.069517 E( 7 )= 4.6205 eV Re[Sigma]= 878.640608 meV Im[Sigma]= 1104.007977 meV Z= 1.011277 lam= -0.011151 E( 8 )= 4.6221 eV Re[Sigma]= 883.452119 meV Im[Sigma]= 1098.829776 meV Z= 1.008212 lam= -0.008145 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -672.323872 meV Im[Sigma]= 1662.674790 meV Z= 2.201066 lam= -0.545675 E( 4 )= -3.2357 eV Re[Sigma]= -653.881834 meV Im[Sigma]= 1666.416063 meV Z= 2.130578 lam= -0.530644 E( 5 )= 2.4485 eV Re[Sigma]= -30.058108 meV Im[Sigma]= 2369.368058 meV Z= 1.998568 lam= -0.499642 E( 6 )= 2.4799 eV Re[Sigma]= -16.267788 meV Im[Sigma]= 2407.652744 meV Z= 2.187280 lam= -0.542811 E( 7 )= 5.4115 eV Re[Sigma]= 738.611562 meV Im[Sigma]= 656.818516 meV Z= 1.058291 lam= -0.055080 E( 8 )= 5.4149 eV Re[Sigma]= 738.435235 meV Im[Sigma]= 656.398773 meV Z= 1.057817 lam= -0.054657 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -1.9725 eV Re[Sigma]= -463.023146 meV Im[Sigma]= 653.576368 meV Z= 0.959946 lam= 0.041725 E( 4 )= -1.9151 eV Re[Sigma]= -457.667525 meV Im[Sigma]= 646.886794 meV Z= 0.963730 lam= 0.037635 E( 5 )= 1.0008 eV Re[Sigma]= -208.357815 meV Im[Sigma]= 1539.471848 meV Z= 1.129744 lam= -0.114843 E( 6 )= 1.0774 eV Re[Sigma]= -201.970637 meV Im[Sigma]= 1510.581742 meV Z= 1.114763 lam= -0.102948 E( 7 )= 3.9744 eV Re[Sigma]= 787.330595 meV Im[Sigma]= 1689.979223 meV Z= 1.488568 lam= -0.328213 E( 8 )= 4.0152 eV Re[Sigma]= 809.439035 meV Im[Sigma]= 1674.665111 meV Z= 1.505509 lam= -0.335773 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3430 eV Re[Sigma]= -739.060115 meV Im[Sigma]= 1047.858436 meV Z= 1.385585 lam= -0.278283 E( 4 )= -3.3236 eV Re[Sigma]= -731.148180 meV Im[Sigma]= 1053.203875 meV Z= 1.385291 lam= -0.278130 E( 5 )= 0.4953 eV Re[Sigma]= -228.221527 meV Im[Sigma]= 1328.904454 meV Z= 1.120636 lam= -0.107650 E( 6 )= 0.5172 eV Re[Sigma]= -220.888354 meV Im[Sigma]= 1341.248003 meV Z= 1.132268 lam= -0.116817 E( 7 )= 2.3312 eV Re[Sigma]= -223.757599 meV Im[Sigma]= 1436.142114 meV Z= 1.278242 lam= -0.217675 E( 8 )= 2.3333 eV Re[Sigma]= -220.386040 meV Im[Sigma]= 1440.512772 meV Z= 1.282365 lam= -0.220191 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.5848 eV Re[Sigma]= -1008.299818 meV Im[Sigma]= 1812.167429 meV Z= 2.607856 lam= -0.616543 E( 4 )= -3.5734 eV Re[Sigma]= -991.904370 meV Im[Sigma]= 1837.429793 meV Z= 2.819010 lam= -0.645265 E( 5 )= -0.5099 eV Re[Sigma]= -453.655200 meV Im[Sigma]= 1112.281928 meV Z= 1.070552 lam= -0.065903 E( 6 )= -0.5019 eV Re[Sigma]= -455.257182 meV Im[Sigma]= 1115.754507 meV Z= 1.082669 lam= -0.076356 E( 7 )= 1.3649 eV Re[Sigma]= -62.232273 meV Im[Sigma]= 1699.340201 meV Z= 1.079987 lam= -0.074063 E( 8 )= 1.3925 eV Re[Sigma]= -59.497588 meV Im[Sigma]= 1693.236042 meV Z= 1.049045 lam= -0.046752 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -968.253765 meV Im[Sigma]= 1455.114885 meV Z= 1.369746 lam= -0.269938 E( 4 )= -3.6551 eV Re[Sigma]= -967.918944 meV Im[Sigma]= 1467.717761 meV Z= 1.383094 lam= -0.276983 E( 5 )= -0.0885 eV Re[Sigma]= -250.321538 meV Im[Sigma]= 1541.366004 meV Z= 1.174240 lam= -0.148385 E( 6 )= -0.0672 eV Re[Sigma]= -243.968826 meV Im[Sigma]= 1573.694632 meV Z= 1.191209 lam= -0.160516 E( 7 )= 2.9120 eV Re[Sigma]= 15.468864 meV Im[Sigma]= 2875.852440 meV Z= 5.863832 lam= -0.829463 E( 8 )= 2.9442 eV Re[Sigma]= 49.936353 meV Im[Sigma]= 2903.870995 meV Z= 5.626495 lam= -0.822269 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.2612 eV Re[Sigma]= -677.029097 meV Im[Sigma]= 1664.575881 meV Z= 2.192402 lam= -0.543879 E( 4 )= -3.2360 eV Re[Sigma]= -658.702672 meV Im[Sigma]= 1667.163577 meV Z= 2.119479 lam= -0.528186 E( 5 )= 2.4480 eV Re[Sigma]= -4.933638 meV Im[Sigma]= 2378.113009 meV Z= 2.008196 lam= -0.502041 E( 6 )= 2.4799 eV Re[Sigma]= 10.058154 meV Im[Sigma]= 2416.919112 meV Z= 2.206079 lam= -0.546707 E( 7 )= 5.4115 eV Re[Sigma]= 736.172802 meV Im[Sigma]= 664.239696 meV Z= 1.064909 lam= -0.060953 E( 8 )= 5.4152 eV Re[Sigma]= 734.892648 meV Im[Sigma]= 665.270934 meV Z= 1.065344 lam= -0.061336 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -963.390751 meV Im[Sigma]= 584.324423 meV Z= 0.982293 lam= 0.018026 E( 4 )= -4.6608 eV Re[Sigma]= -967.559889 meV Im[Sigma]= 603.157256 meV Z= 0.986048 lam= 0.014149 E( 5 )= 2.8056 eV Re[Sigma]= 438.053415 meV Im[Sigma]= 3103.446583 meV Z= -14.286688 lam= -1.069995 E( 6 )= 2.8229 eV Re[Sigma]= 465.280600 meV Im[Sigma]= 3122.191210 meV Z= -12.759991 lam= -1.078370 E( 7 )= 4.6195 eV Re[Sigma]= 881.351223 meV Im[Sigma]= 1123.827548 meV Z= 1.014514 lam= -0.014307 E( 8 )= 4.6234 eV Re[Sigma]= 887.883391 meV Im[Sigma]= 1118.116083 meV Z= 1.010570 lam= -0.010459 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.6634 eV Re[Sigma]= -963.574916 meV Im[Sigma]= 1443.433456 meV Z= 1.365634 lam= -0.267739 E( 4 )= -3.6557 eV Re[Sigma]= -963.706175 meV Im[Sigma]= 1456.320857 meV Z= 1.378840 lam= -0.274752 E( 5 )= -0.0886 eV Re[Sigma]= -258.350126 meV Im[Sigma]= 1541.446220 meV Z= 1.173154 lam= -0.147597 E( 6 )= -0.0673 eV Re[Sigma]= -252.748420 meV Im[Sigma]= 1575.912741 meV Z= 1.191266 lam= -0.160557 E( 7 )= 2.9126 eV Re[Sigma]= 17.362430 meV Im[Sigma]= 2874.653390 meV Z= 5.675201 lam= -0.823795 E( 8 )= 2.9437 eV Re[Sigma]= 52.775073 meV Im[Sigma]= 2902.630981 meV Z= 5.484182 lam= -0.817657 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.5835 eV Re[Sigma]= -1005.531661 meV Im[Sigma]= 1796.795470 meV Z= 2.564887 lam= -0.610119 E( 4 )= -3.5743 eV Re[Sigma]= -990.768214 meV Im[Sigma]= 1821.633225 meV Z= 2.759284 lam= -0.637587 E( 5 )= -0.5077 eV Re[Sigma]= -461.412293 meV Im[Sigma]= 1110.367873 meV Z= 1.068419 lam= -0.064037 E( 6 )= -0.5049 eV Re[Sigma]= -463.696340 meV Im[Sigma]= 1111.178373 meV Z= 1.076834 lam= -0.071352 E( 7 )= 1.3679 eV Re[Sigma]= -61.032660 meV Im[Sigma]= 1691.463718 meV Z= 1.075529 lam= -0.070225 E( 8 )= 1.3899 eV Re[Sigma]= -60.411702 meV Im[Sigma]= 1685.460173 meV Z= 1.047002 lam= -0.044892 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.3430 eV Re[Sigma]= -739.426927 meV Im[Sigma]= 1051.517489 meV Z= 1.388460 lam= -0.279777 E( 4 )= -3.3236 eV Re[Sigma]= -731.568436 meV Im[Sigma]= 1056.761376 meV Z= 1.388065 lam= -0.279573 E( 5 )= 0.4953 eV Re[Sigma]= -227.858122 meV Im[Sigma]= 1325.311694 meV Z= 1.117963 lam= -0.105516 E( 6 )= 0.5172 eV Re[Sigma]= -220.281907 meV Im[Sigma]= 1338.337206 meV Z= 1.130086 lam= -0.115111 E( 7 )= 2.3311 eV Re[Sigma]= -222.399649 meV Im[Sigma]= 1432.360591 meV Z= 1.273476 lam= -0.214748 E( 8 )= 2.3332 eV Re[Sigma]= -219.071965 meV Im[Sigma]= 1437.122344 meV Z= 1.278020 lam= -0.217540 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -1.9714 eV Re[Sigma]= -471.496552 meV Im[Sigma]= 651.011931 meV Z= 0.958165 lam= 0.043662 E( 4 )= -1.9162 eV Re[Sigma]= -466.485584 meV Im[Sigma]= 644.442302 meV Z= 0.961825 lam= 0.039690 E( 5 )= 1.0009 eV Re[Sigma]= -221.105163 meV Im[Sigma]= 1528.354079 meV Z= 1.121908 lam= -0.108661 E( 6 )= 1.0773 eV Re[Sigma]= -214.788672 meV Im[Sigma]= 1500.272990 meV Z= 1.107252 lam= -0.096863 E( 7 )= 3.9743 eV Re[Sigma]= 794.397820 meV Im[Sigma]= 1664.160390 meV Z= 1.455944 lam= -0.313160 E( 8 )= 4.0152 eV Re[Sigma]= 816.010931 meV Im[Sigma]= 1648.060378 meV Z= 1.472415 lam= -0.320844 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 3 )= 1.1981 eV Re[Sigma]= -5.154587 meV Im[Sigma]= 1059.316702 meV Z= 1.049662 lam= -0.047312 E( 4 )= 1.2954 eV Re[Sigma]= 15.177947 meV Im[Sigma]= 1044.778497 meV Z= 1.023491 lam= -0.022952 E( 5 )= 4.0589 eV Re[Sigma]= 658.127773 meV Im[Sigma]= 1911.687186 meV Z= 2.193059 lam= -0.544016 E( 6 )= 4.1720 eV Re[Sigma]= 743.749033 meV Im[Sigma]= 1876.348578 meV Z= 2.059308 lam= -0.514400 E( 7 )= 6.8263 eV Re[Sigma]= 514.098966 meV Im[Sigma]= 194.142439 meV Z= 0.975266 lam= 0.025361 E( 8 )= 6.8356 eV Re[Sigma]= 512.633626 meV Im[Sigma]= 187.667525 meV Z= 0.972814 lam= 0.027946 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -0.0703 eV Re[Sigma]= -416.330744 meV Im[Sigma]= 1059.214147 meV Z= 1.254835 lam= -0.203083 E( 4 )= -0.0218 eV Re[Sigma]= -400.347043 meV Im[Sigma]= 1089.680211 meV Z= 1.268225 lam= -0.211496 E( 5 )= 3.8444 eV Re[Sigma]= 536.282667 meV Im[Sigma]= 1413.976472 meV Z= 1.408901 lam= -0.290227 E( 6 )= 3.8980 eV Re[Sigma]= 551.733062 meV Im[Sigma]= 1406.874191 meV Z= 1.425801 lam= -0.298640 E( 7 )= 5.5421 eV Re[Sigma]= 825.226873 meV Im[Sigma]= 779.190725 meV Z= 1.108906 lam= -0.098210 E( 8 )= 5.5437 eV Re[Sigma]= 827.224820 meV Im[Sigma]= 786.210962 meV Z= 1.111459 lam= -0.100282 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -1.9725 eV Re[Sigma]= -464.767551 meV Im[Sigma]= 653.189294 meV Z= 0.960333 lam= 0.041306 E( 4 )= -1.9152 eV Re[Sigma]= -459.766569 meV Im[Sigma]= 646.420735 meV Z= 0.964089 lam= 0.037248 E( 5 )= 1.0008 eV Re[Sigma]= -209.864033 meV Im[Sigma]= 1536.474215 meV Z= 1.131721 lam= -0.116390 E( 6 )= 1.0775 eV Re[Sigma]= -201.291770 meV Im[Sigma]= 1504.727942 meV Z= 1.115207 lam= -0.103306 E( 7 )= 3.9744 eV Re[Sigma]= 796.194073 meV Im[Sigma]= 1639.178810 meV Z= 1.448958 lam= -0.309849 E( 8 )= 4.0153 eV Re[Sigma]= 818.151781 meV Im[Sigma]= 1623.572506 meV Z= 1.463825 lam= -0.316858 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.6634 eV Re[Sigma]= -966.684158 meV Im[Sigma]= 1441.096459 meV Z= 1.362210 lam= -0.265899 E( 4 )= -3.6557 eV Re[Sigma]= -966.917592 meV Im[Sigma]= 1454.833890 meV Z= 1.376025 lam= -0.273269 E( 5 )= -0.0884 eV Re[Sigma]= -261.539019 meV Im[Sigma]= 1539.655930 meV Z= 1.171519 lam= -0.146407 E( 6 )= -0.0674 eV Re[Sigma]= -256.111026 meV Im[Sigma]= 1574.433270 meV Z= 1.189824 lam= -0.159539 E( 7 )= 2.9128 eV Re[Sigma]= 14.815150 meV Im[Sigma]= 2870.771142 meV Z= 5.563276 lam= -0.820250 E( 8 )= 2.9434 eV Re[Sigma]= 49.665935 meV Im[Sigma]= 2898.258418 meV Z= 5.387611 lam= -0.814389 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -1.9724 eV Re[Sigma]= -462.024312 meV Im[Sigma]= 648.746389 meV Z= 0.958390 lam= 0.043417 E( 4 )= -1.9151 eV Re[Sigma]= -456.422074 meV Im[Sigma]= 641.738465 meV Z= 0.961936 lam= 0.039570 E( 5 )= 1.0009 eV Re[Sigma]= -209.302326 meV Im[Sigma]= 1539.323160 meV Z= 1.128496 lam= -0.113865 E( 6 )= 1.0772 eV Re[Sigma]= -203.058591 meV Im[Sigma]= 1510.114257 meV Z= 1.113691 lam= -0.102085 E( 7 )= 3.9745 eV Re[Sigma]= 786.713428 meV Im[Sigma]= 1699.836378 meV Z= 1.499835 lam= -0.333260 E( 8 )= 4.0150 eV Re[Sigma]= 809.161817 meV Im[Sigma]= 1685.160846 meV Z= 1.517667 lam= -0.341094 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -0.0703 eV Re[Sigma]= -414.161339 meV Im[Sigma]= 1048.383277 meV Z= 1.252855 lam= -0.201823 E( 4 )= -0.0219 eV Re[Sigma]= -398.057266 meV Im[Sigma]= 1079.023599 meV Z= 1.266304 lam= -0.210300 E( 5 )= 3.8443 eV Re[Sigma]= 529.208571 meV Im[Sigma]= 1422.832104 meV Z= 1.405991 lam= -0.288758 E( 6 )= 3.8980 eV Re[Sigma]= 544.556007 meV Im[Sigma]= 1414.683488 meV Z= 1.420259 lam= -0.295903 E( 7 )= 5.5420 eV Re[Sigma]= 845.457321 meV Im[Sigma]= 767.670335 meV Z= 1.099365 lam= -0.090384 E( 8 )= 5.5438 eV Re[Sigma]= 846.313443 meV Im[Sigma]= 775.037210 meV Z= 1.102302 lam= -0.092808 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -576.920179 meV Im[Sigma]= 534.300885 meV Z= 0.930053 lam= 0.075208 E( 4 )= -1.9925 eV Re[Sigma]= -576.751811 meV Im[Sigma]= 534.122605 meV Z= 0.930020 lam= 0.075246 E( 5 )= 4.6996 eV Re[Sigma]= 794.890668 meV Im[Sigma]= 898.310262 meV Z= 1.058907 lam= -0.055630 E( 6 )= 4.6996 eV Re[Sigma]= 794.821053 meV Im[Sigma]= 898.180181 meV Z= 1.058816 lam= -0.055549 E( 7 )= 6.6655 eV Re[Sigma]= 742.611785 meV Im[Sigma]= 249.822189 meV Z= 0.936085 lam= 0.068279 E( 8 )= 6.6655 eV Re[Sigma]= 740.980127 meV Im[Sigma]= 247.961971 meV Z= 0.936276 lam= 0.068062 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -0.0703 eV Re[Sigma]= -417.425346 meV Im[Sigma]= 1053.058496 meV Z= 1.254694 lam= -0.202993 E( 4 )= -0.0219 eV Re[Sigma]= -401.189839 meV Im[Sigma]= 1084.952087 meV Z= 1.268578 lam= -0.211716 E( 5 )= 3.8443 eV Re[Sigma]= 526.677545 meV Im[Sigma]= 1398.428778 meV Z= 1.384466 lam= -0.277700 E( 6 )= 3.8981 eV Re[Sigma]= 542.075318 meV Im[Sigma]= 1391.699499 meV Z= 1.401385 lam= -0.286420 E( 7 )= 5.5419 eV Re[Sigma]= 831.390696 meV Im[Sigma]= 784.610894 meV Z= 1.110511 lam= -0.099514 E( 8 )= 5.5438 eV Re[Sigma]= 833.032063 meV Im[Sigma]= 790.650399 meV Z= 1.113284 lam= -0.101756 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -0.6549 eV Re[Sigma]= -408.465008 meV Im[Sigma]= 506.256096 meV Z= 0.928630 lam= 0.076855 E( 4 )= -0.6549 eV Re[Sigma]= -408.145964 meV Im[Sigma]= 506.211991 meV Z= 0.928643 lam= 0.076840 E( 5 )= 2.1592 eV Re[Sigma]= 85.225746 meV Im[Sigma]= 856.155085 meV Z= 1.080890 lam= -0.074837 E( 6 )= 2.1592 eV Re[Sigma]= 85.413380 meV Im[Sigma]= 856.431460 meV Z= 1.080900 lam= -0.074845 E( 7 )= 3.3797 eV Re[Sigma]= 291.913053 meV Im[Sigma]= 1122.708318 meV Z= 1.233330 lam= -0.189187 E( 8 )= 3.3797 eV Re[Sigma]= 291.572785 meV Im[Sigma]= 1122.729864 meV Z= 1.233721 lam= -0.189444 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3431 eV Re[Sigma]= -737.669770 meV Im[Sigma]= 1054.448208 meV Z= 1.390696 lam= -0.280936 E( 4 )= -3.3236 eV Re[Sigma]= -730.105185 meV Im[Sigma]= 1061.261361 meV Z= 1.391554 lam= -0.281379 E( 5 )= 0.4953 eV Re[Sigma]= -229.125936 meV Im[Sigma]= 1328.116109 meV Z= 1.118871 lam= -0.106242 E( 6 )= 0.5172 eV Re[Sigma]= -221.093261 meV Im[Sigma]= 1341.480858 meV Z= 1.131766 lam= -0.116425 E( 7 )= 2.3313 eV Re[Sigma]= -208.385078 meV Im[Sigma]= 1416.724963 meV Z= 1.273611 lam= -0.214831 E( 8 )= 2.3332 eV Re[Sigma]= -204.222402 meV Im[Sigma]= 1420.806184 meV Z= 1.277092 lam= -0.216971 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -423.062210 meV Im[Sigma]= 1369.921956 meV Z= 0.985463 lam= 0.014751 E( 4 )= -2.6397 eV Re[Sigma]= -415.620963 meV Im[Sigma]= 1391.205759 meV Z= 0.991433 lam= 0.008641 E( 5 )= -1.5697 eV Re[Sigma]= -261.803926 meV Im[Sigma]= 1000.831605 meV Z= 0.770515 lam= 0.297833 E( 6 )= -1.5697 eV Re[Sigma]= -258.897582 meV Im[Sigma]= 999.412022 meV Z= 0.770089 lam= 0.298551 E( 7 )= 3.4484 eV Re[Sigma]= 778.791033 meV Im[Sigma]= 2053.702096 meV Z= 1.790909 lam= -0.441624 E( 8 )= 3.4484 eV Re[Sigma]= 776.241382 meV