\ / | ``: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 14:48: 7 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 1 processors Reading data from directory: ./pb.save Info: using nr1, nr2, nr3 values from input Info: using nr1, nr2, nr3 values from input IMPORTANT: XC functional enforced from input : Exchange-correlation = PZ ( 1 1 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 703 703 211 12387 12387 2109 -- bravais-lattice index = 2 lattice parameter (a_0) = 9.2700 a.u. unit-cell volume = 199.1495 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 kinetic-energy cut-off = 60.0000 Ry charge density cut-off = 240.0000 Ry convergence threshold = 0.0E+00 beta = 0.0000 number of iterations used = 0 Exchange-correlation = PZ ( 1 1 0 0 0 0) celldm(1)= 9.27000 celldm(2)= 0.00000 celldm(3)= 0.00000 celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000 crystal axes: (cart. coord. in units of a_0) a(1) = ( -0.5000 0.0000 0.5000 ) a(2) = ( 0.0000 0.5000 0.5000 ) a(3) = ( -0.5000 0.5000 0.0000 ) reciprocal axes: (cart. coord. in units 2 pi/a_0) b(1) = ( -1.0000 -1.0000 1.0000 ) b(2) = ( 1.0000 1.0000 1.0000 ) b(3) = ( -1.0000 1.0000 -1.0000 ) Atoms inside the unit cell: Cartesian axes site n. atom mass positions (a_0 units) 1 Pb 207.2175 tau( 1) = ( 0.00000 0.00000 0.00000 ) 49 Sym.Ops. (with q -> -q+G ) G cutoff = 522.4094 ( 12387 G-vectors) FFT grid: ( 36, 36, 36) number of k points= 27 gaussian broad. (Ry)= 0.0200 ngauss = 1 cart. coord. in units 2pi/a_0 k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0370370 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 : 0.57s CPU 0.29s WALL EPW : 1.51s CPU 0.76s 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 1 pools 1 of 27 on ionode 2 of 27 on ionode 3 of 27 on ionode 4 of 27 on ionode 5 of 27 on ionode 6 of 27 on ionode 7 of 27 on ionode 8 of 27 on ionode 9 of 27 on ionode 10 of 27 on ionode 11 of 27 on ionode 12 of 27 on ionode 13 of 27 on ionode 14 of 27 on ionode 15 of 27 on ionode 16 of 27 on ionode 17 of 27 on ionode 18 of 27 on ionode 19 of 27 on ionode 20 of 27 on ionode 21 of 27 on ionode 22 of 27 on ionode 23 of 27 on ionode 24 of 27 on ionode 25 of 27 on ionode 26 of 27 on ionode 27 of 27 on ionode AMN calculated MMN k points = 27 in 1 pools 1 of 27 on ionode 2 of 27 on ionode 3 of 27 on ionode 4 of 27 on ionode 5 of 27 on ionode 6 of 27 on ionode 7 of 27 on ionode 8 of 27 on ionode 9 of 27 on ionode 10 of 27 on ionode 11 of 27 on ionode 12 of 27 on ionode 13 of 27 on ionode 14 of 27 on ionode 15 of 27 on ionode 16 of 27 on ionode 17 of 27 on ionode 18 of 27 on ionode 19 of 27 on ionode 20 of 27 on ionode 21 of 27 on ionode 22 of 27 on ionode 23 of 27 on ionode 24 of 27 on ionode 25 of 27 on ionode 26 of 27 on ionode 27 of 27 on ionode MMN calculated Running Wannier90 Wannier Function centers (cartesian, alat) and spreads (ang): ( 0.08272 0.08272 0.08273) : 1.60662 ( -0.08273 -0.08272 0.08271) : 1.60665 ( 0.08273 -0.08272 -0.08272) : 1.60662 ( -0.08272 0.08273 -0.08272) : 1.60666 ( -0.08273 -0.08272 0.08271) : 1.60664 ( 0.08272 0.08272 0.08273) : 1.60662 ( -0.08272 0.08273 -0.08272) : 1.60666 ( 0.08273 -0.08272 -0.08272) : 1.60662 ------------------------------------------------------------------- WANNIER : 37.02s CPU 18.57s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## kmaps : 6.24s CPU 3.12s 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: 432 Fermi energy coarse grid = 10.121992 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 = 11.669393 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 : 23328 ~= 182.25 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 = 0.292657 states/spin/eV/Unit Cell at Ef= 11.669393 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 = 0.292657 states/spin/eV/Unit Cell at Ef= 11.669393 eV ismear = 1 iq = 2 coord.: 0.00000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.2081 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2081 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4990 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 )= 0.322730 gamma= 0.001711 meV omega= 2.4010 meV lambda( 2 )= 0.322588 gamma= 0.001710 meV omega= 2.4010 meV lambda( 3 )= 0.911812 gamma= 0.009285 meV omega= 3.3280 meV lambda( tot )= 1.557130 ------------------------------------------------------------------- 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 )= -0.253578 gamma= -0.003369 meV omega= 3.8011 meV lambda( 2 )= -0.239948 gamma= -0.003187 meV omega= 3.8011 meV lambda( 3 )= 0.202303 gamma= 0.004028 meV omega= 4.6533 meV lambda( tot )= -0.291223 ------------------------------------------------------------------- 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 )= 0.259053 gamma= 0.001373 meV omega= 2.4010 meV lambda( 2 )= 0.262382 gamma= 0.001391 meV omega= 2.4010 meV lambda( 3 )= 0.864595 gamma= 0.008804 meV omega= 3.3280 meV lambda( tot )= 1.386029 ------------------------------------------------------------------- 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= -1.2081 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2081 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4990 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= -1.2081 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2081 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4990 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= -3.2680 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2680 meV lambda( 3 )= 1.168465 gamma= 0.016939 meV omega= 3.9708 meV lambda( tot )= 1.168465 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= 0.400726 gamma= 0.010763 meV omega= 5.4048 meV lambda( tot )= 0.400726 ------------------------------------------------------------------- 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 )= -1.913255 gamma= -0.013459 meV omega= 2.7661 meV lambda( 2 )= -1.388774 gamma= -0.014208 meV omega= 3.3357 meV lambda( 3 )= -0.326233 gamma= -0.009886 meV omega= 5.7411 meV lambda( tot )= -3.628261 ------------------------------------------------------------------- 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 )= 0.231788 gamma= 0.002586 meV omega= 3.4833 meV lambda( 2 )= 2.484872 gamma= 0.030631 meV omega= 3.6616 meV lambda( 3 )= -0.408850 gamma= -0.007110 meV omega= 4.3490 meV lambda( tot )= 2.307810 ------------------------------------------------------------------- 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= -2.7534 meV lambda( 2 )= 2.183277 gamma= 0.011065 meV omega= 2.3479 meV lambda( 3 )= -0.720910 gamma= -0.006041 meV omega= 3.0191 meV lambda( tot )= 1.462368 ------------------------------------------------------------------- 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 )= 0.255468 gamma= 0.001354 meV omega= 2.4010 meV lambda( 2 )= 0.266479 gamma= 0.001412 meV omega= 2.4010 meV lambda( 3 )= 0.857231 gamma= 0.008729 meV omega= 3.3280 meV lambda( tot )= 1.379178 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= 0.079173 gamma= 0.002126 meV omega= 5.4048 meV lambda( tot )= 0.079173 ------------------------------------------------------------------- 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= -4.5018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.5018 meV lambda( 3 )= 0.211783 gamma= 0.010201 meV omega= 7.2380 meV lambda( tot )= 0.211783 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.343518 gamma= 0.019220 meV omega= 7.8010 meV lambda( tot )= 0.343518 ------------------------------------------------------------------- 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 )= 0.575167 gamma= 0.004910 meV omega= 3.0471 meV lambda( 2 )= 0.145753 gamma= 0.001793 meV omega= 3.6582 meV lambda( 3 )= 0.146285 gamma= 0.005736 meV omega= 6.5304 meV lambda( tot )= 0.867205 ------------------------------------------------------------------- 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 )= 0.690586 gamma= 0.007704 meV omega= 3.4833 meV lambda( 2 )= 2.413519 gamma= 0.029752 meV omega= 3.6616 meV lambda( 3 )= -0.401641 gamma= -0.006984 meV omega= 4.3490 meV lambda( tot )= 2.702464 ------------------------------------------------------------------- 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 )= -0.383923 gamma= -0.005100 meV omega= 3.8011 meV lambda( 2 )= -0.399975 gamma= -0.005313 meV omega= 3.8011 meV lambda( 3 )= -0.743076 gamma= -0.014793 meV omega= 4.6533 meV lambda( tot )= -1.526974 ------------------------------------------------------------------- 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 )= -2.000654 gamma= -0.014073 meV omega= 2.7661 meV lambda( 2 )= -2.403286 gamma= -0.024586 meV omega= 3.3357 meV lambda( 3 )= -0.356992 gamma= -0.010818 meV omega= 5.7411 meV lambda( tot )= -4.760932 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.188015 gamma= 0.010520 meV omega= 7.8010 meV lambda( tot )= 0.188015 ------------------------------------------------------------------- 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= -4.3788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.3788 meV lambda( 3 )= 0.079844 gamma= 0.005377 meV omega= 8.5581 meV lambda( tot )= 0.079844 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.334739 gamma= 0.018729 meV omega= 7.8010 meV lambda( tot )= 0.334739 ------------------------------------------------------------------- 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 )= -2.055571 gamma= -0.014460 meV omega= 2.7661 meV lambda( 2 )= -2.934568 gamma= -0.030022 meV omega= 3.3357 meV lambda( 3 )= -0.436243 gamma= -0.013220 meV omega= 5.7411 meV lambda( tot )= -5.426382 ------------------------------------------------------------------- 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 )= 0.263301 gamma= 0.001396 meV omega= 2.4010 meV lambda( 2 )= 0.258467 gamma= 0.001370 meV omega= 2.4010 meV lambda( 3 )= 0.857155 gamma= 0.008729 meV omega= 3.3280 meV lambda( tot )= 1.378924 ------------------------------------------------------------------- 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 )= -0.028687 gamma= -0.000320 meV omega= 3.4833 meV lambda( 2 )= 1.768197 gamma= 0.021797 meV omega= 3.6616 meV lambda( 3 )= -0.347196 gamma= -0.006038 meV omega= 4.3490 meV lambda( tot )= 1.392315 ------------------------------------------------------------------- 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 )= 0.508223 gamma= 0.004339 meV omega= 3.0471 meV lambda( 2 )= 0.136530 gamma= 0.001680 meV omega= 3.6582 meV lambda( 3 )= 0.128948 gamma= 0.005056 meV omega= 6.5304 meV lambda( tot )= 0.773700 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.155591 gamma= 0.008706 meV omega= 7.8010 meV lambda( tot )= 0.155591 ------------------------------------------------------------------- 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= -4.5018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.5018 