Im[Sigma]= 2047.057324 meV Z= 1.778131 lam= -0.437612 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -679.514131 meV Im[Sigma]= 1656.922692 meV Z= 2.182019 lam= -0.541709 E( 4 )= -3.2356 eV Re[Sigma]= -660.891033 meV Im[Sigma]= 1659.180132 meV Z= 2.107680 lam= -0.525545 E( 5 )= 2.4485 eV Re[Sigma]= -12.885610 meV Im[Sigma]= 2388.058255 meV Z= 2.043626 lam= -0.510674 E( 6 )= 2.4801 eV Re[Sigma]= 1.389677 meV Im[Sigma]= 2426.588656 meV Z= 2.241849 lam= -0.553940 E( 7 )= 5.4114 eV Re[Sigma]= 729.989459 meV Im[Sigma]= 655.900495 meV Z= 1.061431 lam= -0.057875 E( 8 )= 5.4146 eV Re[Sigma]= 729.838813 meV Im[Sigma]= 656.899413 meV Z= 1.061594 lam= -0.058020 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -0.0700 eV Re[Sigma]= -410.351291 meV Im[Sigma]= 1045.747115 meV Z= 1.253682 lam= -0.202349 E( 4 )= -0.0220 eV Re[Sigma]= -395.475788 meV Im[Sigma]= 1074.757662 meV Z= 1.266168 lam= -0.210215 E( 5 )= 3.8448 eV Re[Sigma]= 537.055169 meV Im[Sigma]= 1441.872371 meV Z= 1.420425 lam= -0.295985 E( 6 )= 3.8986 eV Re[Sigma]= 552.881093 meV Im[Sigma]= 1437.193293 meV Z= 1.441673 lam= -0.306361 E( 7 )= 5.5412 eV Re[Sigma]= 815.720554 meV Im[Sigma]= 760.712993 meV Z= 1.104497 lam= -0.094610 E( 8 )= 5.5432 eV Re[Sigma]= 816.859556 meV Im[Sigma]= 768.860309 meV Z= 1.107956 lam= -0.097437 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 3 )= 1.1978 eV Re[Sigma]= -15.073194 meV Im[Sigma]= 1052.025969 meV Z= 1.045135 lam= -0.043186 E( 4 )= 1.2962 eV Re[Sigma]= 5.646191 meV Im[Sigma]= 1038.575163 meV Z= 1.018984 lam= -0.018630 E( 5 )= 4.0594 eV Re[Sigma]= 648.382739 meV Im[Sigma]= 1887.442273 meV Z= 2.150743 lam= -0.535044 E( 6 )= 4.1712 eV Re[Sigma]= 731.815165 meV Im[Sigma]= 1852.180369 meV Z= 2.020091 lam= -0.504973 E( 7 )= 6.8271 eV Re[Sigma]= 507.651542 meV Im[Sigma]= 190.951206 meV Z= 0.975973 lam= 0.024618 E( 8 )= 6.8344 eV Re[Sigma]= 506.591166 meV Im[Sigma]= 183.978803 meV Z= 0.973076 lam= 0.027669 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -0.0704 eV Re[Sigma]= -418.634469 meV Im[Sigma]= 1049.390883 meV Z= 1.251287 lam= -0.200823 E( 4 )= -0.0218 eV Re[Sigma]= -402.667332 meV Im[Sigma]= 1082.034572 meV Z= 1.265552 lam= -0.209831 E( 5 )= 3.8443 eV Re[Sigma]= 528.082308 meV Im[Sigma]= 1402.905472 meV Z= 1.387499 lam= -0.279279 E( 6 )= 3.8981 eV Re[Sigma]= 542.896434 meV Im[Sigma]= 1395.734343 meV Z= 1.403516 lam= -0.287504 E( 7 )= 5.5419 eV Re[Sigma]= 832.599718 meV Im[Sigma]= 786.915759 meV Z= 1.112815 lam= -0.101378 E( 8 )= 5.5438 eV Re[Sigma]= 833.901535 meV Im[Sigma]= 793.180206 meV Z= 1.115651 lam= -0.103662 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -1.9714 eV Re[Sigma]= -465.900895 meV Im[Sigma]= 653.190770 meV Z= 0.957890 lam= 0.043962 E( 4 )= -1.9162 eV Re[Sigma]= -461.094172 meV Im[Sigma]= 646.363773 meV Z= 0.961731 lam= 0.039792 E( 5 )= 1.0009 eV Re[Sigma]= -219.109278 meV Im[Sigma]= 1545.646678 meV Z= 1.130479 lam= -0.115419 E( 6 )= 1.0773 eV Re[Sigma]= -211.710410 meV Im[Sigma]= 1516.513869 meV Z= 1.113955 lam= -0.102298 E( 7 )= 3.9743 eV Re[Sigma]= 795.500133 meV Im[Sigma]= 1653.356682 meV Z= 1.459050 lam= -0.314623 E( 8 )= 4.0152 eV Re[Sigma]= 817.445203 meV Im[Sigma]= 1636.278033 meV Z= 1.475275 lam= -0.322160 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -967.929452 meV Im[Sigma]= 1457.961439 meV Z= 1.370486 lam= -0.270332 E( 4 )= -3.6551 eV Re[Sigma]= -968.136015 meV Im[Sigma]= 1470.951025 meV Z= 1.384435 lam= -0.277684 E( 5 )= -0.0883 eV Re[Sigma]= -262.275706 meV Im[Sigma]= 1536.407236 meV Z= 1.168428 lam= -0.144149 E( 6 )= -0.0673 eV Re[Sigma]= -255.291222 meV Im[Sigma]= 1568.648836 meV Z= 1.185621 lam= -0.156560 E( 7 )= 2.9122 eV Re[Sigma]= 9.952857 meV Im[Sigma]= 2858.594014 meV Z= 5.441270 lam= -0.816219 E( 8 )= 2.9439 eV Re[Sigma]= 44.351331 meV Im[Sigma]= 2888.814916 meV Z= 5.289665 lam= -0.810952 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -1.9718 eV Re[Sigma]= -469.220285 meV Im[Sigma]= 650.013258 meV Z= 0.958296 lam= 0.043519 E( 4 )= -1.9161 eV Re[Sigma]= -464.337073 meV Im[Sigma]= 642.592461 meV Z= 0.962055 lam= 0.039441 E( 5 )= 1.0022 eV Re[Sigma]= -230.911021 meV Im[Sigma]= 1535.127708 meV Z= 1.129482 lam= -0.114638 E( 6 )= 1.0771 eV Re[Sigma]= -223.821731 meV Im[Sigma]= 1508.819948 meV Z= 1.114952 lam= -0.103100 E( 7 )= 3.9751 eV Re[Sigma]= 779.820597 meV Im[Sigma]= 1668.376435 meV Z= 1.472890 lam= -0.321063 E( 8 )= 4.0137 eV Re[Sigma]= 800.922700 meV Im[Sigma]= 1654.092097 meV Z= 1.491977 lam= -0.329748 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -0.6549 eV Re[Sigma]= -411.458291 meV Im[Sigma]= 498.880236 meV Z= 0.922855 lam= 0.083594 E( 4 )= -0.6549 eV Re[Sigma]= -412.018059 meV Im[Sigma]= 499.085784 meV Z= 0.922887 lam= 0.083556 E( 5 )= 2.1592 eV Re[Sigma]= 93.382825 meV Im[Sigma]= 896.635513 meV Z= 1.097005 lam= -0.088427 E( 6 )= 2.1592 eV Re[Sigma]= 93.542350 meV Im[Sigma]= 897.069617 meV Z= 1.097259 lam= -0.088638 E( 7 )= 3.3797 eV Re[Sigma]= 268.673683 meV Im[Sigma]= 1134.760096 meV Z= 1.245476 lam= -0.197094 E( 8 )= 3.3797 eV Re[Sigma]= 268.541529 meV Im[Sigma]= 1134.679263 meV Z= 1.245372 lam= -0.197027 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -0.0700 eV Re[Sigma]= -414.329840 meV Im[Sigma]= 1047.687854 meV Z= 1.252404 lam= -0.201535 E( 4 )= -0.0220 eV Re[Sigma]= -398.845779 meV Im[Sigma]= 1076.678076 meV Z= 1.264947 lam= -0.209453 E( 5 )= 3.8449 eV Re[Sigma]= 539.962649 meV Im[Sigma]= 1437.850518 meV Z= 1.414300 lam= -0.292936 E( 6 )= 3.8985 eV Re[Sigma]= 555.438584 meV Im[Sigma]= 1433.116599 meV Z= 1.436252 lam= -0.303743 E( 7 )= 5.5413 eV Re[Sigma]= 817.183516 meV Im[Sigma]= 758.270627 meV Z= 1.101474 lam= -0.092126 E( 8 )= 5.5432 eV Re[Sigma]= 818.032181 meV Im[Sigma]= 766.553271 meV Z= 1.105115 lam= -0.095117 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -578.299115 meV Im[Sigma]= 534.422408 meV Z= 0.929992 lam= 0.075278 E( 4 )= -1.9925 eV Re[Sigma]= -578.419091 meV Im[Sigma]= 534.491780 meV Z= 0.930091 lam= 0.075164 E( 5 )= 4.6996 eV Re[Sigma]= 801.029022 meV Im[Sigma]= 897.637564 meV Z= 1.058168 lam= -0.054971 E( 6 )= 4.6996 eV Re[Sigma]= 801.409245 meV Im[Sigma]= 897.276640 meV Z= 1.058130 lam= -0.054937 E( 7 )= 6.6655 eV Re[Sigma]= 745.165708 meV Im[Sigma]= 249.990039 meV Z= 0.935716 lam= 0.068701 E( 8 )= 6.6655 eV Re[Sigma]= 744.907457 meV Im[Sigma]= 249.866110 meV Z= 0.935800 lam= 0.068604 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.2612 eV Re[Sigma]= -676.200074 meV Im[Sigma]= 1658.453735 meV Z= 2.179294 lam= -0.541136 E( 4 )= -3.2359 eV Re[Sigma]= -658.063136 meV Im[Sigma]= 1661.638840 meV Z= 2.109366 lam= -0.525924 E( 5 )= 2.4480 eV Re[Sigma]= -18.532042 meV Im[Sigma]= 2357.310187 meV Z= 1.962166 lam= -0.490359 E( 6 )= 2.4800 eV Re[Sigma]= -4.468747 meV Im[Sigma]= 2395.576494 meV Z= 2.147857 lam= -0.534420 E( 7 )= 5.4114 eV Re[Sigma]= 743.473915 meV Im[Sigma]= 657.202959 meV Z= 1.059765 lam= -0.056395 E( 8 )= 5.4152 eV Re[Sigma]= 742.228954 meV Im[Sigma]= 657.660877 meV Z= 1.059839 lam= -0.056460 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -418.424430 meV Im[Sigma]= 1385.532218 meV Z= 0.986559 lam= 0.013624 E( 4 )= -2.6397 eV Re[Sigma]= -411.936052 meV Im[Sigma]= 1405.692839 meV Z= 0.992332 lam= 0.007727 E( 5 )= -1.5697 eV Re[Sigma]= -262.193093 meV Im[Sigma]= 1013.738773 meV Z= 0.771320 lam= 0.296480 E( 6 )= -1.5697 eV Re[Sigma]= -245.271543 meV Im[Sigma]= 1005.429418 meV Z= 0.769625 lam= 0.299333 E( 7 )= 3.4484 eV Re[Sigma]= 802.592933 meV Im[Sigma]= 2059.981813 meV Z= 1.788778 lam= -0.440959 E( 8 )= 3.4484 eV Re[Sigma]= 804.420182 meV Im[Sigma]= 2066.972325 meV Z= 1.802489 lam= -0.445212 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -743.353086 meV Im[Sigma]= 1046.099369 meV Z= 1.385162 lam= -0.278063 E( 4 )= -3.3237 eV Re[Sigma]= -735.640220 meV Im[Sigma]= 1050.714196 meV Z= 1.383640 lam= -0.277269 E( 5 )= 0.4964 eV Re[Sigma]= -218.337540 meV Im[Sigma]= 1334.937061 meV Z= 1.124351 lam= -0.110598 E( 6 )= 0.5165 eV Re[Sigma]= -211.859830 meV Im[Sigma]= 1347.586916 meV Z= 1.136345 lam= -0.119986 E( 7 )= 2.3321 eV Re[Sigma]= -218.231884 meV Im[Sigma]= 1432.040528 meV Z= 1.289545 lam= -0.224532 E( 8 )= 2.3325 eV Re[Sigma]= -221.034341 meV Im[Sigma]= 1429.498851 meV Z= 1.287741 lam= -0.223446 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -742.376099 meV Im[Sigma]= 1052.256046 meV Z= 1.390900 lam= -0.281041 E( 4 )= -3.3238 eV Re[Sigma]= -734.842072 meV Im[Sigma]= 1057.036031 meV Z= 1.389488 lam= -0.280310 E( 5 )= 0.4964 eV Re[Sigma]= -217.110159 meV Im[Sigma]= 1328.946630 meV Z= 1.122421 lam= -0.109069 E( 6 )= 0.5165 eV Re[Sigma]= -210.448186 meV Im[Sigma]= 1340.423686 meV Z= 1.133590 lam= -0.117847 E( 7 )= 2.3323 eV Re[Sigma]= -215.285701 meV Im[Sigma]= 1426.269663 meV Z= 1.286644 lam= -0.222784 E( 8 )= 2.3325 eV Re[Sigma]= -218.546911 meV Im[Sigma]= 1422.560980 meV Z= 1.284404 lam= -0.221429 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -1.9719 eV Re[Sigma]= -466.554916 meV Im[Sigma]= 650.183290 meV Z= 0.958373 lam= 0.043435 E( 4 )= -1.9161 eV Re[Sigma]= -462.098134 meV Im[Sigma]= 642.549339 meV Z= 0.961908 lam= 0.039601 E( 5 )= 1.0021 eV Re[Sigma]= -229.223525 meV Im[Sigma]= 1530.783221 meV Z= 1.124893 lam= -0.111027 E( 6 )= 1.0772 eV Re[Sigma]= -222.601305 meV Im[Sigma]= 1503.163348 meV Z= 1.109553 lam= -0.098736 E( 7 )= 3.9750 eV Re[Sigma]= 785.186934 meV Im[Sigma]= 1658.593806 meV Z= 1.464609 lam= -0.317224 E( 8 )= 4.0140 eV Re[Sigma]= 806.232564 meV Im[Sigma]= 1643.516816 meV Z= 1.482788 lam= -0.325595 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -679.859693 meV Im[Sigma]= 1656.790586 meV Z= 2.180673 lam= -0.541426 E( 4 )= -3.2357 eV Re[Sigma]= -661.606957 meV Im[Sigma]= 1659.355003 meV Z= 2.107982 lam= -0.525613 E( 5 )= 2.4485 eV Re[Sigma]= -9.776051 meV Im[Sigma]= 2390.436924 meV Z= 2.047473 lam= -0.511593 E( 6 )= 2.4800 eV Re[Sigma]= 4.378413 meV Im[Sigma]= 2428.156694 meV Z= 2.247250 lam= -0.555012 E( 7 )= 5.4114 eV Re[Sigma]= 732.588038 meV Im[Sigma]= 657.081547 meV Z= 1.061887 lam= -0.058280 E( 8 )= 5.4148 eV Re[Sigma]= 732.293426 meV Im[Sigma]= 657.595244 meV Z= 1.061729 lam= -0.058140 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -962.757117 meV Im[Sigma]= 582.616125 meV Z= 0.982177 lam= 0.018146 E( 4 )= -4.6608 eV Re[Sigma]= -966.695252 meV Im[Sigma]= 601.181393 meV Z= 0.985966 lam= 0.014234 E( 5 )= 2.8055 eV Re[Sigma]= 430.452882 meV Im[Sigma]= 3076.152388 meV Z= -16.897495 lam= -1.059180 E( 6 )= 2.8234 eV Re[Sigma]= 457.634786 meV Im[Sigma]= 3095.480184 meV Z= -14.861111 lam= -1.067290 E( 7 )= 4.6192 eV Re[Sigma]= 897.762091 meV Im[Sigma]= 1127.058454 meV Z= 1.009156 lam= -0.009073 E( 8 )= 4.6233 eV Re[Sigma]= 902.734418 meV Im[Sigma]= 1120.929520 meV Z= 1.005445 lam= -0.005415 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -968.182592 meV Im[Sigma]= 1453.919764 meV Z= 1.371869 lam= -0.271068 E( 4 )= -3.6551 eV Re[Sigma]= -967.824195 meV Im[Sigma]= 1467.354889 meV Z= 1.386133 lam= -0.278568 E( 5 )= -0.0882 eV Re[Sigma]= -252.193909 meV Im[Sigma]= 1545.399469 meV Z= 1.175963 lam= -0.149633 E( 6 )= -0.0673 eV Re[Sigma]= -246.210492 meV Im[Sigma]= 1577.229110 meV Z= 1.193211 lam= -0.161926 E( 7 )= 2.9123 eV Re[Sigma]= 3.379118 meV Im[Sigma]= 2884.333928 meV Z= 5.738836 lam= -0.825749 E( 8 )= 2.9437 eV Re[Sigma]= 37.521805 meV Im[Sigma]= 2914.522304 meV Z= 5.564693 lam= -0.820296 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.5853 eV Re[Sigma]= -1008.894261 meV Im[Sigma]= 1809.857105 meV Z= 2.604452 lam= -0.616042 E( 4 )= -3.5733 eV Re[Sigma]= -992.592680 meV Im[Sigma]= 1838.288541 meV Z= 2.830337 lam= -0.646685 E( 5 )= -0.5095 eV Re[Sigma]= -453.569106 meV Im[Sigma]= 1117.126697 meV Z= 1.069723 lam= -0.065179 E( 6 )= -0.5017 eV Re[Sigma]= -455.272391 meV Im[Sigma]= 1120.169971 meV Z= 1.082678 lam= -0.076364 E( 7 )= 1.3651 eV Re[Sigma]= -42.853801 meV Im[Sigma]= 1679.168125 meV Z= 1.078511 lam= -0.072796 E( 8 )= 1.3925 eV Re[Sigma]= -43.284500 meV Im[Sigma]= 1670.151558 meV Z= 1.046569 lam= -0.044497 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -422.191891 meV Im[Sigma]= 1380.323877 meV Z= 0.985886 lam= 0.014317 E( 4 )= -2.6397 eV Re[Sigma]= -413.901035 meV Im[Sigma]= 1405.510971 meV Z= 0.993159 lam= 0.006888 E( 5 )= -1.5697 eV Re[Sigma]= -242.721625 meV Im[Sigma]= 993.658303 meV Z= 0.766850 lam= 0.304037 E( 6 )= -1.5697 eV Re[Sigma]= -257.350341 meV Im[Sigma]= 1001.043542 meV Z= 0.768384 lam= 0.301432 E( 7 )= 3.4484 eV Re[Sigma]= 801.816131 meV Im[Sigma]= 2061.362590 meV Z= 1.794992 lam= -0.442895 E( 8 )= 3.4484 eV Re[Sigma]= 802.574963 meV Im[Sigma]= 2062.593131 meV Z= 1.796340 lam= -0.443313 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -966.242377 meV Im[Sigma]= 1456.280638 meV Z= 1.370034 lam= -0.270091 E( 4 )= -3.6551 eV Re[Sigma]= -966.567523 meV Im[Sigma]= 1469.565890 meV Z= 1.384204 lam= -0.277563 E( 5 )= -0.0885 eV Re[Sigma]= -261.308568 meV Im[Sigma]= 1533.534717 meV Z= 1.165517 lam= -0.142012 E( 6 )= -0.0672 eV Re[Sigma]= -254.574358 meV Im[Sigma]= 1565.933748 meV Z= 1.182942 lam= -0.154650 E( 7 )= 2.9120 eV Re[Sigma]= 14.984698 meV Im[Sigma]= 2846.094525 meV Z= 5.320238 lam= -0.812038 E( 8 )= 2.9442 eV Re[Sigma]= 49.308632 meV Im[Sigma]= 2876.232851 meV Z= 5.165129 lam= -0.806394 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -417.324112 meV Im[Sigma]= 1384.527913 meV Z= 0.989686 lam= 0.010421 E( 4 )= -2.6397 eV Re[Sigma]= -419.772597 meV Im[Sigma]= 1376.894542 meV Z= 0.987465 lam= 0.012694 E( 5 )= -1.5697 eV Re[Sigma]= -267.654942 meV Im[Sigma]= 1002.807138 meV Z= 0.770485 lam= 0.297884 E( 6 )= -1.5697 eV Re[Sigma]= -256.317873 meV Im[Sigma]= 997.462209 meV Z= 0.769269 lam= 0.299936 E( 7 )= 3.4484 eV Re[Sigma]= 782.190687 meV Im[Sigma]= 2052.487248 meV Z= 1.780843 lam= -0.438468 E( 8 )= 3.4484 eV Re[Sigma]= 785.295080 meV Im[Sigma]= 2062.581513 meV Z= 1.800464 lam= -0.444588 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.6634 eV Re[Sigma]= -967.275453 meV Im[Sigma]= 1449.929644 meV Z= 1.364990 lam= -0.267394 E( 4 )= -3.6557 eV Re[Sigma]= -968.086739 meV Im[Sigma]= 1463.149059 meV Z= 1.378377 lam= -0.274509 E( 5 )= -0.0883 eV Re[Sigma]= -262.523394 meV Im[Sigma]= 1534.797158 meV Z= 1.173537 lam= -0.147875 E( 6 )= -0.0675 eV Re[Sigma]= -256.681616 meV Im[Sigma]= 1568.283446 meV Z= 1.190476 lam= -0.160000 E( 7 )= 2.9129 eV Re[Sigma]= 18.542919 meV Im[Sigma]= 2904.681402 meV Z= 6.425921 lam= -0.844380 E( 8 )= 2.9432 eV Re[Sigma]= 52.256955 meV Im[Sigma]= 2930.283902 meV Z= 6.113482 lam= -0.836427 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -411.515042 meV Im[Sigma]= 1394.341521 meV Z= 0.993400 lam= 0.006643 E( 4 )= -2.6397 eV Re[Sigma]= -415.089222 meV Im[Sigma]= 1383.576636 meV Z= 0.989836 lam= 0.010268 E( 5 )= -1.5697 eV Re[Sigma]= -267.840867 meV Im[Sigma]= 999.338877 meV Z= 0.772460 lam= 0.294566 E( 6 )= -1.5697 eV Re[Sigma]= -276.085132 meV Im[Sigma]= 1003.187604 meV Z= 0.773275 lam= 0.293201 E( 7 )= 3.4484 eV Re[Sigma]= 798.850124 meV Im[Sigma]= 2087.751039 meV Z= 1.827931 lam= -0.452933 E( 8 )= 3.4484 eV Re[Sigma]= 800.391063 meV Im[Sigma]= 2092.583633 meV Z= 1.836663 lam= -0.455534 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -966.689363 meV Im[Sigma]= 1452.201362 meV Z= 1.370090 lam= -0.270121 E( 4 )= -3.6550 eV Re[Sigma]= -966.239959 meV Im[Sigma]= 1465.723625 meV Z= 1.384542 lam= -0.277740 E( 5 )= -0.0880 eV Re[Sigma]= -249.470088 meV Im[Sigma]= 1543.238964 meV Z= 1.174192 lam= -0.148351 E( 6 )= -0.0674 eV Re[Sigma]= -242.899545 meV Im[Sigma]= 1574.361455 meV Z= 1.191150 lam= -0.160475 E( 7 )= 2.9124 eV Re[Sigma]= 3.255208 meV Im[Sigma]= 2868.801071 meV Z= 5.402998 lam= -0.814918 E( 8 )= 2.9434 eV Re[Sigma]= 36.712147 meV Im[Sigma]= 2898.494568 meV Z= 5.254672 lam= -0.809693 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.2612 eV Re[Sigma]= -677.078739 meV Im[Sigma]= 1659.170939 meV Z= 2.179814 lam= -0.541245 E( 4 )= -3.2359 eV Re[Sigma]= -658.844722 meV Im[Sigma]= 1662.036510 meV Z= 2.108901 lam= -0.525819 E( 5 )= 2.4481 eV Re[Sigma]= -16.565766 meV Im[Sigma]= 2356.155859 meV Z= 1.969752 lam= -0.492322 E( 6 )= 2.4801 eV Re[Sigma]= -1.913708 meV Im[Sigma]= 2394.248788 meV Z= 2.156659 lam= -0.536320 E( 7 )= 5.4113 eV Re[Sigma]= 743.757839 meV Im[Sigma]= 665.032878 meV Z= 1.063641 lam= -0.059833 E( 8 )= 5.4151 eV Re[Sigma]= 742.492042 meV Im[Sigma]= 666.323162 meV Z= 1.064110 lam= -0.060248 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -1.9714 eV Re[Sigma]= -465.825362 meV Im[Sigma]= 656.554369 meV Z= 0.958067 lam= 0.043768 E( 4 )= -1.9162 eV Re[Sigma]= -460.720261 meV Im[Sigma]= 649.102829 meV Z= 0.961867 lam= 0.039645 E( 5 )= 1.0009 eV Re[Sigma]= -224.580492 meV Im[Sigma]= 1541.704627 meV Z= 1.128795 lam= -0.114099 E( 6 )= 1.0773 eV Re[Sigma]= -217.664633 meV Im[Sigma]= 1514.679010 meV Z= 1.114126 lam= -0.102435 E( 7 )= 3.9744 eV Re[Sigma]= 795.427606 meV Im[Sigma]= 1650.941606 meV Z= 1.456832 lam= -0.313579 E( 8 )= 4.0152 eV Re[Sigma]= 817.193775 meV Im[Sigma]= 1634.036093 meV Z= 1.473587 lam= -0.321384 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -738.955746 meV Im[Sigma]= 1052.377861 meV Z= 1.388207 lam= -0.279646 E( 4 )= -3.3234 eV Re[Sigma]= -731.212739 meV Im[Sigma]= 1058.682340 meV Z= 1.388437 lam= -0.279766 E( 5 )= 0.4954 eV Re[Sigma]= -231.121490 meV Im[Sigma]= 1330.355401 meV Z= 1.120778 lam= -0.107763 E( 6 )= 0.5170 eV Re[Sigma]= -223.223846 meV Im[Sigma]= 1343.193232 meV Z= 1.133583 lam= -0.117841 E( 7 )= 2.3315 eV Re[Sigma]= -204.651477 meV Im[Sigma]= 1423.636471 meV Z= 1.278534 lam= -0.217854 E( 8 )= 2.3331 eV Re[Sigma]= -201.529479 meV Im[Sigma]= 1428.321017 meV Z= 1.282425 lam= -0.220227 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.5835 eV Re[Sigma]= -1006.824311 meV Im[Sigma]= 1807.598350 meV Z= 2.603150 lam= -0.615850 E( 4 )= -3.5744 eV Re[Sigma]= -993.374499 meV Im[Sigma]= 1832.694715 meV Z= 2.799059 lam= -0.642737 E( 5 )= -0.5077 eV Re[Sigma]= -450.918378 meV Im[Sigma]= 1096.674981 meV Z= 1.063349 lam= -0.059575 E( 6 )= -0.5048 eV Re[Sigma]= -452.940899 meV Im[Sigma]= 1098.490373 meV Z= 1.071914 lam= -0.067089 E( 7 )= 1.3679 eV Re[Sigma]= -55.142418 meV Im[Sigma]= 1691.115385 meV Z= 1.084649 lam= -0.078043 E( 8 )= 1.3899 eV Re[Sigma]= -52.572222 meV Im[Sigma]= 1685.683506 meV Z= 1.055266 lam= -0.052372 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.6634 eV Re[Sigma]= -968.274179 meV Im[Sigma]= 1450.765736 meV Z= 1.365394 lam= -0.267611 E( 4 )= -3.6556 eV Re[Sigma]= -968.834879 meV Im[Sigma]= 1463.977055 meV Z= 1.379014 lam= -0.274844 E( 5 )= -0.0881 eV Re[Sigma]= -260.241308 meV Im[Sigma]= 1537.429846 meV Z= 1.173194 lam= -0.147626 E( 6 )= -0.0675 eV Re[Sigma]= -254.320576 meV Im[Sigma]= 1571.727127 meV Z= 1.190373 lam= -0.159927 E( 7 )= 2.9132 eV Re[Sigma]= 14.081120 meV Im[Sigma]= 2895.499179 meV Z= 6.207775 lam= -0.838912 E( 8 )= 2.9428 eV Re[Sigma]= 47.126067 meV Im[Sigma]= 2921.172251 meV Z= 5.933605 lam= -0.831468 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -964.031639 meV Im[Sigma]= 584.652649 meV Z= 0.982709 lam= 0.017595 E( 4 )= -4.6607 eV Re[Sigma]= -967.822035 meV Im[Sigma]= 603.288788 meV Z= 0.986514 lam= 0.013670 E( 5 )= 2.8056 eV Re[Sigma]= 425.381681 meV Im[Sigma]= 3071.466108 meV Z= -18.286904 lam= -1.054684 E( 6 )= 2.8235 eV Re[Sigma]= 453.118686 meV Im[Sigma]= 3092.021765 meV Z= -15.754190 lam= -1.063475 E( 7 )= 4.6190 eV Re[Sigma]= 899.765105 meV Im[Sigma]= 1123.478142 meV Z= 1.008249 lam= -0.008182 E( 8 )= 4.6231 eV Re[Sigma]= 904.604827 meV Im[Sigma]= 1116.809346 meV Z= 1.004125 lam= -0.004108 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -6.0649 eV Re[Sigma]= -387.105625 meV Im[Sigma]= 3.801547 meV Z= 0.929872 lam= 0.075417 E( 4 )= -6.0649 eV Re[Sigma]= -387.266893 meV Im[Sigma]= 3.764961 meV Z= 0.929823 lam= 0.075473 E( 5 )= 4.1641 eV Re[Sigma]= 785.412380 meV Im[Sigma]= 1864.080438 meV Z= 3.789923 lam= -0.736142 E( 6 )= 4.1641 eV Re[Sigma]= 785.108552 meV Im[Sigma]= 1864.378522 meV Z= 3.794365 lam= -0.736451 E( 7 )= 6.0703 eV Re[Sigma]= 614.566682 meV Im[Sigma]= 355.175548 meV Z= 0.949436 lam= 0.053257 E( 8 )= 6.0703 eV Re[Sigma]= 614.650480 meV Im[Sigma]= 355.184245 meV Z= 0.949369 lam= 0.053331 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -964.825163 meV Im[Sigma]= 586.360787 meV Z= 0.982285 lam= 0.018034 E( 4 )= -4.6607 eV Re[Sigma]= -968.502134 meV Im[Sigma]= 605.075914 meV Z= 0.986184 lam= 0.014010 E( 5 )= 2.8058 eV Re[Sigma]= 436.220722 meV Im[Sigma]= 3075.367883 meV Z= -17.005606 lam= -1.058804 E( 6 )= 2.8235 eV Re[Sigma]= 464.591232 meV Im[Sigma]= 3094.147048 meV Z= -14.892289 lam= -1.067149 E( 7 )= 4.6190 eV Re[Sigma]= 874.147257 meV Im[Sigma]= 1119.371003 meV Z= 1.012858 lam= -0.012694 E( 8 )= 4.6231 eV Re[Sigma]= 879.603935 meV Im[Sigma]= 1111.043356 meV Z= 1.008324 lam= -0.008256 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.3431 eV Re[Sigma]= -739.331537 meV Im[Sigma]= 1051.146047 meV Z= 1.387349 lam= -0.279201 E( 4 )= -3.3235 eV Re[Sigma]= -731.175209 meV Im[Sigma]= 1056.906343 meV Z= 1.387251 lam= -0.279150 E( 5 )= 0.4954 eV Re[Sigma]= -227.168388 meV Im[Sigma]= 1327.481323 meV Z= 1.120809 lam= -0.107787 E( 6 )= 0.5172 eV Re[Sigma]= -219.373034 meV Im[Sigma]= 1342.176500 meV Z= 1.133924 lam= -0.118107 E( 7 )= 2.3312 eV Re[Sigma]= -210.576014 meV Im[Sigma]= 1415.386877 meV Z= 1.276442 lam= -0.216572 E( 8 )= 2.3332 eV Re[Sigma]= -206.817551 meV Im[Sigma]= 1418.929749 meV Z= 1.280652 lam= -0.219148 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.9280 eV Re[Sigma]= -615.065876 meV Im[Sigma]= 234.685617 meV Z= 0.984322 lam= 0.015927 E( 4 )= -4.9280 eV Re[Sigma]= -614.552349 meV Im[Sigma]= 234.633345 meV Z= 0.984369 lam= 0.015879 E( 5 )= 0.4955 eV Re[Sigma]= -7.547561 meV Im[Sigma]= 1249.004294 meV Z= 1.287705 lam= -0.223424 E( 6 )= 0.4956 eV Re[Sigma]= -7.158899 meV Im[Sigma]= 1249.818351 meV Z= 1.287792 lam= -0.223477 E( 7 )= 1.6661 eV Re[Sigma]= 85.144257 meV Im[Sigma]= 546.034987 meV Z= 0.960724 lam= 0.040882 E( 8 )= 1.6661 eV Re[Sigma]= 84.962108 meV Im[Sigma]= 545.874984 meV Z= 0.960412 lam= 0.041220 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.3431 eV Re[Sigma]= -742.909973 meV Im[Sigma]= 1049.063906 meV Z= 1.387519 lam= -0.279289 E( 4 )= -3.3235 eV Re[Sigma]= -735.217083 meV Im[Sigma]= 1054.041543 meV Z= 1.386378 lam= -0.278696 E( 5 )= 0.4954 eV Re[Sigma]= -213.888564 meV Im[Sigma]= 1319.515130 meV Z= 1.117857 lam= -0.105431 E( 6 )= 0.5172 eV Re[Sigma]= -206.689897 meV Im[Sigma]= 1332.267594 meV Z= 1.129524 lam= -0.114671 E( 7 )= 2.3312 eV Re[Sigma]= -214.838095 meV Im[Sigma]= 1446.270946 meV Z= 1.301043 lam= -0.231386 E( 8 )= 2.3332 eV Re[Sigma]= -211.865110 meV Im[Sigma]= 1449.745855 meV Z= 1.303327 lam= -0.232733 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -961.290098 meV Im[Sigma]= 582.964967 meV Z= 0.983009 lam= 0.017284 E( 4 )= -4.6607 eV Re[Sigma]= -965.053359 meV Im[Sigma]= 601.786627 meV Z= 0.986818 lam= 0.013358 E( 5 )= 2.8058 eV Re[Sigma]= 431.225183 meV Im[Sigma]= 3105.730595 meV Z= -14.441167 lam= -1.069246 E( 6 )= 2.8235 eV Re[Sigma]= 459.160370 meV Im[Sigma]= 3126.806369 meV Z= -12.941809 lam= -1.077269 E( 7 )= 4.6190 eV Re[Sigma]= 888.379321 meV Im[Sigma]= 1100.006547 meV Z= 1.010087 lam= -0.009986 E( 8 )= 4.6231 eV Re[Sigma]= 894.662608 meV Im[Sigma]= 1093.628012 meV Z= 1.006544 lam= -0.006502 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -4.6737 eV Re[Sigma]= -961.166048 meV Im[Sigma]= 582.557629 meV Z= 0.982456 lam= 0.017857 E( 4 )= -4.6608 eV Re[Sigma]= -964.517196 meV Im[Sigma]= 601.438417 meV Z= 0.986477 lam= 0.013709 E( 5 )= 2.8070 eV Re[Sigma]= 439.945501 meV Im[Sigma]= 3110.412804 meV Z= -14.559982 lam= -1.068681 E( 6 )= 2.8225 eV Re[Sigma]= 466.208147 meV Im[Sigma]= 3130.547916 meV Z= -12.985599 lam= -1.077008 E( 7 )= 4.6200 eV Re[Sigma]= 882.226098 meV Im[Sigma]= 1110.543116 meV Z= 1.019106 lam= -0.018747 E( 8 )= 4.6217 eV Re[Sigma]= 888.456309 meV Im[Sigma]= 1106.714048 meV Z= 1.015639 lam= -0.015398 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -676.463533 meV Im[Sigma]= 1662.453683 meV Z= 2.197425 lam= -0.544922 E( 4 )= -3.2356 eV Re[Sigma]= -657.881059 meV Im[Sigma]= 1665.976558 meV Z= 2.125292 lam= -0.529476 E( 5 )= 2.4485 eV Re[Sigma]= 1.138853 meV Im[Sigma]= 2320.474889 meV Z= 1.926299 lam= -0.480870 E( 6 )= 2.4801 eV Re[Sigma]= 14.459081 meV Im[Sigma]= 2357.009592 meV Z= 2.094690 lam= -0.522602 E( 7 )= 5.4115 eV Re[Sigma]= 735.598310 meV Im[Sigma]= 665.325862 meV Z= 1.062272 lam= -0.058622 E( 8 )= 5.4145 eV Re[Sigma]= 735.361115 meV Im[Sigma]= 666.006182 meV Z= 1.061913 lam= -0.058303 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -1.9723 eV Re[Sigma]= -459.391932 meV Im[Sigma]= 649.974444 meV Z= 0.958693 lam= 0.043087 E( 4 )= -1.9151 eV Re[Sigma]= -453.925697 meV Im[Sigma]= 642.782709 meV Z= 0.962138 lam= 0.039352 E( 5 )= 1.0010 eV Re[Sigma]= -208.508310 meV Im[Sigma]= 1522.745990 meV Z= 1.127853 lam= -0.113360 E( 6 )= 1.0772 eV Re[Sigma]= -201.797729 meV Im[Sigma]= 1495.094753 meV Z= 1.112999 lam= -0.101527 E( 7 )= 3.9745 eV Re[Sigma]= 785.463335 meV Im[Sigma]= 1666.978489 meV Z= 1.470661 lam= -0.320034 E( 8 )= 4.0149 eV Re[Sigma]= 807.765686 meV Im[Sigma]= 1652.223348 meV Z= 1.486328 lam= -0.327201 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -737.529351 meV Im[Sigma]= 1051.984558 meV Z= 1.389715 lam= -0.280428 E( 4 )= -3.3233 eV Re[Sigma]= -729.183222 meV Im[Sigma]= 1057.914295 meV Z= 1.389706 lam= -0.280423 E( 5 )= 0.4954 eV Re[Sigma]= -231.350651 meV Im[Sigma]= 1321.120146 meV Z= 1.118583 lam= -0.106012 E( 6 )= 0.5171 eV Re[Sigma]= -223.634441 meV Im[Sigma]= 1335.692811 meV Z= 1.131676 lam= -0.116355 E( 7 )= 2.3314 eV Re[Sigma]= -210.138463 meV Im[Sigma]= 1412.420117 meV Z= 1.272440 lam= -0.214108 E( 8 )= 2.3330 eV Re[Sigma]= -206.778577 meV Im[Sigma]= 1415.671230 meV Z= 1.276183 lam= -0.216413 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.5848 eV Re[Sigma]= -1010.326676 meV Im[Sigma]= 1807.774810 meV Z= 2.590013 lam= -0.613901 E( 4 )= -3.5734 eV Re[Sigma]= -993.544403 meV Im[Sigma]= 1833.273616 meV Z= 2.800975 lam= -0.642981 E( 5 )= -0.5100 eV Re[Sigma]= -448.808968 meV Im[Sigma]= 1102.362313 meV Z= 1.067019 lam= -0.062809 E( 6 )= -0.5018 eV Re[Sigma]= -451.258953 meV Im[Sigma]= 1106.726013 meV Z= 1.080126 lam= -0.074182 E( 7 )= 1.3649 eV Re[Sigma]= -60.477550 meV Im[Sigma]= 1699.652996 meV Z= 1.084251 lam= -0.077705 E( 8 )= 1.3926 eV Re[Sigma]= -56.985294 meV Im[Sigma]= 1692.476105 meV Z= 1.052134 lam= -0.049551 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -962.969552 meV Im[Sigma]= 1458.126589 meV Z= 1.372881 lam= -0.271605 E( 4 )= -3.6550 eV Re[Sigma]= -962.900196 meV Im[Sigma]= 1471.389398 meV Z= 1.387243 lam= -0.279146 E( 5 )= -0.0880 eV Re[Sigma]= -264.587090 meV Im[Sigma]= 1532.616128 meV Z= 1.169583 lam= -0.144995 E( 6 )= -0.0673 eV Re[Sigma]= -258.293826 meV Im[Sigma]= 1563.729675 meV Z= 1.186164 lam= -0.156946 E( 7 )= 2.9124 eV Re[Sigma]= 27.537569 meV Im[Sigma]= 2904.590233 meV Z= 6.590963 lam= -0.848277 E( 8 )= 2.9434 eV Re[Sigma]= 62.555145 meV Im[Sigma]= 2930.242900 meV Z= 6.241481 lam= -0.839782 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.3431 eV Re[Sigma]= -742.420309 meV Im[Sigma]= 1044.949441 meV Z= 1.383887 lam= -0.277398 E( 4 )= -3.3236 eV Re[Sigma]= -733.426498 meV Im[Sigma]= 1049.733507 meV Z= 1.383210 lam= -0.277044 E( 5 )= 0.4965 eV Re[Sigma]= -225.162084 meV Im[Sigma]= 1326.850619 meV Z= 1.121011 lam= -0.107948 E( 6 )= 0.5165 eV Re[Sigma]= -218.541666 meV Im[Sigma]= 1338.603058 meV Z= 1.132420 lam= -0.116936 E( 7 )= 2.3321 eV Re[Sigma]= -210.368927 meV Im[Sigma]= 1440.690823 meV Z= 1.302980 lam= -0.232528 E( 8 )= 2.3323 eV Re[Sigma]= -213.473979 meV Im[Sigma]= 1437.482427 meV Z= 1.300995 lam= -0.231358 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -1.9718 eV Re[Sigma]= -468.145925 meV Im[Sigma]= 650.665880 meV Z= 0.960096 lam= 0.041562 E( 4 )= -1.9160 eV Re[Sigma]= -463.215272 meV Im[Sigma]= 642.830975 meV Z= 0.963550 lam= 0.037829 E( 5 )= 1.0022 eV Re[Sigma]= -204.240524 meV Im[Sigma]= 1544.512658 meV Z= 1.135609 lam= -0.119415 E( 6 )= 1.0770 eV Re[Sigma]= -196.343556 meV Im[Sigma]= 1514.086575 meV Z= 1.118912 lam= -0.106274 E( 7 )= 3.9751 eV Re[Sigma]= 776.222688 meV