meV lambda( 3 )= 0.194821 gamma= 0.009384 meV omega= 7.2380 meV lambda( tot )= 0.194821 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= 0.194798 gamma= 0.005232 meV omega= 5.4048 meV lambda( tot )= 0.194798 ------------------------------------------------------------------- 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= -1.2081 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2081 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4990 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= -2.7534 meV lambda( 2 )= 4.491654 gamma= 0.022765 meV omega= 2.3479 meV lambda( 3 )= -0.179558 gamma= -0.001505 meV omega= 3.0191 meV lambda( tot )= 4.312096 ------------------------------------------------------------------- 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 )= 0.454413 gamma= 0.005069 meV omega= 3.4833 meV lambda( 2 )= 1.784130 gamma= 0.021993 meV omega= 3.6616 meV lambda( 3 )= -0.196070 gamma= -0.003410 meV omega= 4.3490 meV lambda( tot )= 2.042473 ------------------------------------------------------------------- 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 )= -2.657702 gamma= -0.018695 meV omega= 2.7661 meV lambda( 2 )= -2.064540 gamma= -0.021121 meV omega= 3.3357 meV lambda( 3 )= -0.461147 gamma= -0.013975 meV omega= 5.7411 meV lambda( tot )= -5.183389 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= -0.053839 gamma= -0.001446 meV omega= 5.4048 meV lambda( tot )= -0.053839 ------------------------------------------------------------------- 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= -3.2680 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2680 meV lambda( 3 )= 0.481771 gamma= 0.006984 meV omega= 3.9708 meV lambda( tot )= 0.481771 ------------------------------------------------------------------- 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= -1.2081 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2081 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4990 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= -3.2680 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2680 meV lambda( 3 )= 1.178012 gamma= 0.017077 meV omega= 3.9708 meV lambda( tot )= 1.178012 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= 0.141450 gamma= 0.003799 meV omega= 5.4048 meV lambda( tot )= 0.141450 ------------------------------------------------------------------- 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 )= -1.746990 gamma= -0.012289 meV omega= 2.7661 meV lambda( 2 )= -2.768977 gamma= -0.028328 meV omega= 3.3357 meV lambda( 3 )= -0.378515 gamma= -0.011471 meV omega= 5.7411 meV lambda( tot )= -4.894482 ------------------------------------------------------------------- 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 )= 0.631006 gamma= 0.007039 meV omega= 3.4833 meV lambda( 2 )= 2.843261 gamma= 0.035049 meV omega= 3.6616 meV lambda( 3 )= 0.214154 gamma= 0.003724 meV omega= 4.3490 meV lambda( tot )= 3.688421 ------------------------------------------------------------------- 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= -2.7534 meV lambda( 2 )= 3.099770 gamma= 0.015710 meV omega= 2.3479 meV lambda( 3 )= -0.749554 gamma= -0.006282 meV omega= 3.0191 meV lambda( tot )= 2.350215 ------------------------------------------------------------------- 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= -3.2680 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2680 meV lambda( 3 )= 1.452779 gamma= 0.021061 meV omega= 3.9708 meV lambda( tot )= 1.452779 ------------------------------------------------------------------- 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= -1.2081 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2081 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4990 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= -2.7534 meV lambda( 2 )= 3.846642 gamma= 0.019496 meV omega= 2.3479 meV lambda( 3 )= -0.016728 gamma= -0.000140 meV omega= 3.0191 meV lambda( tot )= 3.829913 ------------------------------------------------------------------- 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 )= -0.034487 gamma= -0.000385 meV omega= 3.4833 meV lambda( 2 )= 1.582140 gamma= 0.019503 meV omega= 3.6616 meV lambda( 3 )= -0.544535 gamma= -0.009469 meV omega= 4.3490 meV lambda( tot )= 1.003118 ------------------------------------------------------------------- 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 )= -1.880018 gamma= -0.013225 meV omega= 2.7661 meV lambda( 2 )= -2.084356 gamma= -0.021324 meV omega= 3.3357 meV lambda( 3 )= -0.545609 gamma= -0.016534 meV omega= 5.7411 meV lambda( tot )= -4.509983 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= -0.186493 gamma= -0.005009 meV omega= 5.4048 meV lambda( tot )= -0.186493 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= -0.190838 gamma= -0.005125 meV omega= 5.4048 meV lambda( tot )= -0.190838 ------------------------------------------------------------------- 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= -2.7534 meV lambda( 2 )= 3.168210 gamma= 0.016057 meV omega= 2.3479 meV lambda( 3 )= -0.568567 gamma= -0.004765 meV omega= 3.0191 meV lambda( tot )= 2.599643 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= 0.189157 gamma= 0.005080 meV omega= 5.4048 meV lambda( tot )= 0.189157 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -7.874135 gamma= -0.025944 meV omega= 1.8931 meV lambda( 3 )= -0.168117 gamma= -0.006440 meV omega= 6.4547 meV lambda( tot )= -8.042252 ------------------------------------------------------------------- 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 )= -232.862289 gamma= -0.168430 meV omega= 0.8870 meV lambda( 2 )= -0.588433 gamma= -0.017100 meV omega= 5.6221 meV lambda( 3 )= 0.256005 gamma= 0.007748 meV omega= 5.7375 meV lambda( tot )= -233.194717 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -23.176752 gamma= -0.076365 meV omega= 1.8931 meV lambda( 3 )= -0.316036 gamma= -0.012106 meV omega= 6.4547 meV lambda( tot )= -23.492788 ------------------------------------------------------------------- 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 )= -2.435229 gamma= -0.017130 meV omega= 2.7661 meV lambda( 2 )= -2.591005 gamma= -0.026507 meV omega= 3.3357 meV lambda( 3 )= -0.516009 gamma= -0.015637 meV omega= 5.7411 meV lambda( tot )= -5.542243 ------------------------------------------------------------------- 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 )= 0.753000 gamma= 0.008400 meV omega= 3.4833 meV lambda( 2 )= 2.353816 gamma= 0.029016 meV omega= 3.6616 meV lambda( 3 )= -0.100564 gamma= -0.001749 meV omega= 4.3490 meV lambda( tot )= 3.006252 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -13.154431 gamma= -0.043342 meV omega= 1.8931 meV lambda( 3 )= -0.273802 gamma= -0.010488 meV omega= 6.4547 meV lambda( tot )= -13.428233 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.311555 gamma= 0.017432 meV omega= 7.8010 meV lambda( tot )= 0.311555 ------------------------------------------------------------------- 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= -2.8477 meV lambda( 2 )= -2.594902 gamma= -0.027796 meV omega= 3.4133 meV lambda( 3 )= -0.563710 gamma= -0.029987 meV omega= 7.6065 meV lambda( tot )= -3.158612 ------------------------------------------------------------------- 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 )= -218.577703 gamma= -0.158098 meV omega= 0.8870 meV lambda( 2 )= -0.635976 gamma= -0.018482 meV omega= 5.6221 meV lambda( 3 )= 0.339643 gamma= 0.010279 meV omega= 5.7375 meV lambda( tot )= -218.874037 ------------------------------------------------------------------- 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 )= 0.461135 gamma= 0.005144 meV omega= 3.4833 meV lambda( 2 )= 1.746039 gamma= 0.021523 meV omega= 3.6616 meV lambda( 3 )= -0.567483 gamma= -0.009868 meV omega= 4.3490 meV lambda( tot )= 1.639691 ------------------------------------------------------------------- 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 )= -1.660452 gamma= -0.011680 meV omega= 2.7661 meV lambda( 2 )= -2.269921 gamma= -0.023222 meV omega= 3.3357 meV lambda( 3 )= -0.401807 gamma= -0.012176 meV omega= 5.7411 meV lambda( tot )= -4.332179 ------------------------------------------------------------------- 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 )= -212.105571 gamma= -0.153417 meV omega= 0.8870 meV lambda( 2 )= -0.744815 gamma= -0.021645 meV omega= 5.6221 meV lambda( 3 )= 0.238645 gamma= 0.007223 meV omega= 5.7375 meV lambda( tot )= -212.611742 ------------------------------------------------------------------- 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= -2.8477 meV lambda( 2 )= -3.525965 gamma= -0.037769 meV omega= 3.4133 meV lambda( 3 )= -0.471449 gamma= -0.025079 meV omega= 7.6065 meV lambda( tot )= -3.997414 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.260593 gamma= 0.014581 meV omega= 7.8010 meV lambda( tot )= 0.260593 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -11.654923 gamma= -0.038402 meV omega= 1.8931 meV lambda( 3 )= -0.179951 gamma= -0.006893 meV omega= 6.4547 meV lambda( tot )= -11.834874 ------------------------------------------------------------------- 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= -2.7534 meV lambda( 2 )= 5.139330 gamma= 0.026047 meV omega= 2.3479 meV lambda( 3 )= -0.302843 gamma= -0.002538 meV omega= 3.0191 meV lambda( tot )= 4.836487 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= 0.051515 gamma= 0.001384 meV omega= 5.4048 meV lambda( tot )= 0.051515 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -15.939356 gamma= -0.052518 meV omega= 1.8931 meV lambda( 3 )= -0.080422 gamma= -0.003081 meV omega= 6.4547 meV lambda( tot )= -16.019779 ------------------------------------------------------------------- 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 )= -217.101545 gamma= -0.157031 meV omega= 0.8870 meV lambda( 2 )= -0.733187 gamma= -0.021307 meV omega= 5.6221 meV lambda( 3 )= 0.217304 gamma= 0.006577 meV omega= 5.7375 meV lambda( tot )= -217.617429 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -18.662356 gamma= -0.061490 meV omega= 1.8931 meV lambda( 3 )= -0.260015 gamma= -0.009960 meV omega= 6.4547 meV lambda( tot )= -18.922371 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= -0.050703 gamma= -0.001362 meV omega= 5.4048 meV lambda( tot )= -0.050703 ------------------------------------------------------------------- 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 )= 0.280695 gamma= 0.001488 meV omega= 2.4010 meV lambda( 2 )= 0.271653 gamma= 0.001440 meV omega= 2.4010 meV lambda( 3 )= 0.875444 gamma= 0.008915 meV omega= 3.3280 meV lambda( tot )= 1.427792 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= -0.034559 gamma= -0.000928 meV omega= 5.4048 meV lambda( tot )= -0.034559 ------------------------------------------------------------------- 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= -4.5018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.5018 meV lambda( 3 )= 0.199690 gamma= 0.009618 meV omega= 7.2380 meV lambda( tot )= 0.199690 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.296481 gamma= 0.016589 meV omega= 7.8010 meV lambda( tot )= 0.296481 ------------------------------------------------------------------- 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 )= 0.552622 gamma= 0.004718 meV omega= 3.0471 meV lambda( 2 )= 0.133912 gamma= 0.001648 meV omega= 3.6582 meV lambda( 3 )= 0.131505 gamma= 0.005156 meV omega= 6.5304 meV lambda( tot )= 0.818039 ------------------------------------------------------------------- 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 )= 0.715269 gamma= 0.007979 meV omega= 3.4833 meV lambda( 2 )= 2.134817 gamma= 0.026316 meV omega= 3.6616 meV lambda( 3 )= -0.400717 gamma= -0.006968 meV omega= 4.3490 meV lambda( tot )= 2.449369 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= 0.133066 gamma= 0.003574 meV omega= 5.4048 meV lambda( tot )= 0.133066 ------------------------------------------------------------------- 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= -2.7534 meV lambda( 2 )= 2.331150 gamma= 0.011815 meV omega= 2.3479 meV lambda( 3 )= -0.505673 gamma= -0.004238 meV omega= 3.0191 meV lambda( tot )= 1.825477 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= 0.057641 gamma= 0.001548 meV omega= 5.4048 meV lambda( tot )= 0.057641 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -16.382202 gamma= -0.053978 meV omega= 1.8931 meV lambda( 3 )= -0.305367 gamma= -0.011697 meV omega= 6.4547 meV lambda( tot )= -16.687569 ------------------------------------------------------------------- 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 )= -246.303448 gamma= -0.178152 meV omega= 0.8870 meV lambda( 2 )= -0.699862 gamma= -0.020338 meV omega= 5.6221 meV lambda( 3 )= 0.302553 gamma= 0.009157 meV omega= 5.7375 meV lambda( tot )= -246.700758 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -9.748871 gamma= -0.032121 meV omega= 1.8931 meV lambda( 3 )= -0.309725 gamma= -0.011864 meV omega= 6.4547 meV lambda( tot )= -10.058596 ------------------------------------------------------------------- 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= -4.5018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.5018 meV lambda( 3 )= 0.196158 gamma= 0.009448 meV omega= 7.2380 meV lambda( tot )= 0.196158 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= 0.130459 gamma= 0.003504 meV omega= 5.4048 meV lambda( tot )= 0.130459 ------------------------------------------------------------------- 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 )= 0.291117 gamma= 0.001543 meV omega= 2.4010 meV lambda( 2 )= 0.291848 gamma= 0.001547 meV omega= 2.4010 meV lambda( 3 )= 0.886089 gamma= 0.009023 meV omega= 3.3280 meV lambda( tot )= 1.469055 ------------------------------------------------------------------- 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 )= 0.013736 gamma= 0.000153 meV omega= 3.4833 meV lambda( 2 )= 1.876011 gamma= 0.023126 meV omega= 3.6616 meV lambda( 3 )= -0.179158 gamma= -0.003116 meV omega= 4.3490 meV lambda( tot )= 1.710590 ------------------------------------------------------------------- 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 )= 0.529185 gamma= 0.004518 meV omega= 3.0471 meV lambda( 2 )= 0.133643 gamma= 0.001644 meV omega= 3.6582 meV lambda( 3 )= 0.128180 gamma= 0.005026 meV omega= 6.5304 meV lambda( tot )= 0.791008 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.275065 gamma= 0.015390 meV omega= 7.8010 meV lambda( tot )= 0.275065 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.258904 gamma= 0.014486 meV omega= 7.8010 meV lambda( tot )= 0.258904 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -14.886718 gamma= -0.049050 meV omega= 1.8931 meV lambda( 3 )= -0.264357 gamma= -0.010126 meV omega= 6.4547 meV lambda( tot )= -15.151075 ------------------------------------------------------------------- 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 )= 0.394465 gamma= 0.004401 meV omega= 3.4833 meV lambda( 2 )= 2.005335 gamma= 0.024720 meV omega= 3.6616 meV lambda( 3 )= -0.542273 gamma= -0.009430 meV omega= 4.3490 meV lambda( tot )= 1.857528 ------------------------------------------------------------------- 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 )= -2.518698 gamma= -0.017718 meV omega= 2.7661 meV lambda( 2 )= -1.658056 gamma= -0.016962 meV omega= 3.3357 meV lambda( 3 )= -0.346383 gamma= -0.010497 meV omega= 5.7411 meV lambda( tot )= -4.523137 ------------------------------------------------------------------- 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 )= -211.245225 gamma= -0.152795 meV omega= 0.8870 meV lambda( 2 )= -0.706440 gamma= -0.020530 meV omega= 5.6221 meV lambda( 3 )= 0.264495 gamma= 0.008005 meV omega= 5.7375 meV lambda( tot )= -211.687170 ------------------------------------------------------------------- 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= -2.8477 meV lambda( 2 )= -6.119785 gamma= -0.065554 meV omega= 3.4133 meV lambda( 3 )= -0.568088 gamma= -0.030220 meV omega= 7.6065 meV lambda( tot )= -6.687873 ------------------------------------------------------------------- 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 )= 0.528988 gamma= 0.004516 meV omega= 3.0471 meV lambda( 2 )= 0.133241 gamma= 0.001639 meV omega= 3.6582 meV lambda( 3 )= 0.128190 gamma= 0.005026 meV omega= 6.5304 meV lambda( tot )= 0.790418 ------------------------------------------------------------------- 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 )= -237.884139 gamma= -0.172063 meV omega= 0.8870 meV lambda( 2 )= -0.736025 gamma= -0.021389 meV omega= 5.6221 meV lambda( 3 )= 0.279085 gamma= 0.008447 meV omega= 5.7375 meV lambda( tot )= -238.341079 ------------------------------------------------------------------- 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 )= 0.552638 gamma= 0.004718 meV omega= 3.0471 meV lambda( 2 )= 0.133468 gamma= 0.001642 meV omega= 3.6582 meV lambda( 3 )= 0.131480 gamma= 0.005155 meV omega= 6.5304 meV lambda( tot )= 0.817587 ------------------------------------------------------------------- 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 )= -228.560331 gamma= -0.165319 meV omega= 0.8870 meV lambda( 2 )= -0.566579 gamma= -0.016465 meV omega= 5.6221 meV lambda( 3 )= 0.198349 gamma= 0.006003 meV omega= 5.7375 meV lambda( tot )= -228.928562 ------------------------------------------------------------------- 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 )= 0.541267 gamma= 0.004621 meV omega= 3.0471 meV lambda( 2 )= 0.141256 gamma= 0.001738 meV omega= 3.6582 meV lambda( 3 )= 0.137482 gamma= 0.005391 meV omega= 6.5304 meV lambda( tot )= 0.820005 ------------------------------------------------------------------- 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 )= -185.266441 gamma= -0.134004 meV omega= 0.8870 meV lambda( 2 )= -0.716713 gamma= -0.020828 meV omega= 5.6221 meV lambda( 3 )= 0.227626 gamma= 0.006889 meV omega= 5.7375 meV lambda( tot )= -185.755528 ------------------------------------------------------------------- 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 )= 0.123084 gamma= 0.001373 meV omega= 3.4833 meV lambda( 2 )= 2.043691 gamma= 0.025193 meV omega= 3.6616 meV lambda( 3 )= 0.107510 gamma= 0.001870 meV omega= 4.3490 meV lambda( tot )= 2.274286 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -14.766109 gamma= -0.048653 meV omega= 1.8931 meV lambda( 3 )= -0.251472 gamma= -0.009633 meV omega= 6.4547 meV lambda( tot )= -15.017581 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.249466 gamma= 0.013958 meV omega= 7.8010 meV lambda( tot )= 0.249466 ------------------------------------------------------------------- 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= -2.8477 meV lambda( 2 )= -3.547670 gamma= -0.038002 meV omega= 3.4133 meV lambda( 3 )= -0.639997 gamma= -0.034045 meV omega= 7.6065 meV lambda( tot )= -4.187667 ------------------------------------------------------------------- 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 )= -229.759638 gamma= -0.166186 meV omega= 0.8870 meV lambda( 2 )= -0.582659 gamma= -0.016932 meV omega= 5.6221 meV lambda( 3 )= 0.297166 gamma= 0.008994 meV omega= 5.7375 meV lambda( tot )= -230.045132 ------------------------------------------------------------------- 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 )= -3.008806 gamma= -0.021165 meV omega= 2.7661 meV lambda( 2 )= -3.194414 gamma= -0.032680 meV omega= 3.3357 meV lambda( 3 )= -0.421387 gamma= -0.012770 meV omega= 5.7411 meV lambda( tot )= -6.624608 ------------------------------------------------------------------- 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 )= -0.004712 gamma= -0.000063 meV omega= 3.8011 meV lambda( 2 )= -0.620553 gamma= -0.008243 meV omega= 3.8011 meV lambda( 3 )= -0.302296 gamma= -0.006018 meV omega= 4.6533 meV lambda( tot )= -0.927562 ------------------------------------------------------------------- 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 )= -2.095649 gamma= -0.014742 meV omega= 2.7661 meV lambda( 2 )= -2.555167 gamma= -0.026140 meV omega= 3.3357 meV lambda( 3 )= -0.457101 gamma= -0.013852 meV omega= 5.7411 meV lambda( tot )= -5.107916 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.200925 gamma= 0.011242 meV omega= 7.8010 meV lambda( tot )= 0.200925 ------------------------------------------------------------------- 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= -4.3788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.3788 meV lambda( 3 )= 0.068387 gamma= 0.004605 meV omega= 8.5581 meV lambda( tot )= 0.068387 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.335138 gamma= 0.018751 meV omega= 7.8010 meV lambda( tot )= 0.335138 ------------------------------------------------------------------- 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 )= -2.486129 gamma= -0.017488 meV omega= 2.7661 meV lambda( 2 )= -1.924440 gamma= -0.019688 meV omega= 3.3357 meV lambda( 3 )= -0.586328 gamma= -0.017768 meV omega= 5.7411 meV lambda( tot )= -4.996898 ------------------------------------------------------------------- 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 )= -2.203232 gamma= -0.015498 meV omega= 2.7661 meV lambda( 2 )= -2.152331 gamma= -0.022019 meV omega= 3.3357 meV lambda( 3 )= -0.471298 gamma= -0.014282 meV omega= 5.7411 meV lambda( tot )= -4.826861 ------------------------------------------------------------------- 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 )= 0.462788 gamma= 0.005163 meV omega= 