Im[Sigma]= 1643.420648 meV Z= 1.464041 lam= -0.316959 E( 8 )= 4.0137 eV Re[Sigma]= 797.341604 meV Im[Sigma]= 1632.085842 meV Z= 1.483959 lam= -0.326127 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -678.510974 meV Im[Sigma]= 1662.472909 meV Z= 2.195886 lam= -0.544603 E( 4 )= -3.2356 eV Re[Sigma]= -660.005867 meV Im[Sigma]= 1665.641024 meV Z= 2.123090 lam= -0.528988 E( 5 )= 2.4485 eV Re[Sigma]= -0.713647 meV Im[Sigma]= 2329.010681 meV Z= 1.934935 lam= -0.483187 E( 6 )= 2.4800 eV Re[Sigma]= 13.279328 meV Im[Sigma]= 2366.097942 meV Z= 2.107394 lam= -0.525480 E( 7 )= 5.4116 eV Re[Sigma]= 730.719902 meV Im[Sigma]= 660.072179 meV Z= 1.059584 lam= -0.056234 E( 8 )= 5.4145 eV Re[Sigma]= 730.268001 meV Im[Sigma]= 660.449261 meV Z= 1.059301 lam= -0.055981 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -963.695581 meV Im[Sigma]= 585.276905 meV Z= 0.982358 lam= 0.017959 E( 4 )= -4.6608 eV Re[Sigma]= -967.491714 meV Im[Sigma]= 603.892297 meV Z= 0.986188 lam= 0.014006 E( 5 )= 2.8058 eV Re[Sigma]= 436.220221 meV Im[Sigma]= 3084.294618 meV Z= -16.590090 lam= -1.060277 E( 6 )= 2.8232 eV Re[Sigma]= 463.953297 meV Im[Sigma]= 3102.374765 meV Z= -14.630942 lam= -1.068348 E( 7 )= 4.6192 eV Re[Sigma]= 875.953932 meV Im[Sigma]= 1122.879954 meV Z= 1.014657 lam= -0.014445 E( 8 )= 4.6231 eV Re[Sigma]= 881.148892 meV Im[Sigma]= 1114.949256 meV Z= 1.010437 lam= -0.010329 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -971.165617 meV Im[Sigma]= 1458.107479 meV Z= 1.368351 lam= -0.269194 E( 4 )= -3.6550 eV Re[Sigma]= -971.789855 meV Im[Sigma]= 1471.397250 meV Z= 1.382415 lam= -0.276628 E( 5 )= -0.0882 eV Re[Sigma]= -270.095754 meV Im[Sigma]= 1536.986359 meV Z= 1.163380 lam= -0.140436 E( 6 )= -0.0672 eV Re[Sigma]= -263.889781 meV Im[Sigma]= 1571.053707 meV Z= 1.181282 lam= -0.153462 E( 7 )= 2.9121 eV Re[Sigma]= 16.579219 meV Im[Sigma]= 2844.827837 meV Z= 5.222310 lam= -0.808514 E( 8 )= 2.9438 eV Re[Sigma]= 50.805825 meV Im[Sigma]= 2876.179696 meV Z= 5.104770 lam= -0.804105 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.5854 eV Re[Sigma]= -1012.965290 meV Im[Sigma]= 1812.126705 meV Z= 2.595905 lam= -0.614778 E( 4 )= -3.5732 eV Re[Sigma]= -995.876826 meV Im[Sigma]= 1838.939133 meV Z= 2.817360 lam= -0.645058 E( 5 )= -0.5096 eV Re[Sigma]= -447.982090 meV Im[Sigma]= 1107.485437 meV Z= 1.067335 lam= -0.063087 E( 6 )= -0.5017 eV Re[Sigma]= -449.776265 meV Im[Sigma]= 1111.363438 meV Z= 1.080316 lam= -0.074345 E( 7 )= 1.3650 eV Re[Sigma]= -60.635265 meV Im[Sigma]= 1704.385178 meV Z= 1.087571 lam= -0.080520 E( 8 )= 1.3925 eV Re[Sigma]= -57.865593 meV Im[Sigma]= 1696.556309 meV Z= 1.055249 lam= -0.052357 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -4.9281 eV Re[Sigma]= -614.474845 meV Im[Sigma]= 234.550478 meV Z= 0.984402 lam= 0.015845 E( 4 )= -4.9281 eV Re[Sigma]= -614.618258 meV Im[Sigma]= 234.726696 meV Z= 0.984412 lam= 0.015834 E( 5 )= 0.4948 eV Re[Sigma]= -6.483232 meV Im[Sigma]= 1250.710014 meV Z= 1.288178 lam= -0.223710 E( 6 )= 0.4948 eV Re[Sigma]= -7.322548 meV Im[Sigma]= 1249.752247 meV Z= 1.287808 lam= -0.223487 E( 7 )= 1.6672 eV Re[Sigma]= 84.361066 meV Im[Sigma]= 545.809598 meV Z= 0.960510 lam= 0.041113 E( 8 )= 1.6672 eV Re[Sigma]= 84.397514 meV Im[Sigma]= 545.041534 meV Z= 0.959961 lam= 0.041709 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -740.560185 meV Im[Sigma]= 1043.772702 meV Z= 1.383818 lam= -0.277362 E( 4 )= -3.3236 eV Re[Sigma]= -731.827802 meV Im[Sigma]= 1048.488738 meV Z= 1.382887 lam= -0.276875 E( 5 )= 0.4965 eV Re[Sigma]= -224.741146 meV Im[Sigma]= 1329.300941 meV Z= 1.121536 lam= -0.108366 E( 6 )= 0.5165 eV Re[Sigma]= -218.126013 meV Im[Sigma]= 1341.177232 meV Z= 1.132970 lam= -0.117364 E( 7 )= 2.3321 eV Re[Sigma]= -211.785679 meV Im[Sigma]= 1431.053157 meV Z= 1.296456 lam= -0.228666 E( 8 )= 2.3324 eV Re[Sigma]= -214.380803 meV Im[Sigma]= 1429.098678 meV Z= 1.295471 lam= -0.228080 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -4.6737 eV Re[Sigma]= -961.536585 meV Im[Sigma]= 583.385458 meV Z= 0.982939 lam= 0.017357 E( 4 )= -4.6608 eV Re[Sigma]= -964.991417 meV Im[Sigma]= 602.229399 meV Z= 0.986902 lam= 0.013272 E( 5 )= 2.8069 eV Re[Sigma]= 435.764446 meV Im[Sigma]= 3120.859371 meV Z= -13.333563 lam= -1.074999 E( 6 )= 2.8223 eV Re[Sigma]= 462.568436 meV Im[Sigma]= 3141.467629 meV Z= -11.958924 lam= -1.083620 E( 7 )= 4.6202 eV Re[Sigma]= 883.744604 meV Im[Sigma]= 1106.303456 meV Z= 1.016172 lam= -0.015914 E( 8 )= 4.6219 eV Re[Sigma]= 889.531652 meV Im[Sigma]= 1102.382917 meV Z= 1.013080 lam= -0.012911 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -6.0650 eV Re[Sigma]= -386.905185 meV Im[Sigma]= 3.774613 meV Z= 0.929885 lam= 0.075402 E( 4 )= -6.0650 eV Re[Sigma]= -387.039887 meV Im[Sigma]= 3.783904 meV Z= 0.929872 lam= 0.075417 E( 5 )= 4.1640 eV Re[Sigma]= 784.840103 meV Im[Sigma]= 1867.885221 meV Z= 3.813585 lam= -0.737780 E( 6 )= 4.1640 eV Re[Sigma]= 785.715866 meV Im[Sigma]= 1868.301020 meV Z= 3.813747 lam= -0.737791 E( 7 )= 6.0704 eV Re[Sigma]= 614.462319 meV Im[Sigma]= 354.470306 meV Z= 0.949430 lam= 0.053263 E( 8 )= 6.0704 eV Re[Sigma]= 614.391821 meV Im[Sigma]= 354.120804 meV Z= 0.949426 lam= 0.053268 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -4.6737 eV Re[Sigma]= -964.201949 meV Im[Sigma]= 585.462817 meV Z= 0.982028 lam= 0.018301 E( 4 )= -4.6608 eV Re[Sigma]= -968.147760 meV Im[Sigma]= 604.325669 meV Z= 0.985983 lam= 0.014216 E( 5 )= 2.8069 eV Re[Sigma]= 430.772904 meV Im[Sigma]= 3081.107181 meV Z= -16.535332 lam= -1.060477 E( 6 )= 2.8223 eV Re[Sigma]= 456.645115 meV Im[Sigma]= 3100.538254 meV Z= -14.254827 lam= -1.070152 E( 7 )= 4.6202 eV Re[Sigma]= 876.831754 meV Im[Sigma]= 1137.000582 meV Z= 1.015598 lam= -0.015358 E( 8 )= 4.6219 eV Re[Sigma]= 881.766845 meV Im[Sigma]= 1130.547978 meV Z= 1.011682 lam= -0.011547 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -740.461894 meV Im[Sigma]= 1060.376621 meV Z= 1.393448 lam= -0.282356 E( 4 )= -3.3237 eV Re[Sigma]= -732.732851 meV Im[Sigma]= 1067.226029 meV Z= 1.394192 lam= -0.282739 E( 5 )= 0.4965 eV Re[Sigma]= -218.461628 meV Im[Sigma]= 1328.678567 meV Z= 1.120439 lam= -0.107493 E( 6 )= 0.5165 eV Re[Sigma]= -211.470872 meV Im[Sigma]= 1341.212814 meV Z= 1.132621 lam= -0.117092 E( 7 )= 2.3321 eV Re[Sigma]= -212.440776 meV Im[Sigma]= 1417.931924 meV Z= 1.273373 lam= -0.214684 E( 8 )= 2.3324 eV Re[Sigma]= -214.916329 meV Im[Sigma]= 1415.711306 meV Z= 1.271348 lam= -0.213433 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.3431 eV Re[Sigma]= -737.653938 meV Im[Sigma]= 1062.458347 meV Z= 1.397086 lam= -0.284225 E( 4 )= -3.3236 eV Re[Sigma]= -729.914822 meV Im[Sigma]= 1068.832274 meV Z= 1.397462 lam= -0.284417 E( 5 )= 0.4965 eV Re[Sigma]= -223.631913 meV Im[Sigma]= 1325.160635 meV Z= 1.119549 lam= -0.106783 E( 6 )= 0.5165 eV Re[Sigma]= -216.431512 meV Im[Sigma]= 1336.675504 meV Z= 1.130984 lam= -0.115814 E( 7 )= 2.3321 eV Re[Sigma]= -214.275635 meV Im[Sigma]= 1418.800841 meV Z= 1.272905 lam= -0.214395 E( 8 )= 2.3323 eV Re[Sigma]= -217.975871 meV Im[Sigma]= 1415.191913 meV Z= 1.269930 lam= -0.212555 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.5854 eV Re[Sigma]= -1009.558456 meV Im[Sigma]= 1806.991641 meV Z= 2.588598 lam= -0.613691 E( 4 )= -3.5733 eV Re[Sigma]= -992.141150 meV Im[Sigma]= 1833.460651 meV Z= 2.807612 lam= -0.643825 E( 5 )= -0.5096 eV Re[Sigma]= -448.329404 meV Im[Sigma]= 1106.726494 meV Z= 1.068477 lam= -0.064088 E( 6 )= -0.5016 eV Re[Sigma]= -450.872746 meV Im[Sigma]= 1111.433947 meV Z= 1.081771 lam= -0.075590 E( 7 )= 1.3650 eV Re[Sigma]= -57.730292 meV Im[Sigma]= 1693.018886 meV Z= 1.083477 lam= -0.077046 E( 8 )= 1.3925 eV Re[Sigma]= -55.241191 meV Im[Sigma]= 1684.730604 meV Z= 1.051423 lam= -0.048908 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -961.791327 meV Im[Sigma]= 1458.102593 meV Z= 1.372195 lam= -0.271241 E( 4 )= -3.6550 eV Re[Sigma]= -961.665249 meV Im[Sigma]= 1471.192309 meV Z= 1.386475 lam= -0.278746 E( 5 )= -0.0882 eV Re[Sigma]= -264.866584 meV Im[Sigma]= 1536.096943 meV Z= 1.171373 lam= -0.146301 E( 6 )= -0.0672 eV Re[Sigma]= -257.843280 meV Im[Sigma]= 1567.294365 meV Z= 1.187933 lam= -0.158202 E( 7 )= 2.9121 eV Re[Sigma]= 25.800079 meV Im[Sigma]= 2901.409987 meV Z= 6.459865 lam= -0.845198 E( 8 )= 2.9438 eV Re[Sigma]= 61.606089 meV Im[Sigma]= 2927.471287 meV Z= 6.133809 lam= -0.836969 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -960.440078 meV Im[Sigma]= 582.581861 meV Z= 0.982926 lam= 0.017371 E( 4 )= -4.6608 eV Re[Sigma]= -963.872322 meV Im[Sigma]= 601.042735 meV Z= 0.986703 lam= 0.013476 E( 5 )= 2.8058 eV Re[Sigma]= 428.098669 meV Im[Sigma]= 3111.348911 meV Z= -14.446096 lam= -1.069223 E( 6 )= 2.8232 eV Re[Sigma]= 455.029921 meV Im[Sigma]= 3132.056289 meV Z= -12.986559 lam= -1.077003 E( 7 )= 4.6192 eV Re[Sigma]= 890.733976 meV Im[Sigma]= 1105.827326 meV Z= 1.014703 lam= -0.014490 E( 8 )= 4.6232 eV Re[Sigma]= 896.830345 meV Im[Sigma]= 1100.018256 meV Z= 1.010977 lam= -0.010857 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -676.479584 meV Im[Sigma]= 1650.850509 meV Z= 2.179340 lam= -0.541146 E( 4 )= -3.2356 eV Re[Sigma]= -658.106194 meV Im[Sigma]= 1653.269986 meV Z= 2.105918 lam= -0.525148 E( 5 )= 2.4485 eV Re[Sigma]= -12.326032 meV Im[Sigma]= 2324.376404 meV Z= 1.922108 lam= -0.479738 E( 6 )= 2.4800 eV Re[Sigma]= 0.665333 meV Im[Sigma]= 2361.580745 meV Z= 2.090555 lam= -0.521658 E( 7 )= 5.4116 eV Re[Sigma]= 742.300682 meV Im[Sigma]= 663.037644 meV Z= 1.058259 lam= -0.055052 E( 8 )= 5.4145 eV Re[Sigma]= 742.336104 meV Im[Sigma]= 663.824885 meV Z= 1.058243 lam= -0.055037 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -1.9718 eV Re[Sigma]= -459.033361 meV Im[Sigma]= 651.897478 meV Z= 0.960559 lam= 0.041060 E( 4 )= -1.9161 eV Re[Sigma]= -453.583449 meV Im[Sigma]= 644.773038 meV Z= 0.964250 lam= 0.037075 E( 5 )= 1.0022 eV Re[Sigma]= -210.389945 meV Im[Sigma]= 1524.284899 meV Z= 1.132746 lam= -0.117189 E( 6 )= 1.0770 eV Re[Sigma]= -204.170041 meV Im[Sigma]= 1496.319823 meV Z= 1.117943 lam= -0.105500 E( 7 )= 3.9751 eV Re[Sigma]= 794.847741 meV Im[Sigma]= 1684.183302 meV Z= 1.479797 lam= -0.324231 E( 8 )= 4.0137 eV Re[Sigma]= 817.991008 meV Im[Sigma]= 1668.636359 meV Z= 1.494505 lam= -0.330882 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -4.6737 eV Re[Sigma]= -963.500177 meV Im[Sigma]= 584.883613 meV Z= 0.982249 lam= 0.018072 E( 4 )= -4.6608 eV Re[Sigma]= -967.697701 meV Im[Sigma]= 603.785577 meV Z= 0.986157 lam= 0.014038 E( 5 )= 2.8070 eV Re[Sigma]= 437.652228 meV Im[Sigma]= 3084.727509 meV Z= -15.943220 lam= -1.062723 E( 6 )= 2.8225 eV Re[Sigma]= 463.413457 meV Im[Sigma]= 3103.533150 meV Z= -13.821845 lam= -1.072349 E( 7 )= 4.6200 eV Re[Sigma]= 874.268099 meV Im[Sigma]= 1149.072271 meV Z= 1.020420 lam= -0.020011 E( 8 )= 4.6216 eV Re[Sigma]= 879.225165 meV Im[Sigma]= 1143.171800 meV Z= 1.016464 lam= -0.016197 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -970.084736 meV Im[Sigma]= 1458.014259 meV Z= 1.368462 lam= -0.269253 E( 4 )= -3.6550 eV Re[Sigma]= -970.613554 meV Im[Sigma]= 1471.571874 meV Z= 1.382874 lam= -0.276868 E( 5 )= -0.0880 eV Re[Sigma]= -268.055602 meV Im[Sigma]= 1536.685692 meV Z= 1.162962 lam= -0.140126 E( 6 )= -0.0673 eV Re[Sigma]= -261.680669 meV Im[Sigma]= 1570.579596 meV Z= 1.180581 lam= -0.152960 E( 7 )= 2.9124 eV Re[Sigma]= 17.012316 meV Im[Sigma]= 2845.199015 meV Z= 5.232459 lam= -0.808885 E( 8 )= 2.9434 eV Re[Sigma]= 50.536776 meV Im[Sigma]= 2875.621064 meV Z= 5.106038 lam= -0.804153 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.5848 eV Re[Sigma]= -1011.436081 meV Im[Sigma]= 1816.629062 meV Z= 2.613687 lam= -0.617399 E( 4 )= -3.5734 eV Re[Sigma]= -994.912499 meV Im[Sigma]= 1842.574719 meV Z= 2.829649 lam= -0.646599 E( 5 )= -0.5100 eV Re[Sigma]= -451.269634 meV Im[Sigma]= 1109.754757 meV Z= 1.067320 lam= -0.063074 E( 6 )= -0.5019 eV Re[Sigma]= -453.119464 meV Im[Sigma]= 1113.686687 meV Z= 1.080390 lam= -0.074408 E( 7 )= 1.3649 eV Re[Sigma]= -62.925795 meV Im[Sigma]= 1706.453636 meV Z= 1.088756 lam= -0.081521 E( 8 )= 1.3926 eV Re[Sigma]= -59.279229 meV Im[Sigma]= 1699.003344 meV Z= 1.056107 lam= -0.053126 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -742.126665 meV Im[Sigma]= 1049.065810 meV Z= 1.387845 lam= -0.279458 E( 4 )= -3.3233 eV Re[Sigma]= -734.197802 meV Im[Sigma]= 1054.569763 meV Z= 1.387162 lam= -0.279104 E( 5 )= 0.4954 eV Re[Sigma]= -218.005546 meV Im[Sigma]= 1318.462572 meV Z= 1.117042 lam= -0.104779 E( 6 )= 0.5171 eV Re[Sigma]= -210.948225 meV Im[Sigma]= 1331.159353 meV Z= 1.128741 lam= -0.114058 E( 7 )= 2.3314 eV Re[Sigma]= -212.251656 meV Im[Sigma]= 1452.307607 meV Z= 1.304459 lam= -0.233399 E( 8 )= 2.3330 eV Re[Sigma]= -209.415819 meV Im[Sigma]= 1455.111568 meV Z= 1.306412 lam= -0.234545 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -1.9723 eV Re[Sigma]= -473.332668 meV Im[Sigma]= 649.684934 meV Z= 0.958337 lam= 0.043474 E( 4 )= -1.9151 eV Re[Sigma]= -468.651250 meV Im[Sigma]= 642.248577 meV Z= 0.961746 lam= 0.039775 E( 5 )= 1.0010 eV Re[Sigma]= -221.030829 meV Im[Sigma]= 1525.980706 meV Z= 1.126086 lam= -0.111969 E( 6 )= 1.0772 eV Re[Sigma]= -213.611426 meV Im[Sigma]= 1497.583373 meV Z= 1.111519 lam= -0.100330 E( 7 )= 3.9746 eV Re[Sigma]= 783.643867 meV Im[Sigma]= 1653.863164 meV Z= 1.462811 lam= -0.316385 E( 8 )= 4.0149 eV Re[Sigma]= 804.916241 meV Im[Sigma]= 1638.738769 meV Z= 1.480090 lam= -0.324366 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -678.413903 meV Im[Sigma]= 1648.330575 meV Z= 2.172162 lam= -0.539629 E( 4 )= -3.2356 eV Re[Sigma]= -659.980649 meV Im[Sigma]= 1650.846438 meV Z= 2.099066 lam= -0.523598 E( 5 )= 2.4485 eV Re[Sigma]= -7.081094 meV Im[Sigma]= 2330.489789 meV Z= 1.931310 lam= -0.482217 E( 6 )= 2.4801 eV Re[Sigma]= 6.087043 meV Im[Sigma]= 2368.153187 meV Z= 2.104170 lam= -0.524753 E( 7 )= 5.4115 eV Re[Sigma]= 737.235855 meV Im[Sigma]= 660.151386 meV Z= 1.057051 lam= -0.053971 E( 8 )= 5.4145 eV Re[Sigma]= 736.773482 meV Im[Sigma]= 661.338153 meV Z= 1.057239 lam= -0.054140 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -579.230496 meV Im[Sigma]= 533.873107 meV Z= 0.930617 lam= 0.074556 E( 4 )= -1.9925 eV Re[Sigma]= -579.210331 meV Im[Sigma]= 533.737544 meV Z= 0.930539 lam= 0.074646 E( 5 )= 4.6996 eV Re[Sigma]= 798.743952 meV Im[Sigma]= 902.055160 meV Z= 1.061235 lam= -0.057701 E( 6 )= 4.6996 eV Re[Sigma]= 798.565359 meV Im[Sigma]= 902.177247 meV Z= 1.061054 lam= -0.057541 E( 7 )= 6.6655 eV Re[Sigma]= 751.685276 meV Im[Sigma]= 257.554812 meV Z= 0.935696 lam= 0.068723 E( 8 )= 6.6655 eV Re[Sigma]= 753.346143 meV Im[Sigma]= 259.733490 meV Z= 0.935556 lam= 0.068883 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -675.889063 meV Im[Sigma]= 1666.672516 meV Z= 2.197841 lam= -0.545008 E( 4 )= -3.2356 eV Re[Sigma]= -657.351447 meV Im[Sigma]= 1670.465316 meV Z= 2.125899 lam= -0.529611 E( 5 )= 2.4485 eV Re[Sigma]= -4.905524 meV Im[Sigma]= 2379.273499 meV Z= 2.047647 lam= -0.511635 E( 6 )= 2.4801 eV Re[Sigma]= 9.328618 meV Im[Sigma]= 2416.885921 meV Z= 2.246382 lam= -0.554840 E( 7 )= 5.4114 eV Re[Sigma]= 735.540913 meV Im[Sigma]= 661.972629 meV Z= 1.059866 lam= -0.056484 E( 8 )= 5.4146 eV Re[Sigma]= 734.117800 meV Im[Sigma]= 662.486023 meV Z= 1.060036 lam= -0.056636 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -403.638170 meV Im[Sigma]= 1427.884846 meV Z= 0.997769 lam= 0.002236 E( 4 )= -2.6397 eV Re[Sigma]= -411.875282 meV Im[Sigma]= 1402.531072 meV Z= 0.990380 lam= 0.009713 E( 5 )= -1.5697 eV Re[Sigma]= -282.156925 meV Im[Sigma]= 1003.154943 meV Z= 0.770407 lam= 0.298015 E( 6 )= -1.5697 eV Re[Sigma]= -262.613460 meV Im[Sigma]= 993.778942 meV Z= 0.768477 lam= 0.301276 E( 7 )= 3.4484 eV Re[Sigma]= 800.626579 meV Im[Sigma]= 2050.171024 meV Z= 1.782752 lam= -0.439070 E( 8 )= 3.4484 eV Re[Sigma]= 799.538009 meV Im[Sigma]= 2044.858520 meV Z= 1.772325 lam= -0.435770 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3431 eV Re[Sigma]= -742.034493 meV Im[Sigma]= 1053.539224 meV Z= 1.391555 lam= -0.281379 E( 4 )= -3.3236 eV Re[Sigma]= -733.176515 meV Im[Sigma]= 1058.217513 meV Z= 1.390445 lam= -0.280806 E( 5 )= 0.4954 eV Re[Sigma]= -218.675864 meV Im[Sigma]= 1333.780647 meV Z= 1.124628 lam= -0.110817 E( 6 )= 0.5171 eV Re[Sigma]= -211.819871 meV Im[Sigma]= 1344.514011 meV Z= 1.135250 lam= -0.119137 E( 7 )= 2.3314 eV Re[Sigma]= -224.407114 meV Im[Sigma]= 1437.470384 meV Z= 1.296012 lam= -0.228402 E( 8 )= 2.3332 eV Re[Sigma]= -221.272690 meV Im[Sigma]= 1440.849990 meV Z= 1.299031 lam= -0.230196 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -0.6549 eV Re[Sigma]= -413.184650 meV Im[Sigma]= 487.514412 meV Z= 0.919834 lam= 0.087153 E( 4 )= -0.6549 eV Re[Sigma]= -412.899540 meV Im[Sigma]= 487.013815 meV Z= 0.919734 lam= 0.087271 E( 5 )= 2.1592 eV Re[Sigma]= 95.588370 meV Im[Sigma]= 893.608004 meV Z= 1.097863 lam= -0.089140 E( 6 )= 2.1592 eV Re[Sigma]= 95.491854 meV Im[Sigma]= 892.895406 meV Z= 1.097428 lam= -0.088779 E( 7 )= 3.3797 eV Re[Sigma]= 266.010531 meV Im[Sigma]= 1148.425148 meV Z= 1.251699 lam= -0.201086 E( 8 )= 3.3797 eV Re[Sigma]= 266.280318 meV Im[Sigma]= 1148.648519 meV Z= 1.251419 lam= -0.200907 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -0.0703 eV Re[Sigma]= -414.098731 meV Im[Sigma]= 1054.834619 meV Z= 1.256902 lam= -0.204393 E( 4 )= -0.0219 eV Re[Sigma]= -397.980673 meV Im[Sigma]= 1084.803935 meV Z= 1.270305 lam= -0.212788 E( 5 )= 3.8443 eV Re[Sigma]= 537.017383 meV Im[Sigma]= 1460.276632 meV Z= 1.437216 lam= -0.304210 E( 6 )= 3.8981 eV Re[Sigma]= 553.192564 meV Im[Sigma]= 1452.584951 meV Z= 1.455462 lam= -0.312933 E( 7 )= 5.5419 eV Re[Sigma]= 824.062261 meV Im[Sigma]= 753.152067 meV Z= 1.096345 lam= -0.087878 E( 8 )= 5.5438 eV Re[Sigma]= 825.405272 meV Im[Sigma]= 760.267610 meV Z= 1.099121 lam= -0.090182 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.2612 eV Re[Sigma]= -677.574922 meV Im[Sigma]= 1669.345450 meV Z= 2.210433 lam= -0.547600 E( 4 )= -3.2359 eV Re[Sigma]= -659.588872 meV Im[Sigma]= 1672.776601 meV Z= 2.137123 lam= -0.532081 E( 5 )= 2.4481 eV Re[Sigma]= -17.209320 meV Im[Sigma]= 2378.233171 meV Z= 2.004139 lam= -0.501033 E( 6 )= 2.4801 eV Re[Sigma]= -2.463263 meV Im[Sigma]= 2417.276706 meV Z= 2.202329 lam= -0.545935 E( 7 )= 5.4113 eV Re[Sigma]= 730.416071 meV Im[Sigma]= 656.726652 meV Z= 1.062900 lam= -0.059178 E( 8 )= 5.4152 eV Re[Sigma]= 730.531463 meV Im[Sigma]= 657.567443 meV Z= 1.062981 lam= -0.059250 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -963.854656 meV Im[Sigma]= 584.646276 meV Z= 0.982478 lam= 0.017835 E( 4 )= -4.6607 eV Re[Sigma]= -967.759328 meV Im[Sigma]= 603.464819 meV Z= 0.986312 lam= 0.013878 E( 5 )= 2.8057 eV Re[Sigma]= 433.529943 meV Im[Sigma]= 3047.913200 meV Z= -21.773123 lam= -1.045928 E( 6 )= 2.8235 eV Re[Sigma]= 461.148472 meV Im[Sigma]= 3066.499695 meV Z= -18.585304 lam= -1.053806 E( 7 )= 4.6190 eV Re[Sigma]= 889.417859 meV Im[Sigma]= 1122.650122 meV Z= 1.013007 lam= -0.012840 E( 8 )= 4.6231 eV Re[Sigma]= 895.195148 meV Im[Sigma]= 1116.516121 meV Z= 1.009122 lam= -0.009040 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.6634 eV Re[Sigma]= -972.956237 meV Im[Sigma]= 1453.947815 meV Z= 1.372134 lam= -0.271208 E( 4 )= -3.6556 eV Re[Sigma]= -973.734580 meV Im[Sigma]= 1467.534610 meV Z= 1.385867 lam= -0.278430 E( 5 )= -0.0881 eV Re[Sigma]= -255.852998 meV Im[Sigma]= 1542.185076 meV Z= 1.176221 lam= -0.149820 E( 6 )= -0.0675 eV Re[Sigma]= -250.191728 meV Im[Sigma]= 1576.633523 meV Z= 1.193369 lam= -0.162036 E( 7 )= 2.9132 eV Re[Sigma]= 8.133035 meV Im[Sigma]= 2857.250457 meV Z= 5.417561 lam= -0.815415 E( 8 )= 2.9428 eV Re[Sigma]= 41.286346 meV Im[Sigma]= 2883.217542 meV Z= 5.233479 lam= -0.808923 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.5835 eV Re[Sigma]= -1009.215078 meV Im[Sigma]= 1807.537818 meV Z= 2.598602 lam= -0.615178 E( 4 )= -3.5744 eV Re[Sigma]= -994.285458 meV Im[Sigma]= 1831.483060 meV Z= 2.791898 lam= -0.641821 E( 5 )= -0.5077 eV Re[Sigma]= -452.348178 meV Im[Sigma]= 1114.112782 meV Z= 1.070617 lam= -0.065959 E( 6 )= -0.5048 eV Re[Sigma]= -454.377540 meV Im[Sigma]= 1115.394845 meV Z= 1.079405 lam= -0.073564 E( 7 )= 1.3679 eV Re[Sigma]= -60.663269 meV Im[Sigma]= 1682.057069 meV Z= 1.078352 lam= -0.072659 E( 8 )= 1.3899 eV Re[Sigma]= -58.285484 meV Im[Sigma]= 1676.023384 meV Z= 1.049622 lam= -0.047276 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -741.084043 meV Im[Sigma]= 1050.559457 meV Z= 1.389193 lam= -0.280158 E( 4 )= -3.3234 eV Re[Sigma]= -732.352431 meV Im[Sigma]= 1055.228519 meV Z= 1.388012 lam= -0.279545 E( 5 )= 0.4954 eV Re[Sigma]= -214.633170 meV Im[Sigma]= 1324.184739 meV Z= 1.121225 lam= -0.108118 E( 6 )= 0.5171 eV Re[Sigma]= -207.869217 meV Im[Sigma]= 1334.879330 meV Z= 1.131774 lam= -0.116431 E( 7 )= 2.3315 eV Re[Sigma]= -223.696551 meV Im[Sigma]= 1432.198163 meV Z= 1.294303 lam= -0.227383 E( 8 )= 2.3331 eV Re[Sigma]= -221.104899 meV Im[Sigma]= 1435.015717 meV Z= 1.296645 lam= -0.228779 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -1.9714 eV Re[Sigma]= -466.980087 meV Im[Sigma]= 650.214819 meV Z= 0.957806 lam= 0.044053 E( 4 )= -1.9162 eV Re[Sigma]= -462.894327 meV Im[Sigma]= 642.129851 meV Z= 0.960859 lam= 0.040736 E( 5 )= 1.0009 eV Re[Sigma]= -219.169518 meV Im[Sigma]= 1537.384386 meV Z= 1.127843 lam= -0.113352 E( 6 )= 1.0773 eV Re[Sigma]= -213.144450 meV Im[Sigma]= 1508.375749 meV Z= 1.111762 lam= -0.100527 E( 7 )= 3.9744 eV Re[Sigma]= 780.959425 meV Im[Sigma]= 1667.697401 meV Z= 1.478322 lam= -0.323557 E( 8 )= 4.0152 eV Re[Sigma]= 802.973052 meV Im[Sigma]= 1652.198581 meV Z= 1.496230 lam= -0.331654 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -411.155434 meV Im[Sigma]= 1398.790605 meV Z= 0.991997 lam= 0.008068 E( 4 )= -2.6397 eV Re[Sigma]= -409.388235 meV Im[Sigma]= 1405.325913 meV Z= 0.993807 lam= 0.006232 E( 5 )= -1.5697 eV Re[Sigma]= -274.199071 meV Im[Sigma]= 995.451265 meV Z= 0.770627 lam= 0.297644 E( 6 )= -1.5697 eV Re[Sigma]= -280.879000 meV Im[Sigma]= 998.378953 meV Z= 0.771403 lam= 0.296340 E( 7 )= 3.4484 eV Re[Sigma]= 774.149037 meV Im[Sigma]= 2044.555471 meV Z= 1.773775 lam= -0.436231 E( 8 )= 3.4484 eV Re[Sigma]= 773.588521 meV Im[Sigma]= 2044.875601 meV Z= 1.774582 lam= -0.436487 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -965.172517 meV Im[Sigma]= 1454.407447 meV Z= 1.372145 lam= -0.271214 E( 4 )= -3.6550 eV Re[Sigma]= -964.874492 meV Im[Sigma]= 1467.266318 meV Z= 1.386142 lam= -0.278573 E( 5 )= -0.0880 eV Re[Sigma]= -261.152035 meV Im[Sigma]= 1550.035484 meV Z= 1.177385 lam= -0.150660 E( 6 )= -0.0674 eV Re[Sigma]= -254.641006 meV Im[Sigma]= 1581.266316 meV Z= 1.194487 lam= -0.162821 E( 7 )= 2.9125 eV Re[Sigma]= 30.449464 meV Im[Sigma]= 2891.605260 meV Z= 6.393440 lam= -0.843590 E( 8 )= 2.9434 eV Re[Sigma]= 65.446709 meV Im[Sigma]= 2915.421074 meV Z= 6.046439 lam= -0.834613 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -416.285923 meV Im[Sigma]= 1402.472533 meV Z= 0.994042 lam= 0.005993 E( 4 )= -2.6397 eV Re[Sigma]= -425.412187 meV Im[Sigma]= 1374.888840 meV Z= 0.986183 lam= 0.014010 E( 5 )= -1.5697 eV Re[Sigma]= -257.257829 meV Im[Sigma]= 993.252090 meV Z= 0.770723 lam= 0.297482 E( 6 )= -1.5697 eV Re[Sigma]= -273.213684 meV Im[Sigma]= 1001.259794 meV Z= 0.772280 lam= 0.294867 E( 7 )= 3.4484 eV Re[Sigma]= 782.747583 meV Im[Sigma]= 2060.848690 meV Z= 1.804985 lam= -0.445979 E( 8 )= 3.4484 eV Re[Sigma]= 784.162989 meV Im[Sigma]= 2066.555414 meV Z= 1.816416 lam= -0.449465 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.6634 eV Re[Sigma]= -972.561583 meV Im[Sigma]= 1453.124446 meV Z= 1.371027 lam= -0.270620 E( 4 )= -3.6557 eV Re[Sigma]= -973.398483 meV Im[Sigma]= 1466.699514 meV Z= 1.384787 lam= -0.277867 E( 5 )= -0.0883 eV Re[Sigma]= -257.657398 meV Im[Sigma]= 1536.055616 meV Z= 1.172379 lam= -0.147033 E( 6 )= -0.0675 eV Re[Sigma]= -251.509041 meV Im[Sigma]= 1570.549645 meV Z= 1.189618 lam= -0.159394 E( 7 )= 2.9129 eV Re[Sigma]= 7.715056 meV Im[Sigma]= 2850.271598 meV Z= 5.238879 lam= -0.809119 E( 8 )= 2.9432 eV Re[Sigma]= 41.656867 meV Im[Sigma]= 2877.034226 meV Z= 5.080587 lam= -0.803172 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -407.633571 meV Im[Sigma]= 1422.799691 meV Z= 0.996423 lam= 0.003589 E( 4 )= -2.6397 eV Re[Sigma]= -412.433459 meV Im[Sigma]= 1408.025875 meV Z= 0.991976 lam= 0.008089 E( 5 )= -1.5697 eV Re[Sigma]= -269.155904 meV Im[Sigma]= 986.697812 meV Z= 0.768338 lam= 0.301510 E( 6 )= -1.5697 eV Re[Sigma]= -266.839326 meV Im[Sigma]= 985.662132 meV Z= 0.768098 lam= 0.301918 E( 7 )= 3.4484 eV Re[Sigma]= 797.591016 meV Im[Sigma]= 2040.640724 meV Z= 1.768626 lam= -0.434589 E( 8 )= 3.4484 eV Re[Sigma]= 799.911232 meV Im[Sigma]= 2048.917597 meV Z= 1.783863 lam= -0.439419 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -964.897034 meV Im[Sigma]= 1458.798620 meV Z= 1.371371 lam= -0.270803 E( 4 )= -3.6551 eV Re[Sigma]= -965.062182 meV Im[Sigma]= 1471.873535 meV Z= 1.385409 lam= -0.278192 E( 5 )= -0.0885 eV Re[Sigma]= -266.104552 meV Im[Sigma]= 1535.542138 meV Z= 1.165174 lam= -0.141759 E( 6 )= -0.0672 eV Re[Sigma]= -260.192918 meV Im[Sigma]= 1569.608130 meV Z= 1.183181 lam= -0.154821 E( 7 )= 2.9120 eV Re[Sigma]= 32.646828 meV Im[Sigma]= 2895.131781 meV Z= 6.400924 lam= -0.843773 E( 8 )= 2.9442 eV Re[Sigma]= 68.691635 meV Im[Sigma]= 2923.206136 meV Z= 6.112190 lam= -0.836393 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -738.401062 meV Im[Sigma]= 1055.538762 meV Z= 1.391507 lam= -0.281355 E( 4 )= -3.3237 eV Re[Sigma]= -730.207000 meV Im[Sigma]= 1060.956694 meV Z= 1.391313 lam= -0.281255 E( 5 )= 0.4964 eV Re[Sigma]= -227.336101 meV Im[Sigma]= 1319.324811 meV Z= 1.117306 lam= -0.104990 E( 6 )= 0.5165 eV Re[Sigma]= -219.462219 meV Im[Sigma]= 1333.613008 meV Z= 1.130306 lam= -0.115284 E( 7 )= 2.3322 eV Re[Sigma]= -199.066605 meV Im[Sigma]= 1436.031638 meV Z= 1.292806 lam= -0.226489 E( 8 )= 2.3325 eV Re[Sigma]= -203.430483 meV Im[Sigma]= 1432.221954 meV Z= 1.289681 lam= -0.224614 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.5853 eV Re[Sigma]= -1008.482255 meV Im[Sigma]= 1800.013795 meV Z= 2.569339 lam= -0.610795 E( 4 )= -3.5733 eV Re[Sigma]= -991.410282 meV Im[Sigma]= 1825.267499 meV Z= 2.776099 lam= -0.639782 E( 5 )= -0.5096 eV Re[Sigma]= -443.129942 meV Im[Sigma]= 1098.290413 meV Z= 1.063067 lam= -0.059326 E( 6 )= -0.5017 eV Re[Sigma]= -444.772831 meV Im[Sigma]= 1101.861934 meV Z= 1.075566 lam= -0.070257 E( 7 )= 1.3651 eV Re[Sigma]= -64.647088 meV Im[Sigma]= 1695.335352 meV Z= 1.089344 lam= -0.082016 E( 8 )= 1.3925 eV Re[Sigma]= -60.723688 meV Im[Sigma]= 1687.534249 meV Z= 1.057015 lam= -0.053940 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -965.869299 meV Im[Sigma]= 1452.401242 meV Z= 1.370027 lam= -0.270087 E( 4 )= -3.6551 eV Re[Sigma]= -965.592964 meV Im[Sigma]= 1465.311930 meV Z= 1.383941 lam= -0.277426 E( 5 )= -0.0882 eV Re[Sigma]= -261.095286 meV Im[Sigma]= 1542.066949 meV Z= 1.169992 lam= -0.145293 E( 6 )= -0.0673 eV Re[Sigma]= -255.144589 meV Im[Sigma]= 1574.603058 meV Z= 1.187600 lam= -0.157965 E( 7 )= 2.9123 eV Re[Sigma]= 26.384421 meV Im[Sigma]= 2890.341039 meV Z= 6.324280 lam= -0.841879 E( 8 )= 2.9437 eV Re[Sigma]= 61.701719 meV Im[Sigma]= 2915.173580 meV Z= 6.008590 lam= -0.833572 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -962.947009 meV Im[Sigma]= 583.806507 meV Z= 0.982562 lam= 0.017748 E( 4 )= -4.6608 eV Re[Sigma]= -966.612570 meV Im[Sigma]= 602.377128 meV Z= 0.986386 lam= 0.013802 E( 5 )= 2.8055 eV Re[Sigma]= 429.428716 meV Im[Sigma]= 3053.104157 meV Z= -22.142479 lam= -1.045162 E( 6 )= 2.8234 eV Re[Sigma]= 457.779163 meV Im[Sigma]= 3071.950540 meV Z= -18.802447 lam= -1.053185 E( 7 )= 4.6192 eV Re[Sigma]= 887.200753 meV Im[Sigma]= 1122.071801 meV Z= 1.011928 lam= -0.011787 E( 8 )= 4.6233 eV Re[Sigma]= 893.521137 meV Im[Sigma]= 1114.581262 meV Z= 1.007286 lam= -0.007233 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -677.311050 meV Im[Sigma]= 1658.981916 meV Z= 2.180913 lam= -0.541476 E( 4 )= -3.2357 eV Re[Sigma]= -658.836494 meV Im[Sigma]= 1662.351432 meV Z= 2.110249 lam= -0.526122 E( 5 )= 2.4485 eV Re[Sigma]= -6.910095 meV Im[Sigma]= 2373.301390 meV Z= 2.032215 lam= -0.507926 E( 6 )= 2.4800 eV Re[Sigma]= 7.416910 meV Im[Sigma]= 2409.925439 meV Z= 2.223454 lam= -0.550249 E( 7 )= 