3.4833 meV lambda( 2 )= 2.236798 gamma= 0.027573 meV omega= 3.6616 meV lambda( 3 )= -0.359056 gamma= -0.006244 meV omega= 4.3490 meV lambda( tot )= 2.340529 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -20.700033 gamma= -0.068204 meV omega= 1.8931 meV lambda( 3 )= -0.311437 gamma= -0.011930 meV omega= 6.4547 meV lambda( tot )= -21.011470 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.231202 gamma= 0.012936 meV omega= 7.8010 meV lambda( tot )= 0.231202 ------------------------------------------------------------------- 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= -2.8477 meV lambda( 2 )= -4.228798 gamma= -0.045298 meV omega= 3.4133 meV lambda( 3 )= -0.585727 gamma= -0.031158 meV omega= 7.6065 meV lambda( tot )= -4.814525 ------------------------------------------------------------------- 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 )= -248.927388 gamma= -0.180050 meV omega= 0.8870 meV lambda( 2 )= -0.566448 gamma= -0.016461 meV omega= 5.6221 meV lambda( 3 )= 0.275788 gamma= 0.008347 meV omega= 5.7375 meV lambda( tot )= -249.218047 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.340790 gamma= 0.019068 meV omega= 7.8010 meV lambda( tot )= 0.340790 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -14.006765 gamma= -0.046151 meV omega= 1.8931 meV lambda( 3 )= -0.289087 gamma= -0.011073 meV omega= 6.4547 meV lambda( tot )= -14.295852 ------------------------------------------------------------------- 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 )= 0.696852 gamma= 0.007774 meV omega= 3.4833 meV lambda( 2 )= 2.377053 gamma= 0.029302 meV omega= 3.6616 meV lambda( 3 )= -0.495731 gamma= -0.008621 meV omega= 4.3490 meV lambda( tot )= 2.578175 ------------------------------------------------------------------- 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 )= -2.713635 gamma= -0.019089 meV omega= 2.7661 meV lambda( 2 )= -2.420536 gamma= -0.024763 meV omega= 3.3357 meV lambda( 3 )= -0.388636 gamma= -0.011777 meV omega= 5.7411 meV lambda( tot )= -5.522806 ------------------------------------------------------------------- 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 )= -224.844984 gamma= -0.162631 meV omega= 0.8870 meV lambda( 2 )= -0.824690 gamma= -0.023966 meV omega= 5.6221 meV lambda( 3 )= 0.223781 gamma= 0.006773 meV omega= 5.7375 meV lambda( tot )= -225.445893 ------------------------------------------------------------------- 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= -2.8477 meV lambda( 2 )= -4.354510 gamma= -0.046645 meV omega= 3.4133 meV lambda( 3 )= -0.544581 gamma= -0.028969 meV omega= 7.6065 meV lambda( tot )= -4.899091 ------------------------------------------------------------------- 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= -4.3788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.3788 meV lambda( 3 )= 0.063876 gamma= 0.004301 meV omega= 8.5581 meV lambda( tot )= 0.063876 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.329088 gamma= 0.018413 meV omega= 7.8010 meV lambda( tot )= 0.329088 ------------------------------------------------------------------- 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 )= -1.485733 gamma= -0.010451 meV omega= 2.7661 meV lambda( 2 )= -2.149159 gamma= -0.021987 meV omega= 3.3357 meV lambda( 3 )= -0.431381 gamma= -0.013073 meV omega= 5.7411 meV lambda( tot )= -4.066273 ------------------------------------------------------------------- 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 )= -0.087715 gamma= -0.001165 meV omega= 3.8011 meV lambda( 2 )= -0.554943 gamma= -0.007372 meV omega= 3.8011 meV lambda( 3 )= 0.041804 gamma= 0.000832 meV omega= 4.6533 meV lambda( tot )= -0.600855 ------------------------------------------------------------------- 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 )= -2.495920 gamma= -0.017557 meV omega= 2.7661 meV lambda( 2 )= -2.745941 gamma= -0.028092 meV omega= 3.3357 meV lambda( 3 )= -0.414836 gamma= -0.012571 meV omega= 5.7411 meV lambda( tot )= -5.656696 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.192486 gamma= 0.010770 meV omega= 7.8010 meV lambda( tot )= 0.192486 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.205578 gamma= 0.011502 meV omega= 7.8010 meV lambda( tot )= 0.205578 ------------------------------------------------------------------- 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= -2.8477 meV lambda( 2 )= -4.110373 gamma= -0.044030 meV omega= 3.4133 meV lambda( 3 )= -0.584311 gamma= -0.031083 meV omega= 7.6065 meV lambda( tot )= -4.694684 ------------------------------------------------------------------- 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 )= -250.908505 gamma= -0.181483 meV omega= 0.8870 meV lambda( 2 )= -0.512814 gamma= -0.014903 meV omega= 5.6221 meV lambda( 3 )= 0.287743 gamma= 0.008709 meV omega= 5.7375 meV lambda( tot )= -251.133575 ------------------------------------------------------------------- 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 )= -1.582124 gamma= -0.011129 meV omega= 2.7661 meV lambda( 2 )= -1.907735 gamma= -0.019517 meV omega= 3.3357 meV lambda( 3 )= -0.460539 gamma= -0.013956 meV omega= 5.7411 meV lambda( tot )= -3.950398 ------------------------------------------------------------------- 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 )= 0.146624 gamma= 0.001636 meV omega= 3.4833 meV lambda( 2 )= 1.915278 gamma= 0.023610 meV omega= 3.6616 meV lambda( 3 )= -0.274066 gamma= -0.004766 meV omega= 4.3490 meV lambda( tot )= 1.787836 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -19.494334 gamma= -0.064232 meV omega= 1.8931 meV lambda( 3 )= -0.183703 gamma= -0.007037 meV omega= 6.4547 meV lambda( tot )= -19.678037 ------------------------------------------------------------------- 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 )= -2.732742 gamma= -0.019223 meV omega= 2.7661 meV lambda( 2 )= -2.838277 gamma= -0.029037 meV omega= 3.3357 meV lambda( 3 )= -0.299937 gamma= -0.009089 meV omega= 5.7411 meV lambda( tot )= -5.870956 ------------------------------------------------------------------- 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 )= -223.756547 gamma= -0.161844 meV omega= 0.8870 meV lambda( 2 )= -0.838915 gamma= -0.024379 meV omega= 5.6221 meV lambda( 3 )= 0.244405 gamma= 0.007397 meV omega= 5.7375 meV lambda( tot )= -224.351056 ------------------------------------------------------------------- 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= -2.8477 meV lambda( 2 )= -4.865950 gamma= -0.052123 meV omega= 3.4133 meV lambda( 3 )= -0.596381 gamma= -0.031725 meV omega= 7.6065 meV lambda( tot )= -5.462332 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.353752 gamma= 0.019793 meV omega= 7.8010 meV lambda( tot )= 0.353752 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -10.504421 gamma= -0.034611 meV omega= 1.8931 meV lambda( 3 )= -0.365175 gamma= -0.013988 meV omega= 6.4547 meV lambda( tot )= -10.869595 ------------------------------------------------------------------- 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 )= 0.911879 gamma= 0.010173 meV omega= 3.4833 meV lambda( 2 )= 2.198478 gamma= 0.027101 meV omega= 3.6616 meV lambda( 3 )= -0.178431 gamma= -0.003103 meV omega= 4.3490 meV lambda( tot )= 2.931926 ------------------------------------------------------------------- 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 )= 0.262065 gamma= 0.001389 meV omega= 2.4010 meV lambda( 2 )= 0.260230 gamma= 0.001379 meV omega= 2.4010 meV lambda( 3 )= 0.860677 gamma= 0.008764 meV omega= 3.3280 meV lambda( tot )= 1.382973 ------------------------------------------------------------------- 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 )= 0.690025 gamma= 0.007698 meV omega= 3.4833 meV lambda( 2 )= 1.960325 gamma= 0.024165 meV omega= 3.6616 meV lambda( 3 )= -0.599117 gamma= -0.010419 meV omega= 4.3490 meV lambda( tot )= 2.051233 ------------------------------------------------------------------- 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 )= 0.538581 gamma= 0.004598 meV omega= 3.0471 meV lambda( 2 )= 0.137645 gamma= 0.001694 meV omega= 3.6582 meV lambda( 3 )= 0.133228 gamma= 0.005224 meV omega= 6.5304 meV lambda( tot )= 0.809454 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.266959 gamma= 0.014937 meV omega= 7.8010 meV lambda( tot )= 0.266959 ------------------------------------------------------------------- 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= -4.5018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.5018 meV lambda( 3 )= 0.199670 gamma= 0.009617 meV omega= 7.2380 meV lambda( tot )= 0.199670 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= -0.121565 gamma= -0.003265 meV omega= 5.4048 meV lambda( tot )= -0.121565 ------------------------------------------------------------------- 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 )= 0.517144 gamma= 0.005769 meV omega= 3.4833 meV lambda( 2 )= 2.166159 gamma= 0.026702 meV omega= 3.6616 meV lambda( 3 )= -0.246347 gamma= -0.004284 meV omega= 4.3490 meV lambda( tot )= 2.436956 ------------------------------------------------------------------- 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 )= -1.336963 gamma= -0.009405 meV omega= 2.7661 meV lambda( 2 )= -1.889144 gamma= -0.019327 meV omega= 3.3357 meV lambda( 3 )= -0.458199 gamma= -0.013885 meV omega= 5.7411 meV lambda( tot )= -3.684305 ------------------------------------------------------------------- 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 )= -242.194784 gamma= -0.175181 meV omega= 0.8870 meV lambda( 2 )= -0.744597 gamma= -0.021639 meV omega= 5.6221 meV lambda( 3 )= 0.223653 gamma= 0.006769 meV omega= 5.7375 meV lambda( tot )= -242.715727 ------------------------------------------------------------------- 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= -2.8477 meV lambda( 2 )= -4.426090 gamma= -0.047411 meV omega= 3.4133 meV lambda( 3 )= -0.608798 gamma= -0.032385 meV omega= 7.6065 meV lambda( tot )= -5.034888 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.222489 gamma= 0.012449 meV omega= 7.8010 meV lambda( tot )= 0.222489 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -20.874124 gamma= -0.068778 meV omega= 1.8931 meV lambda( 3 )= -0.288009 gamma= -0.011032 meV omega= 6.4547 meV lambda( tot )= -21.162132 ------------------------------------------------------------------- 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 )= 0.563004 gamma= 0.004806 meV omega= 3.0471 meV lambda( 2 )= 0.138215 gamma= 0.001701 meV omega= 3.6582 meV lambda( 3 )= 0.136642 gamma= 0.005358 meV omega= 6.5304 meV lambda( tot )= 0.837860 ------------------------------------------------------------------- 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 )= -273.007787 gamma= -0.197468 meV omega= 0.8870 