5.4114 eV Re[Sigma]= 736.358656 meV Im[Sigma]= 662.564874 meV Z= 1.059858 lam= -0.056477 E( 8 )= 5.4148 eV Re[Sigma]= 735.123387 meV Im[Sigma]= 663.933696 meV Z= 1.060435 lam= -0.056990 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -1.9719 eV Re[Sigma]= -468.092653 meV Im[Sigma]= 655.462738 meV Z= 0.957564 lam= 0.044316 E( 4 )= -1.9161 eV Re[Sigma]= -463.029280 meV Im[Sigma]= 647.959188 meV Z= 0.961277 lam= 0.040283 E( 5 )= 1.0021 eV Re[Sigma]= -215.231072 meV Im[Sigma]= 1550.836820 meV Z= 1.134055 lam= -0.118209 E( 6 )= 1.0772 eV Re[Sigma]= -208.058210 meV Im[Sigma]= 1522.243423 meV Z= 1.119289 lam= -0.106576 E( 7 )= 3.9750 eV Re[Sigma]= 792.724415 meV Im[Sigma]= 1650.309569 meV Z= 1.461776 lam= -0.315901 E( 8 )= 4.0140 eV Re[Sigma]= 814.246365 meV Im[Sigma]= 1635.636878 meV Z= 1.479266 lam= -0.323989 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -0.6549 eV Re[Sigma]= -407.786001 meV Im[Sigma]= 498.712696 meV Z= 0.925555 lam= 0.080433 E( 4 )= -0.6549 eV Re[Sigma]= -407.763906 meV Im[Sigma]= 499.102506 meV Z= 0.925555 lam= 0.080433 E( 5 )= 2.1592 eV Re[Sigma]= 88.838295 meV Im[Sigma]= 858.044568 meV Z= 1.083547 lam= -0.077105 E( 6 )= 2.1592 eV Re[Sigma]= 88.725075 meV Im[Sigma]= 857.809824 meV Z= 1.083525 lam= -0.077086 E( 7 )= 3.3797 eV Re[Sigma]= 286.927919 meV Im[Sigma]= 1133.009248 meV Z= 1.237100 lam= -0.191658 E( 8 )= 3.3797 eV Re[Sigma]= 286.953066 meV Im[Sigma]= 1132.959062 meV Z= 1.237046 lam= -0.191623 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -738.037804 meV Im[Sigma]= 1053.881348 meV Z= 1.390445 lam= -0.280806 E( 4 )= -3.3237 eV Re[Sigma]= -729.957053 meV Im[Sigma]= 1059.952051 meV Z= 1.390681 lam= -0.280928 E( 5 )= 0.4964 eV Re[Sigma]= -220.160272 meV Im[Sigma]= 1315.995328 meV Z= 1.116554 lam= -0.104387 E( 6 )= 0.5165 eV Re[Sigma]= -212.822530 meV Im[Sigma]= 1330.516607 meV Z= 1.129320 lam= -0.114511 E( 7 )= 2.3321 eV Re[Sigma]= -202.454467 meV Im[Sigma]= 1433.398685 meV Z= 1.290907 lam= -0.225351 E( 8 )= 2.3325 eV Re[Sigma]= -205.863431 meV Im[Sigma]= 1430.559049 meV Z= 1.288857 lam= -0.224119 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -406.546304 meV Im[Sigma]= 1409.046500 meV Z= 0.995607 lam= 0.004413 E( 4 )= -2.6397 eV Re[Sigma]= -412.994658 meV Im[Sigma]= 1388.864537 meV Z= 0.989744 lam= 0.010362 E( 5 )= -1.5697 eV Re[Sigma]= -279.013969 meV Im[Sigma]= 994.026763 meV Z= 0.770400 lam= 0.298027 E( 6 )= -1.5697 eV Re[Sigma]= -282.040241 meV Im[Sigma]= 995.255896 meV Z= 0.770555 lam= 0.297766 E( 7 )= 3.4484 eV Re[Sigma]= 768.917045 meV Im[Sigma]= 2032.745784 meV Z= 1.760515 lam= -0.431984 E( 8 )= 3.4484 eV Re[Sigma]= 771.005532 meV Im[Sigma]= 2041.062821 meV Z= 1.777038 lam= -0.437266 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.2612 eV Re[Sigma]= -677.482322 meV Im[Sigma]= 1660.736350 meV Z= 2.193910 lam= -0.544193 E( 4 )= -3.2359 eV Re[Sigma]= -659.228022 meV Im[Sigma]= 1664.055385 meV Z= 2.122385 lam= -0.528832 E( 5 )= 2.4480 eV Re[Sigma]= -24.304460 meV Im[Sigma]= 2380.544419 meV Z= 1.997251 lam= -0.499312 E( 6 )= 2.4800 eV Re[Sigma]= -9.314528 meV Im[Sigma]= 2419.959948 meV Z= 2.191934 lam= -0.543782 E( 7 )= 5.4114 eV Re[Sigma]= 728.704746 meV Im[Sigma]= 654.500885 meV Z= 1.063033 lam= -0.059296 E( 8 )= 5.4152 eV Re[Sigma]= 728.442799 meV Im[Sigma]= 655.286612 meV Z= 1.063283 lam= -0.059516 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -578.352101 meV Im[Sigma]= 528.319558 meV Z= 0.929893 lam= 0.075393 E( 4 )= -1.9925 eV Re[Sigma]= -578.261267 meV Im[Sigma]= 528.375511 meV Z= 0.929821 lam= 0.075475 E( 5 )= 4.6996 eV Re[Sigma]= 788.909022 meV Im[Sigma]= 904.048507 meV Z= 1.063797 lam= -0.059971 E( 6 )= 4.6996 eV Re[Sigma]= 788.889236 meV Im[Sigma]= 903.309956 meV Z= 1.063667 lam= -0.059856 E( 7 )= 6.6655 eV Re[Sigma]= 753.644289 meV Im[Sigma]= 254.033385 meV Z= 0.933727 lam= 0.070976 E( 8 )= 6.6655 eV Re[Sigma]= 753.413879 meV Im[Sigma]= 253.732848 meV Z= 0.933705 lam= 0.071002 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -0.0700 eV Re[Sigma]= -418.858749 meV Im[Sigma]= 1053.489702 meV Z= 1.255385 lam= -0.203431 E( 4 )= -0.0221 eV Re[Sigma]= -402.437884 meV Im[Sigma]= 1083.950816 meV Z= 1.268721 lam= -0.211805 E( 5 )= 3.8448 eV Re[Sigma]= 523.141726 meV Im[Sigma]= 1402.435783 meV Z= 1.395326 lam= -0.283322 E( 6 )= 3.8985 eV Re[Sigma]= 539.151061 meV Im[Sigma]= 1396.875051 meV Z= 1.413170 lam= -0.292371 E( 7 )= 5.5413 eV Re[Sigma]= 835.398142 meV Im[Sigma]= 783.534073 meV Z= 1.106536 lam= -0.096279 E( 8 )= 5.5432 eV Re[Sigma]= 836.671985 meV Im[Sigma]= 790.015112 meV Z= 1.109061 lam= -0.098336 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -0.0700 eV Re[Sigma]= -420.887142 meV Im[Sigma]= 1052.348300 meV Z= 1.252057 lam= -0.201314 E( 4 )= -0.0220 eV Re[Sigma]= -404.743351 meV Im[Sigma]= 1083.553286 meV Z= 1.265748 lam= -0.209953 E( 5 )= 3.8448 eV Re[Sigma]= 524.252804 meV Im[Sigma]= 1401.182991 meV Z= 1.397890 lam= -0.284636 E( 6 )= 3.8986 eV Re[Sigma]= 539.575800 meV Im[Sigma]= 1395.633616 meV Z= 1.416494 lam= -0.294032 E( 7 )= 5.5412 eV Re[Sigma]= 834.488025 meV Im[Sigma]= 792.303808 meV Z= 1.111937 lam= -0.100669 E( 8 )= 5.5432 eV Re[Sigma]= 835.507329 meV Im[Sigma]= 799.836712 meV Z= 1.115193 lam= -0.103294 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -1.9718 eV Re[Sigma]= -466.981138 meV Im[Sigma]= 654.180766 meV Z= 0.957546 lam= 0.044337 E( 4 )= -1.9161 eV Re[Sigma]= -462.375598 meV Im[Sigma]= 646.712724 meV Z= 0.961110 lam= 0.040463 E( 5 )= 1.0022 eV Re[Sigma]= -209.392937 meV Im[Sigma]= 1551.577943 meV Z= 1.132846 lam= -0.117267 E( 6 )= 1.0771 eV Re[Sigma]= -202.669636 meV Im[Sigma]= 1520.845249 meV Z= 1.116218 lam= -0.104118 E( 7 )= 3.9751 eV Re[Sigma]= 793.759882 meV Im[Sigma]= 1647.939402 meV Z= 1.459846 lam= -0.314996 E( 8 )= 4.0137 eV Re[Sigma]= 815.189448 meV Im[Sigma]= 1634.994764 meV Z= 1.478299 lam= -0.323547 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -966.451446 meV Im[Sigma]= 1458.257534 meV Z= 1.369993 lam= -0.270069 E( 4 )= -3.6551 eV Re[Sigma]= -966.686174 meV Im[Sigma]= 1471.376664 meV Z= 1.384113 lam= -0.277516 E( 5 )= -0.0884 eV Re[Sigma]= -266.176506 meV Im[Sigma]= 1545.407284 meV Z= 1.171235 lam= -0.146201 E( 6 )= -0.0673 eV Re[Sigma]= -259.959321 meV Im[Sigma]= 1579.738813 meV Z= 1.189415 lam= -0.159250 E( 7 )= 2.9122 eV Re[Sigma]= 26.010975 meV Im[Sigma]= 2889.011481 meV Z= 6.159161 lam= -0.837640 E( 8 )= 2.9439 eV Re[Sigma]= 61.727820 meV Im[Sigma]= 2916.456739 meV Z= 5.905374 lam= -0.830663 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -1.9714 eV Re[Sigma]= -468.232780 meV Im[Sigma]= 648.626195 meV Z= 0.958065 lam= 0.043770 E( 4 )= -1.9162 eV Re[Sigma]= -463.692904 meV Im[Sigma]= 641.155980 meV Z= 0.961489 lam= 0.040054 E( 5 )= 1.0009 eV Re[Sigma]= -222.461074 meV Im[Sigma]= 1559.672429 meV Z= 1.141405 lam= -0.123887 E( 6 )= 1.0773 eV Re[Sigma]= -215.227458 meV Im[Sigma]= 1531.042122 meV Z= 1.125457 lam= -0.111472 E( 7 )= 3.9743 eV Re[Sigma]= 776.796516 meV Im[Sigma]= 1674.606256 meV Z= 1.483830 lam= -0.326068 E( 8 )= 4.0152 eV Re[Sigma]= 799.199642 meV Im[Sigma]= 1658.794558 meV Z= 1.501827 lam= -0.334144 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -0.0704 eV Re[Sigma]= -412.314870 meV Im[Sigma]= 1051.929683 meV Z= 1.256756 lam= -0.204301 E( 4 )= -0.0218 eV Re[Sigma]= -396.778175 meV Im[Sigma]= 1081.804850 meV Z= 1.269811 lam= -0.212481 E( 5 )= 3.8443 eV Re[Sigma]= 528.946021 meV Im[Sigma]= 1463.836860 meV Z= 1.443603 lam= -0.307289 E( 6 )= 3.8982 eV Re[Sigma]= 545.552971 meV Im[Sigma]= 1456.151766 meV Z= 1.461653 lam= -0.315843 E( 7 )= 5.5419 eV Re[Sigma]= 825.032109 meV Im[Sigma]= 759.115624 meV Z= 1.100318 lam= -0.091172 E( 8 )= 5.5437 eV Re[Sigma]= 826.339486 meV Im[Sigma]= 767.505484 meV Z= 1.103760 lam= -0.094006 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 3 )= 1.1979 eV Re[Sigma]= -5.025944 meV Im[Sigma]= 1057.327025 meV Z= 1.048530 lam= -0.046284 E( 4 )= 1.2961 eV Re[Sigma]= 14.917889 meV Im[Sigma]= 1040.791194 meV Z= 1.021659 lam= -0.021200 E( 5 )= 4.0594 eV Re[Sigma]= 648.733709 meV Im[Sigma]= 1860.053975 meV Z= 2.058341 lam= -0.514172 E( 6 )= 4.1711 eV Re[Sigma]= 729.812408 meV Im[Sigma]= 1827.844743 meV Z= 1.941756 lam= -0.485002 E( 7 )= 6.8271 eV Re[Sigma]= 510.652658 meV Im[Sigma]= 187.068652 meV Z= 0.971994 lam= 0.028813 E( 8 )= 6.8344 eV Re[Sigma]= 509.661926 meV Im[Sigma]= 180.389625 meV Z= 0.969310 lam= 0.031662 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 3 )= 3.4117 eV Re[Sigma]= 397.056716 meV Im[Sigma]= 1147.537054 meV Z= 1.225545 lam= -0.184036 E( 4 )= 3.4118 eV Re[Sigma]= 396.835002 meV Im[Sigma]= 1147.537121 meV Z= 1.224887 lam= -0.183598 E( 5 )= 6.3639 eV Re[Sigma]= 567.940540 meV Im[Sigma]= 287.566025 meV Z= 0.969438 lam= 0.031526 E( 6 )= 6.3640 eV Re[Sigma]= 567.485543 meV Im[Sigma]= 287.192629 meV Z= 0.969445 lam= 0.031518 E( 7 )= 7.7486 eV Re[Sigma]= 435.134179 meV Im[Sigma]= 24.204137 meV Z= 0.933886 lam= 0.070795 E( 8 )= 7.7513 eV Re[Sigma]= 437.402542 meV Im[Sigma]= 23.727494 meV Z= 0.933346 lam= 0.071414 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 3 )= 1.1979 eV Re[Sigma]= -14.389718 meV Im[Sigma]= 1049.746425 meV Z= 1.044722 lam= -0.042808 E( 4 )= 1.2961 eV Re[Sigma]= 5.355879 meV Im[Sigma]= 1036.855177 meV Z= 1.019123 lam= -0.018764 E( 5 )= 4.0594 eV Re[Sigma]= 656.833686 meV Im[Sigma]= 1910.150583 meV Z= 2.196726 lam= -0.544777 E( 6 )= 4.1711 eV Re[Sigma]= 741.884700 meV Im[Sigma]= 1874.759830 meV Z= 2.057505 lam= -0.513974 E( 7 )= 6.8270 eV Re[Sigma]= 509.256145 meV Im[Sigma]= 183.741618 meV Z= 0.971369 lam= 0.029475 E( 8 )= 6.8345 eV Re[Sigma]= 507.550647 meV Im[Sigma]= 176.862816 meV Z= 0.968870 lam= 0.032130 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -681.114601 meV Im[Sigma]= 1660.503853 meV Z= 2.182055 lam= -0.541716 E( 4 )= -3.2357 eV Re[Sigma]= -662.471431 meV Im[Sigma]= 1663.581720 meV Z= 2.109936 lam= -0.526052 E( 5 )= 2.4485 eV Re[Sigma]= -5.458581 meV Im[Sigma]= 2372.012643 meV Z= 1.985928 lam= -0.496457 E( 6 )= 2.4800 eV Re[Sigma]= 8.701961 meV Im[Sigma]= 2409.816270 meV Z= 2.175075 lam= -0.540246 E( 7 )= 5.4116 eV Re[Sigma]= 734.039317 meV Im[Sigma]= 643.106916 meV Z= 1.057675 lam= -0.054530 E( 8 )= 5.4146 eV Re[Sigma]= 733.285370 meV Im[Sigma]= 643.609733 meV Z= 1.057252 lam= -0.054152 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -960.758620 meV Im[Sigma]= 583.240741 meV Z= 0.982686 lam= 0.017619 E( 4 )= -4.6608 eV Re[Sigma]= -964.474088 meV Im[Sigma]= 601.918301 meV Z= 0.986501 lam= 0.013684 E( 5 )= 2.8055 eV Re[Sigma]= 429.303707 meV Im[Sigma]= 3092.857512 meV Z= -15.196058 lam= -1.065807 E( 6 )= 2.8232 eV Re[Sigma]= 457.987838 meV Im[Sigma]= 3112.393202 meV Z= -13.683435 lam= -1.073081 E( 7 )= 4.6193 eV Re[Sigma]= 884.359224 meV Im[Sigma]= 1117.513016 meV Z= 1.015979 lam= -0.015727 E( 8 )= 4.6233 eV Re[Sigma]= 890.465519 meV Im[Sigma]= 1110.350999 meV Z= 1.011698 lam= -0.011563 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -0.0702 eV Re[Sigma]= -411.513113 meV Im[Sigma]= 1036.654065 meV Z= 1.253325 lam= -0.202122 E( 4 )= -0.0219 eV Re[Sigma]= -395.385968 meV Im[Sigma]= 1065.437408 meV Z= 1.265479 lam= -0.209785 E( 5 )= 3.8444 eV Re[Sigma]= 518.266563 meV Im[Sigma]= 1433.562397 meV Z= 1.418197 lam= -0.294879 E( 6 )= 3.8979 eV Re[Sigma]= 534.093112 meV Im[Sigma]= 1428.582253 meV Z= 1.439007 lam= -0.305076 E( 7 )= 5.5421 eV Re[Sigma]= 831.039214 meV Im[Sigma]= 769.977716 meV Z= 1.104634 lam= -0.094723 E( 8 )= 5.5438 eV Re[Sigma]= 831.953835 meV Im[Sigma]= 777.038939 meV Z= 1.107631 lam= -0.097172 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 3 )= 3.4357 eV Re[Sigma]= 490.568674 meV Im[Sigma]= 1068.517862 meV Z= 1.169316 lam= -0.144799 E( 4 )= 3.4361 eV Re[Sigma]= 490.007219 meV Im[Sigma]= 1069.692692 meV Z= 1.170229 lam= -0.145466 E( 5 )= 6.1190 eV Re[Sigma]= 519.813963 meV Im[Sigma]= 194.103791 meV Z= 0.940102 lam= 0.063715 E( 6 )= 6.1191 eV Re[Sigma]= 519.814060 meV Im[Sigma]= 192.836683 meV Z= 0.939769 lam= 0.064092 E( 7 )= 6.6655 eV Re[Sigma]= 595.227200 meV Im[Sigma]= 304.840805 meV Z= 1.007352 lam= -0.007299 E( 8 )= 6.6659 eV Re[Sigma]= 595.685597 meV Im[Sigma]= 305.168585 meV Z= 1.007384 lam= -0.007330 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 3 )= 1.1981 eV Re[Sigma]= -19.228779 meV Im[Sigma]= 1052.618948 meV Z= 1.048813 lam= -0.046541 E( 4 )= 1.2954 eV Re[Sigma]= 0.984161 meV Im[Sigma]= 1041.069586 meV Z= 1.023759 lam= -0.023207 E( 5 )= 4.0589 eV Re[Sigma]= 653.692134 meV Im[Sigma]= 1891.576400 meV Z= 2.138498 lam= -0.532382 E( 6 )= 4.1720 eV Re[Sigma]= 738.172156 meV Im[Sigma]= 1859.016379 meV Z= 2.015032 lam= -0.503730 E( 7 )= 6.8262 eV Re[Sigma]= 510.486752 meV Im[Sigma]= 196.917019 meV Z= 0.978813 lam= 0.021646 E( 8 )= 6.8356 eV Re[Sigma]= 508.882414 meV Im[Sigma]= 189.014391 meV Z= 0.975816 lam= 0.024783 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -0.0703 eV Re[Sigma]= -411.602301 meV Im[Sigma]= 1049.605473 meV Z= 1.258991 lam= -0.205713 E( 4 )= -0.0219 eV Re[Sigma]= -395.376421 meV Im[Sigma]= 1079.039096 meV Z= 1.271524 lam= -0.213542 E( 5 )= 3.8443 eV Re[Sigma]= 523.983086 meV Im[Sigma]= 1436.261290 meV Z= 1.416504 lam= -0.294037 E( 6 )= 3.8980 eV Re[Sigma]= 540.506290 meV Im[Sigma]= 1429.777806 meV Z= 1.435337 lam= -0.303299 E( 7 )= 5.5420 eV Re[Sigma]= 830.997463 meV Im[Sigma]= 770.308449 meV Z= 1.105562 lam= -0.095483 E( 8 )= 5.5438 eV Re[Sigma]= 832.196229 meV Im[Sigma]= 777.687631 meV Z= 1.108790 lam= -0.098116 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -1.9724 eV Re[Sigma]= -465.447191 meV Im[Sigma]= 655.691965 meV Z= 0.959889 lam= 0.041788 E( 4 )= -1.9151 eV Re[Sigma]= -460.567562 meV Im[Sigma]= 647.887821 meV Z= 0.963431 lam= 0.037957 E( 5 )= 1.0009 eV Re[Sigma]= -228.419368 meV Im[Sigma]= 1531.957219 meV Z= 1.126752 lam= -0.112493 E( 6 )= 1.0773 eV Re[Sigma]= -221.588082 meV Im[Sigma]= 1503.627072 meV Z= 1.111131 lam= -0.100016 E( 7 )= 3.9745 eV Re[Sigma]= 794.067135 meV Im[Sigma]= 1649.422343 meV Z= 1.459521 lam= -0.314844 E( 8 )= 4.0150 eV Re[Sigma]= 815.217145 meV Im[Sigma]= 1634.730083 meV Z= 1.476767 lam= -0.322845 