meV lambda( 2 )= -0.545615 gamma= -0.015856 meV omega= 5.6221 meV lambda( 3 )= 0.242084 gamma= 0.007327 meV omega= 5.7375 meV lambda( tot )= -273.311317 ------------------------------------------------------------------- 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 )= 0.540922 gamma= 0.004618 meV omega= 3.0471 meV lambda( 2 )= 0.140872 gamma= 0.001733 meV omega= 3.6582 meV lambda( 3 )= 0.137451 gamma= 0.005389 meV omega= 6.5304 meV lambda( tot )= 0.819245 ------------------------------------------------------------------- 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 )= -239.851726 gamma= -0.173486 meV omega= 0.8870 meV lambda( 2 )= -0.709980 gamma= -0.020633 meV omega= 5.6221 meV lambda( 3 )= 0.235060 gamma= 0.007114 meV omega= 5.7375 meV lambda( tot )= -240.326645 ------------------------------------------------------------------- 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 )= 0.538684 gamma= 0.004599 meV omega= 3.0471 meV lambda( 2 )= 0.138053 gamma= 0.001699 meV omega= 3.6582 meV lambda( 3 )= 0.133218 gamma= 0.005223 meV omega= 6.5304 meV lambda( tot )= 0.809955 ------------------------------------------------------------------- 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 )= -233.402881 gamma= -0.168821 meV omega= 0.8870 meV lambda( 2 )= -0.739671 gamma= -0.021495 meV omega= 5.6221 meV lambda( 3 )= 0.276639 gamma= 0.008373 meV omega= 5.7375 meV lambda( tot )= -233.865913 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.312863 gamma= 0.017505 meV omega= 7.8010 meV lambda( tot )= 0.312863 ------------------------------------------------------------------- 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= -2.8477 meV lambda( 2 )= -3.077399 gamma= -0.032965 meV omega= 3.4133 meV lambda( 3 )= -0.761260 gamma= -0.040495 meV omega= 7.6065 meV lambda( tot )= -3.838659 ------------------------------------------------------------------- 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 )= -264.309441 gamma= -0.191176 meV omega= 0.8870 meV lambda( 2 )= -0.585578 gamma= -0.017017 meV omega= 5.6221 meV lambda( 3 )= 0.222635 gamma= 0.006738 meV omega= 5.7375 meV lambda( tot )= -264.672384 ------------------------------------------------------------------- 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 )= -1.463746 gamma= -0.010297 meV omega= 2.7661 meV lambda( 2 )= -2.249094 gamma= -0.023009 meV omega= 3.3357 meV lambda( 3 )= -0.548253 gamma= -0.016614 meV omega= 5.7411 meV lambda( tot )= -4.261093 ------------------------------------------------------------------- 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 )= 0.734180 gamma= 0.008190 meV omega= 3.4833 meV lambda( 2 )= 2.408911 gamma= 0.029695 meV omega= 3.6616 meV lambda( 3 )= -0.068926 gamma= -0.001199 meV omega= 4.3490 meV lambda( tot )= 3.074165 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -18.208388 gamma= -0.059995 meV omega= 1.8931 meV lambda( 3 )= -0.265799 gamma= -0.010181 meV omega= 6.4547 meV lambda( tot )= -18.474187 ------------------------------------------------------------------- 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= -4.5018 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.5018 meV lambda( 3 )= 0.196165 gamma= 0.009448 meV omega= 7.2380 meV lambda( tot )= 0.196165 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.310430 gamma= 0.017369 meV omega= 7.8010 meV lambda( tot )= 0.310430 ------------------------------------------------------------------- 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 )= 0.562602 gamma= 0.004803 meV omega= 3.0471 meV lambda( 2 )= 0.137764 gamma= 0.001695 meV omega= 3.6582 meV lambda( 3 )= 0.136621 gamma= 0.005357 meV omega= 6.5304 meV lambda( tot )= 0.836987 ------------------------------------------------------------------- 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 )= 0.388423 gamma= 0.004333 meV omega= 3.4833 meV lambda( 2 )= 2.191222 gamma= 0.027011 meV omega= 3.6616 meV lambda( 3 )= -0.226378 gamma= -0.003937 meV omega= 4.3490 meV lambda( tot )= 2.353267 ------------------------------------------------------------------- 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 )= 0.270757 gamma= 0.001435 meV omega= 2.4010 meV lambda( 2 )= 0.281835 gamma= 0.001494 meV omega= 2.4010 meV lambda( 3 )= 0.875155 gamma= 0.008912 meV omega= 3.3280 meV lambda( tot )= 1.427747 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= -0.135986 gamma= -0.003652 meV omega= 5.4048 meV lambda( tot )= -0.135986 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= -0.074922 gamma= -0.002012 meV omega= 5.4048 meV lambda( tot )= -0.074922 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -23.150747 gamma= -0.076279 meV omega= 1.8931 meV lambda( 3 )= -0.229409 gamma= -0.008787 meV omega= 6.4547 meV lambda( tot )= -23.380156 ------------------------------------------------------------------- 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 )= -239.624435 gamma= -0.173322 meV omega= 0.8870 meV lambda( 2 )= -0.714513 gamma= -0.020764 meV omega= 5.6221 meV lambda( 3 )= 0.286887 gamma= 0.008683 meV omega= 5.7375 meV lambda( tot )= -240.052061 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -16.517629 gamma= -0.054424 meV omega= 1.8931 meV lambda( 3 )= -0.227209 gamma= -0.008703 meV omega= 6.4547 meV lambda( tot )= -16.744839 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= -0.048480 gamma= -0.001302 meV omega= 5.4048 meV lambda( tot )= -0.048480 ------------------------------------------------------------------- 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= -2.7534 meV lambda( 2 )= 2.561714 gamma= 0.012983 meV omega= 2.3479 meV lambda( 3 )= -0.680057 gamma= -0.005699 meV omega= 3.0191 meV lambda( tot )= 1.881657 ------------------------------------------------------------------- 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= -1.2081 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2081 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4990 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= -2.7534 meV lambda( 2 )= 2.675742 gamma= 0.013561 meV omega= 2.3479 meV lambda( 3 )= -0.409821 gamma= -0.003434 meV omega= 3.0191 meV lambda( tot )= 2.265921 ------------------------------------------------------------------- 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 )= 0.099960 gamma= 0.001115 meV omega= 3.4833 meV lambda( 2 )= 1.590194 gamma= 0.019602 meV omega= 3.6616 meV lambda( 3 )= -0.307969 gamma= -0.005356 meV omega= 4.3490 meV lambda( tot )= 1.382186 ------------------------------------------------------------------- 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 )= -2.174488 gamma= -0.015296 meV omega= 2.7661 meV lambda( 2 )= -1.715303 gamma= -0.017548 meV omega= 3.3357 meV lambda( 3 )= -0.459070 gamma= -0.013912 meV omega= 5.7411 meV lambda( tot )= -4.348861 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= 0.062031 gamma= 0.001666 meV omega= 5.4048 meV lambda( tot )= 0.062031 ------------------------------------------------------------------- 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= -3.2680 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2680 meV lambda( 3 )= 1.222809 gamma= 0.017727 meV omega= 3.9708 meV lambda( tot )= 1.222809 ------------------------------------------------------------------- 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= -2.7534 meV lambda( 2 )= 2.697088 gamma= 0.013669 meV omega= 2.3479 meV lambda( 3 )= -0.541408 gamma= -0.004537 meV omega= 3.0191 meV lambda( tot )= 2.155680 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= 0.205632 gamma= 0.005523 meV omega= 5.4048 meV lambda( tot )= 0.205632 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -10.393933 gamma= -0.034247 meV omega= 1.8931 meV lambda( 3 )= -0.346949 gamma= -0.013290 meV omega= 6.4547 meV lambda( tot )= -10.740882 ------------------------------------------------------------------- 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 )= -249.700696 gamma= -0.180610 meV omega= 0.8870 meV lambda( 2 )= -0.485612 gamma= -0.014112 meV omega= 5.6221 meV lambda( 3 )= 0.145860 gamma= 0.004415 meV omega= 5.7375 meV lambda( tot )= -250.040448 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -18.262335 gamma= -0.060172 meV omega= 1.8931 meV lambda( 3 )= -0.268260 gamma= -0.010276 meV omega= 6.4547 meV lambda( tot )= -18.530595 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= -0.024742 gamma= -0.000665 meV omega= 5.4048 meV lambda( tot )= -0.024742 ------------------------------------------------------------------- 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 )= 0.538121 gamma= 0.006003 meV omega= 3.4833 meV lambda( 2 )= 2.159757 gamma= 0.026623 meV omega= 3.6616 meV lambda( 3 )= -0.555696 gamma= -0.009663 meV omega= 4.3490 meV lambda( tot )= 2.142182 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -17.521779 gamma= -0.057732 meV omega= 1.8931 meV lambda( 3 )= -0.309827 gamma= -0.011868 meV omega= 6.4547 meV lambda( tot )= -17.831607 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.288536 gamma= 0.016144 meV omega= 7.8010 meV lambda( tot )= 0.288536 ------------------------------------------------------------------- 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= -2.8477 meV lambda( 2 )= -2.845528 gamma= -0.030481 meV omega= 3.4133 meV lambda( 3 )= -0.623871 gamma= -0.033187 meV omega= 7.6065 meV lambda( tot )= -3.469399 ------------------------------------------------------------------- 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 )= -243.682401 gamma= -0.176257 meV omega= 0.8870 meV lambda( 2 )= -0.579472 gamma= -0.016840 meV omega= 5.6221 meV lambda( 3 )= 0.250111 gamma= 0.007570 meV omega= 5.7375 meV lambda( tot )= -244.011761 ------------------------------------------------------------------- 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 )= -2.392887 gamma= -0.016833 meV omega= 2.7661 meV lambda( 2 )= -2.433404 gamma= -0.024895 meV omega= 3.3357 meV lambda( 3 )= -0.500141 gamma= -0.015156 meV omega= 5.7411 meV lambda( tot )= -5.326431 ------------------------------------------------------------------- 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 )= -1.144405 gamma= -0.008050 meV omega= 2.7661 meV lambda( 2 )= -1.974382 gamma= -0.020199 meV omega= 3.3357 meV lambda( 3 )= -0.412651 gamma= -0.012505 meV omega= 5.7411 meV lambda( tot )= -3.531438 ------------------------------------------------------------------- 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 )= -233.501520 gamma= -0.168893 meV omega= 0.8870 meV lambda( 2 )= -0.692916 gamma= -0.020137 meV omega= 5.6221 meV lambda( 3 )= 0.243899 gamma= 0.007382 meV omega= 5.7375 meV lambda( tot )= -233.950537 ------------------------------------------------------------------- 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= -2.8477 