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.6634 eV Re[Sigma]= -966.115700 meV Im[Sigma]= 1459.226218 meV Z= 1.374410 lam= -0.272415 E( 4 )= -3.6557 eV Re[Sigma]= -966.847389 meV Im[Sigma]= 1472.325632 meV Z= 1.388201 lam= -0.279643 E( 5 )= -0.0884 eV Re[Sigma]= -254.881029 meV Im[Sigma]= 1538.164346 meV Z= 1.171379 lam= -0.146305 E( 6 )= -0.0674 eV Re[Sigma]= -248.690284 meV Im[Sigma]= 1569.305552 meV Z= 1.187868 lam= -0.158156 E( 7 )= 2.9128 eV Re[Sigma]= 19.057401 meV Im[Sigma]= 2905.207395 meV Z= 6.513222 lam= -0.846466 E( 8 )= 2.9435 eV Re[Sigma]= 54.816826 meV Im[Sigma]= 2930.622816 meV Z= 6.179653 lam= -0.838179 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -1.9725 eV Re[Sigma]= -466.130790 meV Im[Sigma]= 647.992011 meV Z= 0.960355 lam= 0.041282 E( 4 )= -1.9152 eV Re[Sigma]= -460.772122 meV Im[Sigma]= 640.477489 meV Z= 0.964225 lam= 0.037102 E( 5 )= 1.0008 eV Re[Sigma]= -208.092574 meV Im[Sigma]= 1521.957925 meV Z= 1.134539 lam= -0.118585 E( 6 )= 1.0775 eV Re[Sigma]= -201.986725 meV Im[Sigma]= 1494.762029 meV Z= 1.118521 lam= -0.105962 E( 7 )= 3.9744 eV Re[Sigma]= 778.622048 meV Im[Sigma]= 1692.808797 meV Z= 1.495564 lam= -0.331356 E( 8 )= 4.0153 eV Re[Sigma]= 801.730772 meV Im[Sigma]= 1676.124260 meV Z= 1.510585 lam= -0.338005 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -0.0703 eV Re[Sigma]= -410.974087 meV Im[Sigma]= 1028.684919 meV Z= 1.246401 lam= -0.197690 E( 4 )= -0.0218 eV Re[Sigma]= -395.335188 meV Im[Sigma]= 1057.437023 meV Z= 1.258813 lam= -0.205601 E( 5 )= 3.8444 eV Re[Sigma]= 525.117428 meV Im[Sigma]= 1436.248175 meV Z= 1.415214 lam= -0.293393 E( 6 )= 3.8980 eV Re[Sigma]= 540.674141 meV Im[Sigma]= 1431.506112 meV Z= 1.436794 lam= -0.304006 E( 7 )= 5.5421 eV Re[Sigma]= 826.648848 meV Im[Sigma]= 757.911154 meV Z= 1.096376 lam= -0.087904 E( 8 )= 5.5437 eV Re[Sigma]= 827.401754 meV Im[Sigma]= 764.705738 meV Z= 1.099287 lam= -0.090319 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.2612 eV Re[Sigma]= -674.116916 meV Im[Sigma]= 1667.510573 meV Z= 2.209138 lam= -0.547335 E( 4 )= -3.2360 eV Re[Sigma]= -655.811239 meV Im[Sigma]= 1670.552022 meV Z= 2.135926 lam= -0.531819 E( 5 )= 2.4480 eV Re[Sigma]= -11.553140 meV Im[Sigma]= 2394.629431 meV Z= 2.078106 lam= -0.518793 E( 6 )= 2.4799 eV Re[Sigma]= 3.480686 meV Im[Sigma]= 2433.017990 meV Z= 2.286938 lam= -0.562734 E( 7 )= 5.4115 eV Re[Sigma]= 731.940332 meV Im[Sigma]= 660.379262 meV Z= 1.058252 lam= -0.055046 E( 8 )= 5.4152 eV Re[Sigma]= 731.574025 meV Im[Sigma]= 660.382800 meV Z= 1.058254 lam= -0.055048 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -1.9714 eV Re[Sigma]= -458.657934 meV Im[Sigma]= 653.801274 meV Z= 0.959074 lam= 0.042673 E( 4 )= -1.9162 eV Re[Sigma]= -453.512861 meV Im[Sigma]= 646.433220 meV Z= 0.962734 lam= 0.038708 E( 5 )= 1.0009 eV Re[Sigma]= -209.517324 meV Im[Sigma]= 1547.788805 meV Z= 1.133644 lam= -0.117889 E( 6 )= 1.0773 eV Re[Sigma]= -203.014640 meV Im[Sigma]= 1518.358915 meV Z= 1.117494 lam= -0.105140 E( 7 )= 3.9744 eV Re[Sigma]= 788.626995 meV Im[Sigma]= 1682.188685 meV Z= 1.492581 lam= -0.330020 E( 8 )= 4.0152 eV Re[Sigma]= 811.000633 meV Im[Sigma]= 1665.996963 meV Z= 1.509591 lam= -0.337569 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.3430 eV Re[Sigma]= -737.656392 meV Im[Sigma]= 1050.366315 meV Z= 1.388370 lam= -0.279731 E( 4 )= -3.3235 eV Re[Sigma]= -729.800362 meV Im[Sigma]= 1055.912911 meV Z= 1.388058 lam= -0.279569 E( 5 )= 0.4954 eV Re[Sigma]= -226.743452 meV Im[Sigma]= 1340.236801 meV Z= 1.127956 lam= -0.113441 E( 6 )= 0.5172 eV Re[Sigma]= -218.901484 meV Im[Sigma]= 1352.845997 meV Z= 1.139791 lam= -0.122646 E( 7 )= 2.3311 eV Re[Sigma]= -208.085948 meV Im[Sigma]= 1429.826682 meV Z= 1.279282 lam= -0.218311 E( 8 )= 2.3332 eV Re[Sigma]= -204.712314 meV Im[Sigma]= 1433.875853 meV Z= 1.282883 lam= -0.220506 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.5835 eV Re[Sigma]= -1008.755109 meV Im[Sigma]= 1804.372157 meV Z= 2.588865 lam= -0.613730 E( 4 )= -3.5744 eV Re[Sigma]= -994.388694 meV Im[Sigma]= 1828.390581 meV Z= 2.781133 lam= -0.640434 E( 5 )= -0.5077 eV Re[Sigma]= -450.414144 meV Im[Sigma]= 1109.133198 meV Z= 1.070446 lam= -0.065810 E( 6 )= -0.5049 eV Re[Sigma]= -452.888518 meV Im[Sigma]= 1110.547261 meV Z= 1.078526 lam= -0.072809 E( 7 )= 1.3679 eV Re[Sigma]= -59.766174 meV Im[Sigma]= 1701.987492 meV Z= 1.079713 lam= -0.073828 E( 8 )= 1.3898 eV Re[Sigma]= -56.126099 meV Im[Sigma]= 1696.940064 meV Z= 1.050632 lam= -0.048192 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.6634 eV Re[Sigma]= -965.548530 meV Im[Sigma]= 1458.959142 meV Z= 1.373893 lam= -0.272141 E( 4 )= -3.6557 eV Re[Sigma]= -966.090586 meV Im[Sigma]= 1471.444950 meV Z= 1.387360 lam= -0.279206 E( 5 )= -0.0886 eV Re[Sigma]= -246.418066 meV Im[Sigma]= 1535.599424 meV Z= 1.168626 lam= -0.144294 E( 6 )= -0.0673 eV Re[Sigma]= -240.222419 meV Im[Sigma]= 1567.734726 meV Z= 1.185734 lam= -0.156641 E( 7 )= 2.9126 eV Re[Sigma]= 14.693204 meV Im[Sigma]= 2895.953460 meV Z= 6.253087 lam= -0.840079 E( 8 )= 2.9437 eV Re[Sigma]= 50.814559 meV Im[Sigma]= 2922.087157 meV Z= 5.957500 lam= -0.832144 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -959.891198 meV Im[Sigma]= 583.148416 meV Z= 0.982854 lam= 0.017445 E( 4 )= -4.6608 eV Re[Sigma]= -963.512337 meV Im[Sigma]= 601.859478 meV Z= 0.986682 lam= 0.013498 E( 5 )= 2.8056 eV Re[Sigma]= 433.578753 meV Im[Sigma]= 3092.134624 meV Z= -15.325930 lam= -1.065249 E( 6 )= 2.8230 eV Re[Sigma]= 462.248337 meV Im[Sigma]= 3111.873282 meV Z= -13.716965 lam= -1.072902 E( 7 )= 4.6195 eV Re[Sigma]= 876.187396 meV Im[Sigma]= 1109.534661 meV Z= 1.012762 lam= -0.012601 E( 8 )= 4.6234 eV Re[Sigma]= 881.809780 meV Im[Sigma]= 1102.422510 meV Z= 1.008857 lam= -0.008780 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -4.6737 eV Re[Sigma]= -964.290566 meV Im[Sigma]= 585.876019 meV Z= 0.982736 lam= 0.017567 E( 4 )= -4.6609 eV Re[Sigma]= -967.849179 meV Im[Sigma]= 604.569715 meV Z= 0.986673 lam= 0.013507 E( 5 )= 2.8066 eV Re[Sigma]= 444.859416 meV Im[Sigma]= 3115.484898 meV Z= -13.848752 lam= -1.072209 E( 6 )= 2.8221 eV Re[Sigma]= 470.084373 meV Im[Sigma]= 3134.219439 meV Z= -12.435679 lam= -1.080414 E( 7 )= 4.6205 eV Re[Sigma]= 875.226065 meV Im[Sigma]= 1110.520740 meV Z= 1.012059 lam= -0.011916 E( 8 )= 4.6221 eV Re[Sigma]= 881.685885 meV Im[Sigma]= 1105.481948 meV Z= 1.008624 lam= -0.008550 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -969.328895 meV Im[Sigma]= 1450.571708 meV Z= 1.369932 lam= -0.270037 E( 4 )= -3.6551 eV Re[Sigma]= -969.605928 meV Im[Sigma]= 1463.190887 meV Z= 1.383544 lam= -0.277218 E( 5 )= -0.0885 eV Re[Sigma]= -259.938781 meV Im[Sigma]= 1541.838373 meV Z= 1.177274 lam= -0.150580 E( 6 )= -0.0672 eV Re[Sigma]= -252.925792 meV Im[Sigma]= 1574.443789 meV Z= 1.194332 lam= -0.162712 E( 7 )= 2.9120 eV Re[Sigma]= 8.173560 meV Im[Sigma]= 2855.099447 meV Z= 5.349615 lam= -0.813071 E( 8 )= 2.9442 eV Re[Sigma]= 42.442851 meV Im[Sigma]= 2884.733877 meV Z= 5.194897 lam= -0.807503 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.5848 eV Re[Sigma]= -1006.984558 meV Im[Sigma]= 1795.579339 meV Z= 2.558799 lam= -0.609192 E( 4 )= -3.5734 eV Re[Sigma]= -990.449916 meV Im[Sigma]= 1822.622972 meV Z= 2.770231 lam= -0.639019 E( 5 )= -0.5099 eV Re[Sigma]= -458.573521 meV Im[Sigma]= 1115.634258 meV Z= 1.070372 lam= -0.065745 E( 6 )= -0.5019 eV Re[Sigma]= -460.439471 meV Im[Sigma]= 1118.491673 meV Z= 1.082451 lam= -0.076171 E( 7 )= 1.3650 eV Re[Sigma]= -56.786238 meV Im[Sigma]= 1700.106842 meV Z= 1.080283 lam= -0.074317 E( 8 )= 1.3925 eV Re[Sigma]= -54.263472 meV Im[Sigma]= 1691.811254 meV Z= 1.047987 lam= -0.045790 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3430 eV Re[Sigma]= -737.338648 meV Im[Sigma]= 1056.128565 meV Z= 1.392981 lam= -0.282115 E( 4 )= -3.3236 eV Re[Sigma]= -729.323252 meV Im[Sigma]= 1062.059051 meV Z= 1.393100 lam= -0.282177 E( 5 )= 0.4953 eV Re[Sigma]= -228.774147 meV Im[Sigma]= 1338.593763 meV Z= 1.126208 lam= -0.112064 E( 6 )= 0.5172 eV Re[Sigma]= -220.980937 meV Im[Sigma]= 1351.593072 meV Z= 1.138355 lam= -0.121539 E( 7 )= 2.3312 eV Re[Sigma]= -209.972030 meV Im[Sigma]= 1429.536798 meV Z= 1.277888 lam= -0.217459 E( 8 )= 2.3333 eV Re[Sigma]= -206.261299 meV Im[Sigma]= 1433.750647 meV Z= 1.281813 lam= -0.219855 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -1.9725 eV Re[Sigma]= -467.241212 meV Im[Sigma]= 652.058476 meV Z= 0.958452 lam= 0.043349 E( 4 )= -1.9152 eV Re[Sigma]= -462.390489 meV Im[Sigma]= 644.396792 meV Z= 0.962088 lam= 0.039406 E( 5 )= 1.0008 eV Re[Sigma]= -228.555304 meV Im[Sigma]= 1529.115807 meV Z= 1.125058 lam= -0.111157 E( 6 )= 1.0775 eV Re[Sigma]= -221.639677 meV Im[Sigma]= 1500.227492 meV Z= 1.109480 lam= -0.098677 E( 7 )= 3.9744 eV Re[Sigma]= 797.270943 meV Im[Sigma]= 1660.150121 meV Z= 1.465097 lam= -0.317451 E( 8 )= 4.0152 eV Re[Sigma]= 819.274043 meV Im[Sigma]= 1644.275045 meV Z= 1.481774 lam= -0.325133 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -679.983083 meV Im[Sigma]= 1665.017982 meV Z= 2.191340 lam= -0.543658 E( 4 )= -3.2357 eV Re[Sigma]= -661.260820 meV Im[Sigma]= 1668.272265 meV Z= 2.118821 lam= -0.528039 E( 5 )= 2.4485 eV Re[Sigma]= -10.123270 meV Im[Sigma]= 2372.267230 meV Z= 1.987876 lam= -0.496951 E( 6 )= 2.4799 eV Re[Sigma]= 3.558141 meV Im[Sigma]= 2409.021494 meV Z= 2.174392 lam= -0.540101 E( 7 )= 5.4115 eV Re[Sigma]= 732.912686 meV Im[Sigma]= 651.052025 meV Z= 1.060991 lam= -0.057485 E( 8 )= 5.4149 eV Re[Sigma]= 732.378397 meV Im[Sigma]= 652.679965 meV Z= 1.061255 lam= -0.057719 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -0.0700 eV Re[Sigma]= -416.925356 meV Im[Sigma]= 1058.960171 meV Z= 1.257714 lam= -0.204907 E( 4 )= -0.0221 eV Re[Sigma]= -400.372771 meV Im[Sigma]= 1090.450309 meV Z= 1.271942 lam= -0.213800 E( 5 )= 3.8449 eV Re[Sigma]= 534.925708 meV Im[Sigma]= 1419.354174 meV Z= 1.403856 lam= -0.287676 E( 6 )= 3.8983 eV Re[Sigma]= 550.393735 meV Im[Sigma]= 1413.226630 meV Z= 1.422123 lam= -0.296826 E( 7 )= 5.5415 eV Re[Sigma]= 822.628972 meV Im[Sigma]= 784.777645 meV Z= 1.112295 lam= -0.100958 E( 8 )= 5.5432 eV Re[Sigma]= 824.065958 meV Im[Sigma]= 791.980007 meV Z= 1.115495 lam= -0.103537 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -1.9719 eV Re[Sigma]= -464.565356 meV Im[Sigma]= 650.998196 meV Z= 0.960459 lam= 0.041169 E( 4 )= -1.9161 eV Re[Sigma]= -458.501417 meV Im[Sigma]= 644.057446 meV Z= 0.964278 lam= 0.037046 E( 5 )= 1.0020 eV Re[Sigma]= -227.697767 meV Im[Sigma]= 1521.972802 meV Z= 1.124713 lam= -0.110884 E( 6 )= 1.0773 eV Re[Sigma]= -218.768301 meV Im[Sigma]= 1494.780272 meV Z= 1.110734 lam= -0.099694 E( 7 )= 3.9749 eV Re[Sigma]= 792.532333 meV Im[Sigma]= 1647.116092 meV Z= 1.457878 lam= -0.314071 E( 8 )= 4.0140 eV Re[Sigma]= 814.618132 meV Im[Sigma]= 1632.247635 meV Z= 1.474796 lam= -0.321940 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -971.315079 meV Im[Sigma]= 1448.341018 meV Z= 1.367064 lam= -0.268506 E( 4 )= -3.6551 eV Re[Sigma]= -971.773458 meV Im[Sigma]= 1461.564293 meV Z= 1.381029 lam= -0.275902 E( 5 )= -0.0883 eV Re[Sigma]= -264.612514 meV Im[Sigma]= 1526.449562 meV Z= 1.169218 lam= -0.144727 E( 6 )= -0.0672 eV Re[Sigma]= -258.405278 meV Im[Sigma]= 1559.090392 meV Z= 1.185901 lam= -0.156759 E( 7 )= 2.9120 eV Re[Sigma]= 6.944847 meV Im[Sigma]= 2857.378496 meV Z= 5.299498 lam= -0.811303 E( 8 )= 2.9440 eV Re[Sigma]= 41.235395 meV Im[Sigma]= 2887.770534 meV Z= 5.170020 lam= -0.806577 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -1.9714 eV Re[Sigma]= -455.756448 meV Im[Sigma]= 645.928668 meV Z= 0.957071 lam= 0.044854 E( 4 )= -1.9162 eV Re[Sigma]= -450.651873 meV Im[Sigma]= 638.364123 meV Z= 0.960332 lam= 0.041306 E( 5 )= 1.0009 eV Re[Sigma]= -217.468991 meV Im[Sigma]= 1546.220574 meV Z= 1.133884 lam= -0.118076 E( 6 )= 1.0774 eV Re[Sigma]= -210.731763 meV Im[Sigma]= 1516.993764 meV Z= 1.118291 lam= -0.105779 E( 7 )= 3.9743 eV Re[Sigma]= 788.614725 meV Im[Sigma]= 1690.855848 meV Z= 1.503171 lam= -0.334740 E( 8 )= 4.0153 eV Re[Sigma]= 811.837853 meV Im[Sigma]= 1674.286750 meV Z= 1.519892 lam= -0.342059 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -0.0702 eV Re[Sigma]= -413.315568 meV Im[Sigma]= 1035.695400 meV Z= 1.249196 lam= -0.199485 E( 4 )= -0.0219 eV Re[Sigma]= -397.721369 meV Im[Sigma]= 1066.189287 meV Z= 1.262376 lam= -0.207843 E( 5 )= 3.8443 eV Re[Sigma]= 520.038630 meV Im[Sigma]= 1448.022758 meV Z= 1.433815 lam= -0.302560 E( 6 )= 3.8979 eV Re[Sigma]= 537.278284 meV Im[Sigma]= 1441.471459 meV Z= 1.451910 lam= -0.311252 E( 7 )= 5.5421 eV Re[Sigma]= 838.140763 meV Im[Sigma]= 761.782270 meV Z= 1.099017 lam= -0.090096 E( 8 )= 5.5438 eV Re[Sigma]= 839.647014 meV Im[Sigma]= 768.935697 meV Z= 1.101941 lam= -0.092511 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 3 )= 1.1982 eV Re[Sigma]= -12.443889 meV Im[Sigma]= 1051.450023 meV Z= 1.047427 lam= -0.045280 E( 4 )= 1.2959 eV Re[Sigma]= 7.536194 meV Im[Sigma]= 1037.640214 meV Z= 1.021544 lam= -0.021089 E( 5 )= 4.0594 eV Re[Sigma]= 655.437215 meV Im[Sigma]= 1921.073609 meV Z= 2.221913 lam= -0.549937 E( 6 )= 4.1710 eV Re[Sigma]= 740.925044 meV Im[Sigma]= 1885.357081 meV Z= 2.077712 lam= -0.518701 E( 7 )= 6.8269 eV Re[Sigma]= 512.872297 meV Im[Sigma]= 191.510145 meV Z= 0.974599 lam= 0.026063 E( 8 )= 6.8348 eV Re[Sigma]= 511.466101 meV Im[Sigma]= 184.828229 meV Z= 0.972095 lam= 0.028706 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 3 )= 3.4361 eV Re[Sigma]= 504.837729 meV Im[Sigma]= 1075.084840 meV Z= 1.167534 lam= -0.143494 E( 4 )= 3.4363 eV Re[Sigma]= 505.091909 meV Im[Sigma]= 1074.447606 meV Z= 1.166710 lam= -0.142889 E( 5 )= 6.1191 eV Re[Sigma]= 521.324954 meV Im[Sigma]= 199.071195 meV Z= 0.940952 lam= 0.062753 E( 6 )= 6.1192 eV Re[Sigma]= 521.059230 meV Im[Sigma]= 198.316294 meV Z= 0.940792 lam= 0.062934 E( 7 )= 6.6650 eV Re[Sigma]= 591.698744 meV Im[Sigma]= 311.242894 meV Z= 1.009279 lam= -0.009194 E( 8 )= 6.6652 eV Re[Sigma]= 590.635539 meV Im[Sigma]= 310.728097 meV Z= 1.009489 lam= -0.009400 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -0.0700 eV Re[Sigma]= -419.545029 meV Im[Sigma]= 1060.635788 meV Z= 1.255706 lam= -0.203635 E( 4 )= -0.0221 eV Re[Sigma]= -403.262649 meV Im[Sigma]= 1092.253883 meV Z= 1.269745 lam= -0.212440 E( 5 )= 3.8449 eV Re[Sigma]= 538.558791 meV Im[Sigma]= 1413.425611 meV Z= 1.395318 lam= -0.283318 E( 6 )= 3.8984 eV Re[Sigma]= 554.140715 meV Im[Sigma]= 1407.499613 meV Z= 1.414127 lam= -0.292850 E( 7 )= 5.5414 eV Re[Sigma]= 820.240193 meV Im[Sigma]= 778.343358 meV Z= 1.108848 lam= -0.098163 E( 8 )= 5.5432 eV Re[Sigma]= 821.385127 meV Im[Sigma]= 786.151903 meV Z= 1.112440 lam= -0.101075 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -4.6737 eV Re[Sigma]= -964.786367 meV Im[Sigma]= 586.456807 meV Z= 0.982869 lam= 0.017430 E( 4 )= -4.6609 eV Re[Sigma]= -968.276037 meV Im[Sigma]= 605.137094 meV Z= 0.986826 lam= 0.013350 E( 5 )= 2.8068 eV Re[Sigma]= 441.525464 meV Im[Sigma]= 3119.321549 meV Z= -13.789145 lam= -1.072521 E( 6 )= 2.8222 eV Re[Sigma]= 467.008143 meV Im[Sigma]= 3139.316490 meV Z= -12.258713 lam= -1.081575 E( 7 )= 4.6203 eV Re[Sigma]= 874.253681 meV Im[Sigma]= 1104.649338 meV Z= 1.009096 lam= -0.009014 E( 8 )= 4.6220 eV Re[Sigma]= 879.735498 meV Im[Sigma]= 1098.835277 meV Z= 1.005558 lam= -0.005527 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.2612 eV Re[Sigma]= -676.513395 meV Im[Sigma]= 1660.210900 meV Z= 2.193229 lam= -0.544051 E( 4 )= -3.2360 eV Re[Sigma]= -658.385536 meV Im[Sigma]= 1663.487524 meV Z= 2.121881 lam= -0.528720 E( 5 )= 2.4480 eV Re[Sigma]= -18.811999 meV Im[Sigma]= 2395.759221 meV Z= 2.070131 lam= -0.516939 E( 6 )= 2.4800 eV Re[Sigma]= -3.879928 meV Im[Sigma]= 2434.171263 meV Z= 2.275607 lam= -0.560557 E( 7 )= 5.4114 eV Re[Sigma]= 731.014176 meV Im[Sigma]= 663.660264 meV Z= 1.060939 lam= -0.057438 E( 8 )= 5.4152 eV Re[Sigma]= 730.175491 meV Im[Sigma]= 663.888232 meV Z= 1.061225 lam= -0.057693 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 3 )= 1.1981 eV Re[Sigma]= -24.120672 meV Im[Sigma]= 1041.956804 meV Z= 1.045740 lam= -0.043740 E( 4 )= 1.2954 eV Re[Sigma]= -4.018081 meV Im[Sigma]= 1031.313842 meV Z= 1.021616 lam= -0.021159 E( 5 )= 4.0589 eV Re[Sigma]= 656.391370 meV Im[Sigma]= 1914.109956 meV Z= 2.171710 lam= -0.539533 E( 6 )= 4.1720 eV Re[Sigma]= 741.790938 meV Im[Sigma]= 1879.936268 meV Z= 2.039286 lam= -0.509632 E( 7 )= 6.8262 eV Re[Sigma]= 507.529596 meV Im[Sigma]= 188.116950 meV Z= 0.975245 lam= 0.025384 E( 8 )= 6.8356 eV Re[Sigma]= 505.477249 meV Im[Sigma]= 180.335558 meV Z= 0.972465 lam= 0.028315 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 3 )= 3.4117 eV Re[Sigma]= 393.299623 meV Im[Sigma]= 1155.939595 meV Z= 1.230474 lam= -0.187305 E( 4 )= 3.4118 eV Re[Sigma]= 393.178296 meV Im[Sigma]= 1155.611434 meV Z= 1.230216 lam= -0.187135 E( 5 )= 6.3639 eV Re[Sigma]= 564.734313 meV Im[Sigma]= 284.946739 meV Z= 0.969631 lam= 0.031320 E( 6 )= 6.3640 eV Re[Sigma]= 564.509000 meV Im[Sigma]= 284.768975 meV Z= 0.969613 lam= 0.031339 E( 7 )= 7.7486 eV Re[Sigma]= 436.414714 meV Im[Sigma]= 24.363276 meV Z= 0.933787 lam= 0.070909 E( 8 )= 7.7512 eV Re[Sigma]= 438.593639 meV Im[Sigma]= 23.946169 meV Z= 0.933297 lam= 0.071470 ------------------------------------------------------------------- 1 3 4.8113 602.6439 341.6803 0.9704 0.0305 2 3 3.4118 397.8199 1146.7227 1.2242 -0.1831 3 3 -1.9925 -578.6761 535.3899 0.9292 0.0761 4 3 -6.0650 -386.9804 3.7838 0.9299 0.0754 5 3 -1.9925 -579.6077 526.3252 0.9306 0.0746 6 3 3.4118 384.1423 1162.3794 1.2348 -0.1901 7 3 3.4118 390.4084 1138.9740 1.2174 -0.1786 8 3 3.4357 486.6656 1057.8038 1.1655 -0.1420 9 3 -0.0704 -405.4673 1041.3987 1.2542 -0.2027 10 3 -4.6739 -963.6034 583.1755 0.9821 0.0182 11 3 -3.2615 -678.0441 1656.1397 2.1912 -0.5436 12 3 1.1983 -26.2478 1039.1906 1.0474 -0.0453 13 3 -1.9925 -576.3442 529.2936 0.9311 0.0740 14 3 -0.0704 -417.0417 1051.1703 1.2562 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897.4338 1124.6188 1.0117 -0.0116 21 8 2.3330 -216.2306 1426.1276 1.2720 -0.2138 22 8 1.6661 93.9069 542.3266 0.9602 0.0414 23 8 2.3330 -204.6343 1446.5921 1.2896 -0.2245 24 8 4.6234 901.8620 1105.5606 1.0021 -0.0021 25 8 6.6655 754.9242 260.1480 0.9357 0.0687 26 8 5.4149 738.6903 674.2640 1.0665 -0.0624 27 8 3.4484 809.9484 2103.8184 1.8666 -0.4643 28 8 2.3330 -220.7855 1430.8395 1.2733 -0.2146 29 8 3.3797 289.4993 1124.0553 1.2440 -0.1961 30 8 5.5437 838.3261 772.2404 1.1006 -0.0914 31 8 7.7511 437.0842 23.7549 0.9333 0.0715 32 8 6.8349 515.0289 187.2831 0.9706 0.0303 33 8 5.4149 738.7430 659.9836 1.0596 -0.0563 34 8 4.6232 897.7379 1117.0203 1.0063 -0.0063 35 8 5.5437 846.1728 766.6995 1.0991 -0.0901 36 8 6.6659 587.5540 294.6421 1.0041 -0.0040 37 8 7.7513 436.7915 24.8417 0.9340 0.0706 38 8 6.6659 590.4697 303.7973 1.0062 -0.0062 39 8 5.5437 826.4617 785.7273 1.1125 -0.1011 40 8 4.6233 890.1862 1124.1782 1.0131 -0.0129 41 8 5.4146 736.5364 666.0334 1.0632 -0.0595 42 8 6.8345 507.5963 181.7923 0.9727 0.0280 43 8 6.6652 594.9325 305.4180 1.0078 -0.0077 44 8 7.7512 437.1286 23.6826 0.9334 0.0713 45 8 6.8356 509.1055 178.3703 0.9691 0.0319 46 8 5.4152 736.6498 655.9431 1.0610 -0.0575 47 8 4.6220 897.9186 1113.1957 1.0128 -0.0126 48 8 5.5432 839.1201 775.8819 1.1066 -0.0963 49 8 5.5432 830.5737 767.2056 1.1014 -0.0921 50 8 6.8348 507.2235 182.5153 0.9730 0.0278 51 8 5.5438 840.4751 775.5028 1.1031 -0.0935 52 8 4.0152 813.1318 1645.8966 1.4780 -0.3234 53 8 2.9440 53.1037 2918.0218 5.9361 -0.8315 54 8 4.0140 797.2618 1665.9772 1.5019 -0.3342 55 8 4.6221 883.4521 1098.8298 1.0082 -0.0081 56 8 5.4149 738.4352 656.3988 1.0578 -0.0547 57 8 4.0152 809.4390 1674.6651 1.5055 -0.3358 58 8 2.3333 -220.3860 1440.5128 1.2824 -0.2202 59 8 1.3925 -59.4976 1693.2360 1.0490 -0.0468 60 8 2.9442 49.9364 2903.8710 5.6265 -0.8223 61 8 5.4152 734.8926 665.2709 1.0653 -0.0613 62 8 4.6234 887.8834 1118.1161 1.0106 -0.0105 63 8 2.9437 52.7751 2902.6310 5.4842 -0.8177 64 8 1.3899 -60.4117 1685.4602 1.0470 -0.0449 65 8 2.3332 -219.0720 1437.1223 1.2780 -0.2175 66 8 4.0152 816.0109 1648.0604 1.4724 -0.3208 67 8 6.8356 512.6336 187.6675 0.9728 0.0279 68 8 5.5437 827.2248 786.2110 1.1115 -0.1003 69 8 4.0153 818.1518 1623.5725 1.4638 -0.3169 70 8 2.9434 49.6659 2898.2584 5.3876 -0.8144 71 8 4.0150 809.1618 1685.1608 1.5177 -0.3411 72 8 5.5438 846.3134 775.0372 1.1023 -0.0928 73 8 6.6655 740.9801 247.9620 0.9363 0.0681 74 8 5.5438 833.0321 790.6504 1.1133 -0.1018 75 8 3.3797 291.5728 1122.7299 1.2337 -0.1894 76 8 2.3332 -204.2224 1420.8062 1.2771 -0.2170 77 8 3.4484 776.2414 2047.0573 1.7781 -0.4376 78 8 5.4146 729.8388 656.8994 1.0616 -0.0580 79 8 5.5432 816.8596 768.8603 1.1080 -0.0974 80 8 6.8344 506.5912 183.9788 0.9731 0.0277 81 8 5.5438 833.9015 793.1802 1.1157 -0.1037 82 8 4.0152 817.4452 1636.2780 1.4753 -0.3222 83 8 2.9439 44.3513 2888.8149 5.2897 -0.8110 84 8 4.0137 800.9227 1654.0921 1.4920 -0.3297 85 8 3.3797 268.5415 1134.6793 1.2454 -0.1970 86 8 5.5432 818.0322 766.5533 1.1051 -0.0951 87 8 6.6655 744.9075 249.8661 0.9358 0.0686 88 8 5.4152 742.2290 657.6609 1.0598 -0.0565 89 8 3.4484 804.4202 2066.9723 1.8025 -0.4452 90 8 2.3325 -221.0343 1429.4989 1.2877 -0.2234 91 8 2.3325 -218.5469 1422.5610 1.2844 -0.2214 92 8 4.0140 806.2326 1643.5168 1.4828 -0.3256 93 8 5.4148 732.2934 657.5952 1.0617 -0.0581 94 8 4.6233 902.7344 1120.9295 1.0054 -0.0054 95 8 2.9437 37.5218 2914.5223 5.5647 -0.8203 96 8 1.3925 -43.2845 1670.1516 1.0466 -0.0445 97 8 3.4484 802.5750 2062.5931 1.7963 -0.4433 98 8 2.9442 49.3086 2876.2329 5.1651 -0.8064 99 8 3.4484 785.2951 2062.5815 1.8005 -0.4446 100 8 2.9432 52.2570 2930.2839 6.1135 -0.8364 101 8 3.4484 800.3911 2092.5836 1.8367 -0.4555 102 8 2.9434 36.7121 2898.4946 5.2547 -0.8097 103 8 5.4151 742.4920 666.3232 1.0641 -0.0602 104 8 4.0152 817.1938 1634.0361 1.4736 -0.3214 105 8 2.3331 -201.5295 1428.3210 1.2824 -0.2202 106 8 1.3899 -52.5722 1685.6835 1.0553 -0.0524 107 8 2.9428 47.1261 2921.1723 5.9336 -0.8315 108 8 4.6231 904.6048 1116.8093 1.0041 -0.0041 109 8 6.0703 614.6505 355.1842 0.9494 0.0533 110 8 4.6231 879.6039 1111.0434 1.0083 -0.0083 111 8 2.3332 -206.8176 1418.9297 1.2807 -0.2191 112 8 1.6661 84.9621 545.8750 0.9604 0.0412 113 8 2.3332 -211.8651 1449.7459 1.3033 -0.2327 114 8 4.6231 894.6626 1093.6280 1.0065 -0.0065 115 8 4.6217 888.4563 1106.7140 1.0156 -0.0154 116 8 5.4145 735.3611 666.0062 1.0619 -0.0583 117 8 4.0149 807.7657 1652.2233 1.4863 -0.3272 118 8 2.3330 -206.7786 1415.6712 1.2762 -0.2164 119 8 1.3926 -56.9853 1692.4761 1.0521 -0.0496 120 8 2.9434 62.5551 2930.2429 6.2415 -0.8398 121 8 2.3323 -213.4740 1437.4824 1.3010 -0.2314 122 8 4.0137 797.3416 1632.0858 1.4840 -0.3261 123 8 5.4145 730.2680 660.4493 1.0593 -0.0560 124 8 4.6231 881.1489 1114.9493 1.0104 -0.0103 125 8 2.9438 50.8058 2876.1797 5.1048 -0.8041 126 8 1.3925 -57.8656 1696.5563 1.0552 -0.0524 127 8 1.6672 84.3975 545.0415 0.9600 0.0417 128 8 2.3324 -214.3808 1429.0987 1.2955 -0.2281 129 8 4.6219 889.5317 1102.3829 1.0131 -0.0129 130 8 6.0704 614.3918 354.1208 0.9494 0.0533 131 8 4.6219 881.7668 1130.5480 1.0117 -0.0115 132 8 2.3324 -214.9163 1415.7113 1.2713 -0.2134 133 8 2.3323 -217.9759 1415.1919 1.2699 -0.2126 134 8 1.3925 -55.2412 1684.7306 1.0514 -0.0489 135 8 2.9438 61.6061 2927.4713 6.1338 -0.8370 136 8 4.6232 896.8303 1100.0183 1.0110 -0.0109 137 8 5.4145 742.3361 663.8249 1.0582 -0.0550 138 8 4.0137 817.9910 1668.6364 1.4945 -0.3309 139 8 4.6216 879.2252 1143.1718 1.0165 -0.0162 140 8 2.9434 50.5368 2875.6211 5.1060 -0.8042 141 8 1.3926 -59.2792 1699.0033 1.0561 -0.0531 142 8 2.3330 -209.4158 1455.1116 1.3064 -0.2345 143 8 4.0149 804.9162 1638.7388 1.4801 -0.3244 144 8 5.4145 736.7735 661.3382 1.0572 -0.0541 145 8 6.6655 753.3461 259.7335 0.9356 0.0689 146 8 5.4146 734.1178 662.4860 1.0600 -0.0566 147 8 3.4484 799.5380 2044.8585 1.7723 -0.4358 148 8 2.3332 -221.2727 1440.8500 1.2990 -0.2302 149 8 3.3797 266.2803 1148.6485 1.2514 -0.2009 150 8 5.5438 825.4053 760.2676 1.0991 -0.0902 151 8 5.4152 730.5315 657.5674 1.0630 -0.0592 152 8 4.6231 895.1951 1116.5161 1.0091 -0.0090 153 8 2.9428 41.2863 2883.2175 5.2335 -0.8089 154 8 1.3899 -58.2855 1676.0234 1.0496 -0.0473 155 8 2.3331 -221.1049 1435.0157 1.2966 -0.2288 156 8 4.0152 802.9731 1652.1986 1.4962 -0.3317 157 8 3.4484 773.5885 2044.8756 1.7746 -0.4365 158 8 2.9434 65.4467 2915.4211 6.0464 -0.8346 159 8 3.4484 784.1630 2066.5554 1.8164 -0.4495 160 8 2.9432 41.6569 2877.0342 5.0806 -0.8032 161 8 3.4484 799.9112 2048.9176 1.7839 -0.4394 162 8 2.9442 68.6916 2923.2061 6.1122 -0.8364 163 8 2.3325 -203.4305 1432.2220 1.2897 -0.2246 164 8 1.3925 -60.7237 1687.5342 1.0570 -0.0539 165 8 2.9437 61.7017 2915.1736 6.0086 -0.8336 166 8 4.6233 893.5211 1114.5813 1.0073 -0.0072 167 8 5.4148 735.1234 663.9337 1.0604 -0.0570 168 8 4.0140 814.2464 1635.6369 1.4793 -0.3240 169 8 3.3797 286.9531 1132.9591 1.2370 -0.1916 170 8 2.3325 -205.8634 1430.5590 1.2889 -0.2241 171 8 3.4484 771.0055 2041.0628 1.7770 -0.4373 172 8 5.4152 728.4428 655.2866 1.0633 -0.0595 173 8 6.6655 753.4139 253.7328 0.9337 0.0710 174 8 5.5432 836.6720 790.0151 1.1091 -0.0983 175 8 5.5432 835.5073 799.8367 1.1152 -0.1033 176 8 4.0137 815.1894 1634.9948 1.4783 -0.3235 177 8 2.9439 61.7278 2916.4567 5.9054 -0.8307 178 8 4.0152 799.1996 1658.7946 1.5018 -0.3341 179 8 5.5437 826.3395 767.5055 1.1038 -0.0940 180 8 6.8344 509.6619 180.3896 0.9693 0.0317 181 8 7.7513 437.4025 23.7275 0.9333 0.0714 182 8 6.8345 507.5506 176.8628 0.9689 0.0321 183 8 5.4146 733.2854 643.6097 1.0573 -0.0542 184 8 4.6233 890.4655 1110.3510 1.0117 -0.0116 185 8 5.5438 831.9538 777.0389 1.1076 -0.0972 186 8 6.6659 595.6856 305.1686 1.0074 -0.0073 187 8 6.8356 508.8824 189.0144 0.9758 0.0248 188 8 5.5438 832.1962 777.6876 1.1088 -0.0981 189 8 4.0150 815.2171 1634.7301 1.4768 -0.3228 190 8 2.9435 54.8168 2930.6228 6.1797 -0.8382 191 8 4.0153 801.7308 1676.1243 1.5106 -0.3380 192 8 5.5437 827.4018 764.7057 1.0993 -0.0903 193 8 5.4152 731.5740 660.3828 1.0583 -0.0550 194 8 4.0152 811.0006 1665.9970 1.5096 -0.3376 195 8 2.3332 -204.7123 1433.8759 1.2829 -0.2205 196 8 1.3898 -56.1261 1696.9401 1.0506 -0.0482 197 8 2.9437 50.8146 2922.0872 5.9575 -0.8321 198 8 4.6234 881.8098 1102.4225 1.0089 -0.0088 199 8 4.6221 881.6859 1105.4819 1.0086 -0.0086 200 8 2.9442 42.4429 2884.7339 5.1949 -0.8075 201 8 1.3925 -54.2635 1691.8113 1.0480 -0.0458 202 8 2.3333 -206.2613 1433.7506 1.2818 -0.2199 203 8 4.0152 819.2740 1644.2750 1.4818 -0.3251 204 8 5.4149 732.3784 652.6800 1.0613 -0.0577 205 8 5.5432 824.0660 791.9800 1.1155 -0.1035 206 8 4.0140 814.6181 1632.2476 1.4748 -0.3219 207 8 2.9440 41.2354 2887.7705 5.1700 -0.8066 208 8 4.0153 811.8379 1674.2867 1.5199 -0.3421 209 8 5.5438 839.6470 768.9357 1.1019 -0.0925 210 8 6.8348 511.4661 184.8282 0.9721 0.0287 211 8 6.6652 590.6355 310.7281 1.0095 -0.0094 212 8 5.5432 821.3851 786.1519 1.1124 -0.1011 213 8 4.6220 879.7355 1098.8353 1.0056 -0.0055 214 8 5.4152 730.1755 663.8882 1.0612 -0.0577 215 8 6.8356 505.4772 180.3356 0.9725 0.0283 216 8 7.7512 438.5936 23.9462 0.9333 0.0715 =================================================================== Eliashberg Spectral Function in the Migdal Approximation =================================================================== lambda : 0.6409664 lambda_tr : 2.5316394 Estimated Allen-Dynes Tc logavg = 0.0002543 l_a2F = 0.6410451 mu = 0.10 Tc = 1.111388460343 K mu = 0.12 Tc = 0.909000809310 K mu = 0.14 Tc = 0.724947104123 K mu = 0.16 Tc = 0.560907717495 K mu = 0.18 Tc = 0.418299475261 K mu = 0.20 Tc = 0.298116520086 K a2F : 0.06s CPU 0.06s WALL ( 1 calls) Unfolding on the coarse grid elphon_wrap : 140.18s CPU 140.71s WALL ( 1 calls) INITIALIZATION: init_vloc : 0.10s CPU 0.10s WALL ( 29 calls) init_us_1 : 2.84s CPU 2.84s WALL ( 29 calls) Electron-Phonon interpolation ephwann : 2.53s CPU 2.55s WALL ( 1 calls) ep-interp : 2.19s CPU 2.20s WALL ( 216 calls) PH SELF-ENER : 0.09s CPU 0.09s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) ep: step 1 : 0.00s CPU 0.00s WALL ( 81 calls) ep: step 2 : 0.02s CPU 0.02s WALL ( 81 calls) DynW2B : 0.00s CPU 0.00s WALL ( 216 calls) HamW2B : 0.97s CPU 0.96s WALL ( 23436 calls) ephW2Bp : 0.10s CPU 0.10s WALL ( 216 calls) Total program execution EPW : 2m33.44s CPU 2m34.03s WALL