meV lambda( 2 )= -4.494295 gamma= -0.048142 meV omega= 3.4133 meV lambda( 3 )= -0.567453 gamma= -0.030186 meV omega= 7.6065 meV lambda( tot )= -5.061748 ------------------------------------------------------------------- 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= -3.0265 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7902 meV lambda( 3 )= 0.273435 gamma= 0.015299 meV omega= 7.8010 meV lambda( tot )= 0.273435 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -16.256566 gamma= -0.053564 meV omega= 1.8931 meV lambda( 3 )= -0.286219 gamma= -0.010964 meV omega= 6.4547 meV lambda( tot )= -16.542785 ------------------------------------------------------------------- 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 )= 0.388832 gamma= 0.004338 meV omega= 3.4833 meV lambda( 2 )= 1.743300 gamma= 0.021490 meV omega= 3.6616 meV lambda( 3 )= -0.413055 gamma= -0.007183 meV omega= 4.3490 meV lambda( tot )= 1.719077 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= -0.015994 gamma= -0.000430 meV omega= 5.4048 meV lambda( tot )= -0.015994 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -15.598459 gamma= -0.051395 meV omega= 1.8931 meV lambda( 3 )= -0.187049 gamma= -0.007165 meV omega= 6.4547 meV lambda( tot )= -15.785508 ------------------------------------------------------------------- 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 )= -221.769703 gamma= -0.160407 meV omega= 0.8870 meV lambda( 2 )= -0.658953 gamma= -0.019150 meV omega= 5.6221 meV lambda( 3 )= 0.149260 gamma= 0.004517 meV omega= 5.7375 meV lambda( tot )= -222.279395 ------------------------------------------------------------------- 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= -2.1691 meV lambda( 2 )= -19.738911 gamma= -0.065038 meV omega= 1.8931 meV lambda( 3 )= -0.394171 gamma= -0.015099 meV omega= 6.4547 meV lambda( tot )= -20.133082 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= 0.006117 gamma= 0.000164 meV omega= 5.4048 meV lambda( tot )= 0.006117 ------------------------------------------------------------------- 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= -2.7534 meV lambda( 2 )= 4.293316 gamma= 0.021759 meV omega= 2.3479 meV lambda( 3 )= -0.506802 gamma= -0.004247 meV omega= 3.0191 meV lambda( tot )= 3.786514 ------------------------------------------------------------------- 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= -3.2680 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2680 meV lambda( 3 )= 1.008318 gamma= 0.014617 meV omega= 3.9708 meV lambda( tot )= 1.008318 ------------------------------------------------------------------- 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= -3.0764 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8879 meV lambda( 3 )= 0.154704 gamma= 0.004155 meV omega= 5.4048 meV lambda( tot )= 0.154704 ------------------------------------------------------------------- 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 )= -0.920617 gamma= -0.006476 meV omega= 2.7661 meV lambda( 2 )= -2.182583 gamma= -0.022329 meV omega= 3.3357 meV lambda( 3 )= -0.352339 gamma= -0.010677 meV omega= 5.7411 meV lambda( tot )= -3.455539 ------------------------------------------------------------------- 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 )= 0.402630 gamma= 0.004492 meV omega= 3.4833 meV lambda( 2 )= 2.490808 gamma= 0.030704 meV omega= 3.6616 meV lambda( 3 )= -0.304429 gamma= -0.005294 meV omega= 4.3490 meV lambda( tot )= 2.589009 ------------------------------------------------------------------- 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= -2.7534 meV lambda( 2 )= 3.563088 gamma= 0.018058 meV omega= 2.3479 meV lambda( 3 )= -0.806328 gamma= -0.006757 meV omega= 3.0191 meV lambda( tot )= 2.756760 ------------------------------------------------------------------- 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= -1.2081 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2081 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4990 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]= 602.736269 meV Im[Sigma]= 334.619054 meV Z= 0.968075 lam= 0.032978 E( 4 )= 4.8113 eV Re[Sigma]= 602.515866 meV Im[Sigma]= 334.768426 meV Z= 0.968241 lam= 0.032800 E( 5 )= 8.2392 eV Re[Sigma]= 285.919278 meV Im[Sigma]= 4.999820 meV Z= 0.956598 lam= 0.045371 E( 6 )= 8.2392 eV Re[Sigma]= 282.015266 meV Im[Sigma]= 5.298254 meV Z= 0.957085 lam= 0.044839 E( 7 )= 8.2392 eV Re[Sigma]= 285.041898 meV Im[Sigma]= 5.250832 meV Z= 0.956640 lam= 0.045325 E( 8 )= 8.2392 eV Re[Sigma]= 282.390001 meV Im[Sigma]= 5.172629 meV Z= 0.957077 lam= 0.044848 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 3 )= 3.4112 eV Re[Sigma]= 401.220772 meV Im[Sigma]= 1144.579419 meV Z= 1.223427 lam= -0.182624 E( 4 )= 3.4122 eV Re[Sigma]= 402.039902 meV Im[Sigma]= 1143.816476 meV Z= 1.222629 lam= -0.182091 E( 5 )= 6.3635 eV Re[Sigma]= 565.727227 meV Im[Sigma]= 279.850358 meV Z= 0.969136 lam= 0.031847 E( 6 )= 6.3644 eV Re[Sigma]= 565.614396 meV Im[Sigma]= 279.766565 meV Z= 0.969115 lam= 0.031870 E( 7 )= 7.7485 eV Re[Sigma]= 439.633270 meV Im[Sigma]= 25.444169 meV Z= 0.933636 lam= 0.071082 E( 8 )= 7.7515 eV Re[Sigma]= 441.754892 meV Im[Sigma]= 25.050834 meV Z= 0.933182 lam= 0.071603 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -594.468719 meV Im[Sigma]= 539.265584 meV Z= 0.927046 lam= 0.078695 E( 4 )= -1.9925 eV Re[Sigma]= -594.509270 meV Im[Sigma]= 539.506411 meV Z= 0.927102 lam= 0.078630 E( 5 )= 4.6996 eV Re[Sigma]= 806.362767 meV Im[Sigma]= 888.433029 meV Z= 1.048052 lam= -0.045849 E( 6 )= 4.6996 eV Re[Sigma]= 806.537278 meV Im[Sigma]= 888.183253 meV Z= 1.047738 lam= -0.045563 E( 7 )= 6.6655 eV Re[Sigma]= 766.430084 meV Im[Sigma]= 257.453534 meV Z= 0.932119 lam= 0.072825 E( 8 )= 6.6655 eV Re[Sigma]= 767.430796 meV Im[Sigma]= 258.439402 meV Z= 0.931942 lam= 0.073029 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -6.0648 eV Re[Sigma]= -389.174846 meV Im[Sigma]= 3.794545 meV Z= 0.929758 lam= 0.075549 E( 4 )= -6.0648 eV Re[Sigma]= -389.397208 meV Im[Sigma]= 3.792942 meV Z= 0.929715 lam= 0.075598 E( 5 )= 4.1641 eV Re[Sigma]= 809.301823 meV Im[Sigma]= 1951.915430 meV Z= 4.492996 lam= -0.777431 E( 6 )= 4.1641 eV Re[Sigma]= 809.428332 meV Im[Sigma]= 1951.521199 meV Z= 4.492119 lam= -0.777388 E( 7 )= 6.0702 eV Re[Sigma]= 633.044828 meV Im[Sigma]= 354.640020 meV Z= 0.944241 lam= 0.059052 E( 8 )= 6.0702 eV Re[Sigma]= 633.283060 meV Im[Sigma]= 355.108996 meV Z= 0.944303 lam= 0.058982 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -595.773457 meV Im[Sigma]= 530.098595 meV Z= 0.928540 lam= 0.076959 E( 4 )= -1.9925 eV Re[Sigma]= -595.834742 meV Im[Sigma]= 530.286128 meV Z= 0.928569 lam= 0.076926 E( 5 )= 4.6996 eV Re[Sigma]= 820.804883 meV Im[Sigma]= 926.236411 meV Z= 1.060875 lam= -0.057382 E( 6 )= 4.6996 eV Re[Sigma]= 820.162758 meV Im[Sigma]= 927.759345 meV Z= 1.061432 lam= -0.057876 E( 7 )= 6.6655 eV Re[Sigma]= 759.277792 meV Im[Sigma]= 251.418626 meV Z= 0.932989 lam= 0.071824 E( 8 )= 6.6655 eV Re[Sigma]= 758.426410 meV Im[Sigma]= 250.314832 meV Z= 0.933093 lam= 0.071705 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 3 )= 3.4112 eV Re[Sigma]= 387.349631 meV Im[Sigma]= 1159.877884 meV Z= 1.233156 lam= -0.189072 E( 4 )= 3.4122 eV Re[Sigma]= 387.192586 meV Im[Sigma]= 1159.481954 meV Z= 1.233083 lam= -0.189024 E( 5 )= 6.3635 eV Re[Sigma]= 569.706424 meV Im[Sigma]= 285.441505 meV Z= 0.968932 lam= 0.032065 E( 6 )= 6.3644 eV Re[Sigma]= 569.525917 meV Im[Sigma]= 285.287222 meV Z= 0.968950 lam= 0.032045 E( 7 )= 7.7485 eV Re[Sigma]= 440.319395 meV Im[Sigma]= 24.845820 meV Z= 0.933979 lam= 0.070688 E( 8 )= 7.7515 eV Re[Sigma]= 442.961153 meV Im[Sigma]= 24.334280 meV Z= 0.933350 lam= 0.071409 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 3 )= 3.4116 eV Re[Sigma]= 392.582865 meV Im[Sigma]= 1136.679861 meV Z= 1.216056 lam= -0.177670 E( 4 )= 3.4120 eV Re[Sigma]= 393.077401 meV Im[Sigma]= 1136.922632 meV Z= 1.216157 lam= -0.177738 E( 5 )= 6.3637 eV Re[Sigma]= 569.702338 meV Im[Sigma]= 296.159212 meV Z= 0.973172 lam= 0.027567 E( 6 )= 6.3642 eV Re[Sigma]= 569.667220 meV Im[Sigma]= 296.023076 meV Z= 0.973142 lam= 0.027599 E( 7 )= 7.7487 eV Re[Sigma]= 441.830615 meV Im[Sigma]= 26.707116 meV Z= 0.934200 lam= 0.070435 E( 8 )= 7.7511 eV Re[Sigma]= 444.488330 meV Im[Sigma]= 26.383342 meV Z= 0.933629 lam= 0.071089 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 3 )= 3.4353 eV Re[Sigma]= 496.719242 meV Im[Sigma]= 1054.208629 meV Z= 1.160303 lam= -0.138156 E( 4 )= 3.4366 eV Re[Sigma]= 497.728316 meV Im[Sigma]= 1053.997598 meV Z= 1.159928 lam= -0.137878 E( 5 )= 6.1178 eV Re[Sigma]= 531.962858 meV Im[Sigma]= 192.005254 meV Z= 0.937248 lam= 0.066954 E( 6 )= 6.1203 eV Re[Sigma]= 531.434525 meV Im[Sigma]= 190.719639 meV Z= 0.937067 lam= 0.067160 E( 7 )= 6.6652 eV Re[Sigma]= 586.807612 meV Im[Sigma]= 313.409173 meV Z= 1.013869 lam= -0.013679 E( 8 )= 6.6661 eV Re[Sigma]= 587.104920 meV Im[Sigma]= 313.847981 meV Z= 1.014032 lam= -0.013838 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -0.0704 eV Re[Sigma]= -411.366236 meV Im[Sigma]= 1045.032329 meV Z= 1.245425 lam= -0.197061 E( 4 )= -0.0218 eV Re[Sigma]= -396.641540 meV Im[Sigma]= 1076.215347 meV Z= 1.258282 lam= -0.205265 E( 5 )= 3.8445 eV Re[Sigma]= 548.584957 meV Im[Sigma]= 1455.850739 meV Z= 1.423556 lam= -0.297534 E( 6 )= 3.8983 eV Re[Sigma]= 564.794843 meV Im[Sigma]= 1449.136888 meV Z= 1.443268 lam= -0.307128 E( 7 )= 5.5416 eV Re[Sigma]= 847.149826 meV Im[Sigma]= 765.617347 meV Z= 1.089829 lam= -0.082425 E( 8 )= 5.5436 eV Re[Sigma]= 847.583082 meV Im[Sigma]= 773.627367 meV Z= 1.093173 lam= -0.085231 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6734 eV Re[Sigma]= -981.854431 meV Im[Sigma]= 597.241396 meV Z= 0.981077 lam= 0.019288 E( 4 )= -4.6610 eV Re[Sigma]= -985.599279 meV Im[Sigma]= 616.117853 meV Z= 0.985026 lam= 0.015201 E( 5 )= 2.8056 eV Re[Sigma]= 456.153215 meV Im[Sigma]= 3216.768685 meV Z= -8.609714 lam= -1.116148 E( 6 )= 2.8235 eV Re[Sigma]= 485.870831 meV Im[Sigma]= 3236.040449 meV Z= -8.124558 lam= -1.123084 E( 7 )= 4.6193 eV Re[Sigma]= 914.015078 meV Im[Sigma]= 1143.281033 meV Z= 1.005499 lam= -0.005469 E( 8 )= 4.6226 eV Re[Sigma]= 919.598053 meV Im[Sigma]= 1138.260402 meV Z= 1.002438 lam= -0.002432 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -692.304634 meV Im[Sigma]= 1674.084963 meV Z= 2.190508 lam= -0.543485 E( 4 )= -3.2355 eV Re[Sigma]= -673.313074 meV Im[Sigma]= 1677.298397 meV Z= 2.115686 lam= -0.527340 E( 5 )= 2.4482 eV Re[Sigma]= -19.587732 meV Im[Sigma]= 2381.243457 meV Z= 1.975580 lam= -0.493819 E( 6 )= 2.4800 eV Re[Sigma]= -6.076112 meV Im[Sigma]= 2420.223276 meV Z= 2.164612 lam= -0.538023 E( 7 )= 5.4118 eV Re[Sigma]= 756.913729 meV Im[Sigma]= 681.316196 meV Z= 1.059889 lam= -0.056505 E( 8 )= 5.4145 eV Re[Sigma]= 757.192026 meV Im[Sigma]= 682.350324 meV Z= 1.059964 lam= -0.056571 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 3 )= 1.1980 eV Re[Sigma]= -23.881392 meV Im[Sigma]= 1058.875690 meV Z= 1.044676 lam= -0.042765 E( 4 )= 1.2959 eV Re[Sigma]= -2.582800 meV Im[Sigma]= 1047.300089 meV Z= 1.018978 lam= -0.018624 E( 5 )= 4.0593 eV Re[Sigma]= 639.423225 meV Im[Sigma]= 1874.336226 meV Z= 2.058986 lam= -0.514324 E( 6 )= 4.1714 eV Re[Sigma]= 723.095955 meV Im[Sigma]= 1847.758736 meV Z= 1.951300 lam= -0.487521 E( 7 )= 6.8270 eV Re[Sigma]= 513.502009 meV Im[Sigma]= 189.598823 meV Z= 0.975374 lam= 0.025248 E( 8 )= 6.8345 eV Re[Sigma]= 511.498337 meV Im[Sigma]= 182.451163 meV Z= 0.972687 lam= 0.028080 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -592.410201 meV Im[Sigma]= 533.227495 meV Z= 0.929174 lam= 0.076225 E( 4 )= -1.9925 eV Re[Sigma]= -592.464378 meV Im[Sigma]= 533.171807 meV Z= 0.929313 lam= 0.076064 E( 5 )= 4.6996 eV Re[Sigma]= 827.931259 meV Im[Sigma]= 933.503598 meV Z= 1.060677 lam= -0.057206 E( 6 )= 4.6996 eV Re[Sigma]= 827.894025 meV Im[Sigma]= 934.010631 meV Z= 1.061052 lam= -0.057539 E( 7 )= 6.6655 eV Re[Sigma]= 753.728461 meV Im[Sigma]= 259.308853 meV Z= 0.937335 lam= 0.066855 E( 8 )= 6.6655 eV Re[Sigma]= 752.936860 meV Im[Sigma]= 258.366412 meV Z= 0.937401 lam= 0.066779 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -0.0699 eV Re[Sigma]= -423.512697 meV Im[Sigma]= 1055.033053 meV Z= 1.247091 lam= -0.198134 E( 4 )= -0.0221 eV Re[Sigma]= -407.151947 meV Im[Sigma]= 1084.263767 meV Z= 1.258987 lam= -0.205711 E( 5 )= 3.8442 eV Re[Sigma]= 523.397756 meV Im[Sigma]= 1440.601433 meV Z= 1.406473 lam= -0.289002 E( 6 )= 3.8978 eV Re[Sigma]= 539.313619 meV Im[Sigma]= 1434.329597 meV Z= 1.424643 lam= -0.298070 E( 7 )= 5.5423 eV Re[Sigma]= 852.852204 meV Im[Sigma]= 772.064682 meV Z= 1.095581 lam= -0.087242 E( 8 )= 5.5438 eV Re[Sigma]= 854.080816 meV Im[Sigma]= 780.154608 meV Z= 1.098854 lam= -0.089961 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -0.6549 eV Re[Sigma]= -411.091828 meV Im[Sigma]= 511.710283 meV Z= 0.930113 lam= 0.075138 E( 4 )= -0.6549 eV Re[Sigma]= -410.873529 meV Im[Sigma]= 511.288129 meV Z= 0.929969 lam= 0.075305 E( 5 )= 2.1592 eV Re[Sigma]= 87.055398 meV Im[Sigma]= 899.219897 meV Z= 1.098940 lam= -0.090032 E( 6 )= 2.1592 eV Re[Sigma]= 86.919414 meV Im[Sigma]= 900.134284 meV Z= 1.099505 lam= -0.090500 E( 7 )= 3.3797 eV Re[Sigma]= 288.414627 meV Im[Sigma]= 1124.498902 meV Z= 1.239198 lam= -0.193026 E( 8 )= 3.3797 eV Re[Sigma]= 288.288649 meV Im[Sigma]= 1124.586006 meV Z= 1.239574 lam= -0.193271 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3425 eV Re[Sigma]= -760.176283 meV Im[Sigma]= 1042.597854 meV Z= 1.367899 lam= -0.268952 E( 4 )= -3.3241 eV Re[Sigma]= -752.786089 meV Im[Sigma]= 1049.143736 meV Z= 1.368756 lam= -0.269410 E( 5 )= 0.4955 eV Re[Sigma]= -231.406321 meV Im[Sigma]= 1334.821661 meV Z= 1.114421 lam= -0.102673 E( 6 )= 0.5170 eV Re[Sigma]= -223.828365 meV Im[Sigma]= 1350.388027 meV Z= 1.128732 lam= -0.114050 E( 7 )= 2.3315 eV Re[Sigma]= -221.799563 meV Im[Sigma]= 1463.230255 meV Z= 1.285371 lam= -0.222014 E( 8 )= 2.3329 eV Re[Sigma]= -217.796165 meV Im[Sigma]= 1466.521761 meV Z= 1.288038 lam= -0.223625 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -430.566490 meV Im[Sigma]= 1403.781795 meV Z= 0.986701 lam= 0.013479 E( 4 )= -2.6397 eV Re[Sigma]= -431.846531 meV Im[Sigma]= 1400.281288 meV Z= 0.985589 lam= 0.014621 E( 5 )= -1.5697 eV Re[Sigma]= -243.442828 meV Im[Sigma]= 1013.660839 meV Z= 0.764245 lam= 0.308481 E( 6 )= -1.5697 eV Re[Sigma]= -245.576097 meV Im[Sigma]= 1014.510880 meV Z= 0.764520 lam= 0.308010 E( 7 )= 3.4484 eV Re[Sigma]= 800.299570 meV Im[Sigma]= 2101.991968 meV Z= 1.813032 lam= -0.448438 E( 8 )= 3.4484 eV Re[Sigma]= 801.585466 meV Im[Sigma]= 2105.896306 meV Z= 1.820310 lam= -0.450643 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.2614 eV Re[Sigma]= -691.231834 meV Im[Sigma]= 1668.925338 meV Z= 2.181508 lam= -0.541602 E( 4 )= -3.2358 eV Re[Sigma]= -672.033647 meV Im[Sigma]= 1672.627838 meV Z= 2.109464 lam= -0.525946 E( 5 )= 2.4484 eV Re[Sigma]= -11.275465 meV Im[Sigma]= 2398.301805 meV Z= 2.000611 lam= -0.500153 E( 6 )= 2.4802 eV Re[Sigma]= 2.399046 meV Im[Sigma]= 2438.375151 meV Z= 2.198249 lam= -0.545092 E( 7 )= 5.4114 eV Re[Sigma]= 750.650225 meV Im[Sigma]= 665.343251 meV Z= 1.051776 lam= -0.049227 E( 8 )= 5.4146 eV Re[Sigma]= 750.593741 meV Im[Sigma]= 665.952625 meV Z= 1.051689 lam= -0.049148 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -6.0650 eV Re[Sigma]= -389.048355 meV Im[Sigma]= 3.792316 meV Z= 0.929775 lam= 0.075529 E( 4 )= -6.0650 eV Re[Sigma]= -389.440595 meV Im[Sigma]= 3.779703 meV Z= 0.929695 lam= 0.075621 E( 5 )= 4.1640 eV Re[Sigma]= 806.600547 meV Im[Sigma]= 1945.933647 meV Z= 4.408547 lam= -0.773168 E( 6 )= 4.1640 eV Re[Sigma]= 806.939053 meV Im[Sigma]= 1945.357909 meV Z= 4.398548 lam= -0.772652 E( 7 )= 6.0704 eV Re[Sigma]= 632.940481 meV Im[Sigma]= 353.587760 meV Z= 0.944007 lam= 0.059315 E( 8 )= 6.0704 eV Re[Sigma]= 633.232161 meV Im[Sigma]= 353.328354 meV Z= 0.943862 lam= 0.059477 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -4.6742 eV Re[Sigma]= -979.570497 meV Im[Sigma]= 596.404161 meV Z= 0.981396 lam= 0.018956 E( 4 )= -4.6605 eV Re[Sigma]= -983.204240 meV Im[Sigma]= 615.814978 meV Z= 0.985443 lam= 0.014772 E( 5 )= 2.8058 eV Re[Sigma]= 429.124744 meV Im[Sigma]= 3139.167322 meV Z= -11.655414 lam= -1.085797 E( 6 )= 2.8230 eV Re[Sigma]= 457.976697 meV Im[Sigma]= 3158.690018 meV Z= -10.485444 lam= -1.095370 E( 7 )= 4.6194 eV Re[Sigma]= 916.414734 meV Im[Sigma]= 1151.181064 meV Z= 1.009405 lam= -0.009317 E( 8 )= 4.6232 eV Re[Sigma]= 920.969602 meV Im[Sigma]= 1145.422305 meV Z= 1.006183 lam= -0.006145 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.3434 eV Re[Sigma]= -758.708135 meV Im[Sigma]= 1052.621678 meV Z= 1.375591 lam= -0.273040 E( 4 )= -3.3234 eV Re[Sigma]= -750.683068 meV Im[Sigma]= 1058.764614 meV Z= 1.375714 lam= -0.273105 E( 5 )= 0.4958 eV Re[Sigma]= -227.929581 meV Im[Sigma]= 1347.215929 meV Z= 1.120494 lam= -0.107537 E( 6 )= 0.5170 eV Re[Sigma]= -220.276799 meV Im[Sigma]= 1360.286963 meV Z= 1.132984 lam= -0.117375 E( 7 )= 2.3315 eV Re[Sigma]= -231.518013 meV Im[Sigma]= 1443.990739 meV Z= 1.264209 lam= -0.208991 E( 8 )= 2.3331 eV Re[Sigma]= -228.147009 meV Im[Sigma]= 1448.104398 meV Z= 1.268350 lam= -0.211574 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.9280 eV Re[Sigma]= -623.595498 meV Im[Sigma]= 235.816387 meV Z= 0.983476 lam= 0.016801 E( 4 )= -4.9280 eV Re[Sigma]= -623.685916 meV Im[Sigma]= 235.898233 meV Z= 0.983493 lam= 0.016784 E( 5 )= 0.4955 eV Re[Sigma]= 1.341244 meV Im[Sigma]= 1296.617227 meV Z= 1.311228 lam= -0.237356 E( 6 )= 0.4955 eV Re[Sigma]= 2.637556 meV Im[Sigma]= 1297.193206 meV Z= 1.312069 lam= -0.237845 E( 7 )= 1.6662 eV Re[Sigma]= 95.430237 meV Im[Sigma]= 537.813218 meV Z= 0.954222 lam= 0.047974 E( 8 )= 1.6662 eV Re[Sigma]= 95.661475 meV Im[Sigma]= 537.628846 meV Z= 0.954596 lam= 0.047564 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.3434 eV Re[Sigma]= -761.187394 meV Im[Sigma]= 1045.902053 meV Z= 1.371113 lam= -0.270665 E( 4 )= -3.3234 eV Re[Sigma]= -753.764478 meV Im[Sigma]= 1051.898135 meV Z= 1.370868 lam= -0.270535 E( 5 )= 0.4958 eV Re[Sigma]= -227.974487 meV Im[Sigma]= 1330.107991 meV Z= 1.112254 lam= -0.100925 E( 6 )= 0.5170 eV Re[Sigma]= -220.511344 meV Im[Sigma]= 1345.836073 meV Z= 1.126809 lam= -0.112538 E( 7 )= 2.3315 eV Re[Sigma]= -219.062931 meV Im[Sigma]= 1464.196440 meV Z= 1.282251 lam= -0.220121 E( 8 )= 2.3331 eV Re[Sigma]= -216.036644 meV Im[Sigma]= 1469.801607 meV Z= 1.286565 lam= -0.222736 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -4.6742 eV Re[Sigma]= -983.419492 meV Im[Sigma]= 601.054198 meV Z= 0.982035 lam= 0.018294 E( 4 )= -4.6605 eV Re[Sigma]= -987.197917 meV Im[Sigma]= 620.823879 meV Z= 0.986118 lam= 0.014077 E( 5 )= 2.8058 eV Re[Sigma]= 450.870757 meV Im[Sigma]= 3213.268501 meV Z= -8.627421 lam= -1.115909 E( 6 )= 2.8230 eV Re[Sigma]= 479.913708 meV Im[Sigma]= 3234.652322 meV Z= -8.048305 lam= -1.124250 E( 7 )= 4.6194 eV Re[Sigma]= 919.979760 meV Im[Sigma]= 1131.675585 meV Z= 1.000019 lam= -0.000019 E( 8 )= 4.6232 eV Re[Sigma]= 925.250425 meV Im[Sigma]= 1126.973594 meV Z= 0.996981 lam= 0.003028 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -589.852152 meV Im[Sigma]= 544.450333 meV Z= 0.928136 lam= 0.077428 E( 4 )= -1.9925 eV Re[Sigma]= -589.985910 meV Im[Sigma]= 544.471998 meV Z= 0.928168 lam= 0.077391 E( 5 )= 4.6996 eV Re[Sigma]= 810.055361 meV Im[Sigma]= 902.194428 meV Z= 1.053085 lam= -0.050409 E( 6 )= 4.6996 eV Re[Sigma]= 809.976386 meV Im[Sigma]= 901.809938 meV Z= 1.052799 lam= -0.050151 E( 7 )= 6.6655 eV Re[Sigma]= 768.657569 meV Im[Sigma]= 264.846879 meV Z= 0.933942 lam= 0.070730 E( 8 )= 6.6655 eV Re[Sigma]= 770.075607 meV Im[Sigma]= 266.647139 meV Z= 0.933832 lam= 0.070857 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.2614 eV Re[Sigma]= -689.944452 meV Im[Sigma]= 1670.729569 meV Z= 2.171481 lam= -0.539485 E( 4 )= -3.2358 eV Re[Sigma]= -671.518410 meV Im[Sigma]= 1673.225738 meV Z= 2.097129 lam= -0.523158 E( 5 )= 2.4484 eV Re[Sigma]= -11.469064 meV Im[Sigma]= 2367.782133 meV Z= 1.938510 lam= -0.484140 E( 6 )= 2.4802 eV Re[Sigma]= 1.845390 meV Im[Sigma]= 2405.874931 meV Z= 2.121241 lam= -0.528578 E( 7 )= 5.4114 eV Re[Sigma]= 759.412299 meV Im[Sigma]= 675.681861 meV Z= 1.059259 lam= -0.055944 E( 8 )= 5.4146 eV Re[Sigma]= 758.690547 meV Im[Sigma]= 677.188320 meV Z= 1.059172 lam= -0.055866 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -398.469793 meV Im[Sigma]= 1462.737509 meV Z= 1.002356 lam= -0.002351 E( 4 )= -2.6397 eV Re[Sigma]= -401.848402 meV Im[Sigma]= 1451.893612 meV Z= 0.998832 lam= 0.001169 E( 5 )= -1.5697 eV Re[Sigma]= -271.871307 meV Im[Sigma]= 994.819444 meV Z= 0.763641 lam= 0.309516 E( 6 )= -1.5697 eV Re[Sigma]= -292.062922 meV Im[Sigma]= 1005.098066 meV Z= 0.765636 lam= 0.306103 E( 7 )= 3.4484 eV Re[Sigma]= 838.601900 meV Im[Sigma]= 2155.121180 meV Z= 1.912543 lam= -0.477136 E( 8 )= 3.4484 eV Re[Sigma]= 839.808724 meV Im[Sigma]= 2158.768906 meV Z= 1.920013 lam= -0.479170 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3425 eV Re[Sigma]= -758.330809 meV Im[Sigma]= 1061.763437 meV Z= 1.383026 lam= -0.276948 E( 4 )= -3.3241 eV Re[Sigma]= -750.322158 meV Im[Sigma]= 1067.973632 meV Z= 1.383847 lam= -0.277377 E( 5 )= 0.4955 eV Re[Sigma]= -233.270363 meV Im[Sigma]= 1348.410873 meV Z= 1.120999 lam= -0.107938 E( 6 )= 0.5170 eV Re[Sigma]= -225.575134 meV Im[Sigma]= 1361.903829 meV Z= 1.133606 lam= -0.117859 E( 7 )= 2.3315 eV Re[Sigma]= -236.206142 meV Im[Sigma]= 1448.447693 meV Z= 1.265369 lam= -0.209717 E( 8 )= 2.3329 eV Re[Sigma]= -232.671466 meV Im[Sigma]= 1452.952673 meV Z= 1.269379 lam= -0.212213 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -0.6549 eV Re[Sigma]= -412.543436 meV Im[Sigma]= 502.062493 meV Z= 0.926259 lam= 0.079612 E( 4 )= -0.6549 eV Re[Sigma]= -412.494189 meV Im[Sigma]= 501.791564 meV Z= 0.926142 lam= 0.079748 E( 5 )= 2.1592 eV Re[Sigma]= 84.396633 meV Im[Sigma]= 898.519576 meV Z= 1.098003 lam= -0.089256 E( 6 )= 2.1592 eV Re[Sigma]= 84.459268 meV Im[Sigma]= 897.454323 meV Z= 1.097320 lam= -0.088689 E( 7 )= 3.3797 eV Re[Sigma]= 293.757306 meV Im[Sigma]= 1135.098520 meV Z= 1.245687 lam= -0.197230 E( 8 )= 3.3797 eV Re[Sigma]= 293.777355 meV Im[Sigma]= 1134.634247 meV Z= 1.244863 lam= -0.196699 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -0.0699 eV Re[Sigma]= -412.114506 meV Im[Sigma]= 1045.648553 meV Z= 1.243432 lam= -0.195774 E( 4 )= -0.0221 eV Re[Sigma]= -396.852152 meV Im[Sigma]= 1075.689872 meV Z= 1.255917 lam= -0.203769 E( 5 )= 3.8442 eV Re[Sigma]= 540.925841 meV Im[Sigma]= 1482.992964 meV Z= 1.449448 lam= -0.310082 E( 6 )= 3.8978 eV Re[Sigma]= 557.274206 meV Im[Sigma]= 1477.192071 meV Z= 1.470318 lam= -0.319875 E( 7 )= 5.5423 eV Re[Sigma]= 854.334538 meV Im[Sigma]= 765.119156 meV Z= 1.089247 lam= -0.081934 E( 8 )= 5.5438 eV Re[Sigma]= 854.510166 meV Im[Sigma]= 773.013128 meV Z= 1.092392 lam= -0.084578 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 3 )= 3.4116 eV Re[Sigma]= 404.636506 meV Im[Sigma]= 1153.886439 meV Z= 1.225935 lam= -0.184296 E( 4 )= 3.4120 eV Re[Sigma]= 404.411960 meV Im[Sigma]= 1154.147197 meV Z= 1.225550 lam= -0.184040 E( 5 )= 6.3637 eV Re[Sigma]= 565.805045 meV Im[Sigma]= 292.626448 meV Z= 0.973650 lam= 0.027063 E( 6 )= 6.3642 eV Re[Sigma]= 565.567335 meV Im[Sigma]= 292.242770 meV Z= 0.973550 lam= 0.027168 E( 7 )= 7.7487 eV Re[Sigma]= 439.378855 meV Im[Sigma]= 24.809858 meV Z= 0.933522 lam= 0.071212 E( 8 )= 7.7511 eV Re[Sigma]= 441.472448 meV Im[Sigma]= 24.390984 meV Z= 0.933064 lam= 0.071738 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 3 )= 1.1980 eV Re[Sigma]= 13.395063 meV Im[Sigma]= 1088.239361 meV Z= 1.043055 lam= -0.041278 E( 4 )= 1.2959 eV Re[Sigma]= 33.090178 meV Im[Sigma]= 1067.175744 meV Z= 1.014771 lam= -0.014556 E( 5 )= 4.0592 eV Re[Sigma]= 661.589244 meV Im[Sigma]= 1862.798225 meV Z= 2.077019 lam= -0.518541 E( 6 )= 4.1714 eV Re[Sigma]= 743.107368 meV Im[Sigma]= 1826.325433 meV Z= 1.957289 lam= -0.489089 E( 7 )= 6.8270 eV Re[Sigma]= 522.095804 meV Im[Sigma]= 196.095267 meV Z= 0.972677 lam= 0.028091 E( 8 )= 6.8345 eV Re[Sigma]= 521.780870 meV Im[Sigma]= 189.436494 meV Z= 0.969880 lam= 0.031056 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -693.096924 meV Im[Sigma]= 1672.855176 meV Z= 2.173254 lam= -0.539860 E( 4 )= -3.2355 eV Re[Sigma]= -674.752059 meV Im[Sigma]= 1674.767509 meV Z= 2.097026 lam= -0.523134 E( 5 )= 2.4482 eV Re[Sigma]= -17.875385 meV Im[Sigma]= 2371.011035 meV Z= 1.938804 lam= -0.484218 E( 6 )= 2.4800 eV Re[Sigma]= -3.950123 meV Im[Sigma]= 2409.387470 meV Z= 2.121580 lam= -0.528653 E( 7 )= 5.4118 eV Re[Sigma]= 759.396254 meV Im[Sigma]= 661.884350 meV Z= 1.052607 lam= -0.049978 E( 8 )= 5.4145 eV Re[Sigma]= 758.579439 meV Im[Sigma]= 663.353066 meV Z= 1.052605 lam= -0.049976 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6734 eV Re[Sigma]= -978.269587 meV Im[Sigma]= 594.792517 meV Z= 0.981325 lam= 0.019030 E( 4 )= -4.6610 eV Re[Sigma]= -981.863827 meV Im[Sigma]= 613.260016 meV Z= 0.985192 lam= 0.015031 E( 5 )= 2.8056 eV Re[Sigma]= 425.527502 meV Im[Sigma]= 3154.066219 meV Z= -11.068388 lam= -1.090347 E( 6 )= 2.8235 eV Re[Sigma]= 455.857775 meV Im[Sigma]= 3172.475376 meV Z= -10.067846 lam= -1.099326 E( 7 )= 4.6193 eV Re[Sigma]= 915.985535 meV Im[Sigma]= 1145.352446 meV Z= 1.004772 lam= -0.004750 E( 8 )= 4.6226 eV Re[Sigma]= 921.166666 meV Im[Sigma]= 1137.943177 meV Z= 1.000679 lam= -0.000679 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -0.0704 eV Re[Sigma]= -426.011885 meV Im[Sigma]= 1042.624793 meV Z= 1.238924 lam= -0.192848 E( 4 )= -0.0218 eV Re[Sigma]= -410.122318 meV Im[Sigma]= 1074.038671 meV Z= 1.251579 lam= -0.201009 E( 5 )= 3.8445 eV Re[Sigma]= 521.666456 meV Im[Sigma]= 1453.938678 meV Z= 1.427255 lam= -0.299354 E( 6 )= 3.8983 eV Re[Sigma]= 538.490074 meV Im[Sigma]= 1446.811007 meV Z= 1.444422 lam= -0.307681 E( 7 )= 5.5416 eV Re[Sigma]= 860.811338 meV Im[Sigma]= 760.369862 meV Z= 1.088393 lam= -0.081214 E( 8 )= 5.5436 eV Re[Sigma]= 862.698846 meV Im[Sigma]= 767.704941 meV Z= 1.090972 lam= -0.083386 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 3 )= 3.4353 eV Re[Sigma]= 489.717016 meV Im[Sigma]= 1071.386830 meV Z= 1.166628 lam= -0.142829 E( 4 )= 3.4366 eV Re[Sigma]= 489.330790 meV Im[Sigma]= 1071.570857 meV Z= 1.167048 lam= -0.143137 E( 5 )= 6.1179 eV Re[Sigma]= 532.370235 meV Im[Sigma]= 190.904688 meV Z= 0.937299 lam= 0.066895 E( 6 )= 6.1203 eV Re[Sigma]= 532.431407 meV Im[Sigma]= 191.161546 meV Z= 0.937383 lam= 0.066800 E( 7 )= 6.6652 eV Re[Sigma]= 591.481991 meV Im[Sigma]= 294.471900 meV Z= 1.003416 lam= -0.003405 E( 8 )= 6.6661 eV Re[Sigma]= 591.488240 meV Im[Sigma]= 294.011888 meV Z= 1.003389 lam= -0.003377 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 3 )= 3.4114 eV Re[Sigma]= 394.809785 meV Im[Sigma]= 1154.401618 meV Z= 1.224838 lam= -0.183565 E( 4 )= 3.4122 eV Re[Sigma]= 395.259249 meV Im[Sigma]= 1154.448154 meV Z= 1.224635 lam= -0.183430 E( 5 )= 6.3634 eV Re[Sigma]= 565.783889 meV Im[Sigma]= 285.671947 meV Z= 0.971267 lam= 0.029583 E( 6 )= 6.3645 eV Re[Sigma]= 565.660177 meV Im[Sigma]= 285.438112 meV Z= 0.971236 lam= 0.029616 E( 7 )= 7.7485 eV Re[Sigma]= 439.252590 meV Im[Sigma]= 25.948567 meV Z= 0.934289 lam= 0.070333 E( 8 )= 7.7513 eV Re[Sigma]= 441.355569 meV Im[Sigma]= 25.516453 meV Z= 0.933819 lam= 0.070871 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 3 )= 3.4353 eV Re[Sigma]= 511.732432 meV Im[Sigma]= 1064.692486 meV Z= 1.159894 lam= -0.137852 E( 4 )= 3.4363 eV Re[Sigma]= 511.749621 meV Im[Sigma]= 1064.650449 meV Z= 1.159671 lam= -0.137686 E( 5 )= 6.1185 eV Re[Sigma]= 525.994205 meV Im[Sigma]= 197.336704 meV Z= 0.939837 lam= 0.064014 E( 6 )= 6.1197 eV Re[Sigma]= 526.186207 meV Im[Sigma]= 196.335100 meV Z= 0.939533 lam= 0.064359 E( 7 )= 6.6654 eV Re[Sigma]= 593.566820 meV Im[Sigma]= 303.055101 meV Z= 1.005501 lam= -0.005471 E( 8 )= 6.6660 eV Re[Sigma]= 593.862471 meV Im[Sigma]= 302.860370 meV Z= 1.005441 lam= -0.005412 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -0.0702 eV Re[Sigma]= -427.199079 meV Im[Sigma]= 1064.977829 meV Z= 1.244808 lam= -0.196663 E( 4 )= -0.0220 eV Re[Sigma]= -411.743481 meV Im[Sigma]= 1096.494053 meV Z= 1.257882 lam= -0.205013 E( 5 )= 3.8441 eV Re[Sigma]= 537.289518 meV Im[Sigma]= 1431.680945 meV Z= 1.415275 lam= -0.293423 E( 6 )= 3.8978 eV Re[Sigma]= 552.874670 meV Im[Sigma]= 1425.927723 meV Z= 1.434551 lam= -0.302918 E( 7 )= 5.5421 eV Re[Sigma]= 840.444226 meV Im[Sigma]= 778.910427 meV Z= 1.101322 lam= -0.092001 E( 8 )= 5.5441 eV Re[Sigma]= 841.979250 meV Im[Sigma]= 785.702165 meV Z= 1.103825 lam= -0.094059 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -982.637363 meV Im[Sigma]= 598.516201 meV Z= 0.981310 lam= 0.019046 E( 4 )= -4.6605 eV Re[Sigma]= -986.702782 meV Im[Sigma]= 618.246600 meV Z= 0.985396 lam= 0.014820 E( 5 )= 2.8059 eV Re[Sigma]= 451.617071 meV Im[Sigma]= 3217.294607 meV Z= -8.632183 lam= -1.115846 E( 6 )= 2.8234 eV Re[Sigma]= 480.866442 meV Im[Sigma]= 3236.876932 meV Z= -8.031588 lam= -1.124508 E( 7 )= 4.6190 eV Re[Sigma]= 906.718170 meV Im[Sigma]= 1151.601583 meV Z= 1.011821 lam= -0.011683 E( 8 )= 4.6227 eV Re[Sigma]= 913.004514 meV Im[Sigma]= 1145.359621 meV Z= 1.008068 lam= -0.008003 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -689.092453 meV Im[Sigma]= 1675.010202 meV Z= 2.187301 lam= -0.542816 E( 4 )= -3.2356 eV Re[Sigma]= -670.411583 meV Im[Sigma]= 1677.504360 meV Z= 2.111294 lam= -0.526357 E( 5 )= 2.4487 eV Re[Sigma]= -39.297798 meV Im[Sigma]= 2419.650935 meV Z= 2.027095 lam= -0.506683 E( 6 )= 2.4804 eV Re[Sigma]= -25.341476 meV Im[Sigma]= 2459.821524 meV Z= 2.232025 lam= -0.551976 E( 7 )= 5.4112 eV Re[Sigma]= 757.135276 meV Im[Sigma]= 667.815040 meV Z= 1.055834 lam= -0.052881 E( 8 )= 5.4143 eV Re[Sigma]= 756.740913 meV Im[Sigma]= 668.758572 meV Z= 1.056096 lam= -0.053116 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 3 )= 1.1978 eV Re[Sigma]= -16.001812 meV Im[Sigma]= 1073.708992 meV Z= 1.045404 lam= -0.043432 E( 4 )= 1.2962 eV Re[Sigma]= 4.603104 meV Im[Sigma]= 1058.686796 meV Z= 1.019395 lam= -0.019026 E( 5 )= 4.0595 eV Re[Sigma]= 663.337206 meV Im[Sigma]= 1894.549662 meV Z= 2.112178 lam= -0.526555 E( 6 )= 4.1714 eV Re[Sigma]= 746.732785 meV Im[Sigma]= 1862.906109 meV Z= 1.997845 lam= -0.499461 E( 7 )= 6.8270 eV Re[Sigma]= 515.342091 meV Im[Sigma]= 189.298588 meV Z= 0.974107 lam= 0.026581 E( 8 )= 6.8341 eV Re[Sigma]= 514.175855 meV Im[Sigma]= 182.908325 meV Z= 0.971698 lam= 0.029126 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 3 )= 3.4358 eV Re[Sigma]= 501.994282 meV Im[Sigma]= 1067.408479 meV Z= 1.162972 lam= -0.140134 E( 4 )= 3.4366 eV Re[Sigma]= 502.465861 meV Im[Sigma]= 1066.710032 meV Z= 1.162540 lam= -0.139815 E( 5 )= 6.1185 eV Re[Sigma]= 524.111801 meV Im[Sigma]= 198.667828 meV Z= 0.940532 lam= 0.063228 E( 6 )= 6.1196 eV Re[Sigma]= 524.250676 meV Im[Sigma]= 199.113876 meV Z= 0.940643 lam= 0.063102 E( 7 )= 6.6651 eV Re[Sigma]= 598.930237 meV Im[Sigma]= 304.980866 meV Z= 1.007153 lam= -0.007103 E( 8 )= 6.6656 eV Re[Sigma]= 598.377487 meV Im[Sigma]= 304.189644 meV Z= 1.007105 lam= -0.007055 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 3 )= 3.4112 eV Re[Sigma]= 395.497433 meV Im[Sigma]= 1148.968641 meV Z= 1.224938 lam= -0.183632 E( 4 )= 3.4124 eV Re[Sigma]= 395.883764 meV Im[Sigma]= 1150.033087 meV Z= 1.225984 lam= -0.184329 E( 5 )= 6.3637 eV Re[Sigma]= 567.188610 meV Im[Sigma]= 282.533926 meV Z= 0.969123 lam= 0.031860 E( 6 )= 6.3644 eV Re[Sigma]= 567.678393 meV Im[Sigma]= 282.662941 meV Z= 0.969029 lam= 0.031961 E( 7 )= 7.7485 eV Re[Sigma]= 439.411031 meV Im[Sigma]= 24.841947 meV Z= 0.933711 lam= 0.070995 E( 8 )= 7.7511 eV Re[Sigma]= 441.648177 meV Im[Sigma]= 24.308643 meV Z= 0.933168 lam= 0.071618 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 3 )= 1.1974 eV Re[Sigma]= -6.473063 meV Im[Sigma]= 1073.304480 meV Z= 1.042845 lam= -0.041085 E( 4 )= 1.2961 eV Re[Sigma]= 13.468769 meV Im[Sigma]= 1057.966905 meV Z= 1.016302 lam= -0.016040 E( 5 )= 4.0589 eV Re[Sigma]= 668.435623 meV Im[Sigma]= 1891.621322 meV Z= 2.124582 lam= -0.529319 E( 6 )= 4.1718 eV Re[Sigma]= 752.743043 meV Im[Sigma]= 1856.433295 meV Z= 1.999194 lam= -0.499798 E( 7 )= 6.8266 eV Re[Sigma]= 516.890299 meV Im[Sigma]= 186.723425 meV Z= 0.970853 lam= 0.030023 E( 8 )= 6.8354 eV Re[Sigma]= 515.584480 meV Im[Sigma]= 180.055423 meV Z= 0.968324 lam= 0.032712 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.2611 eV Re[Sigma]= -693.640615 meV Im[Sigma]= 1675.383025 meV Z= 2.172825 lam= -0.539770 E( 4 )= -3.2359 eV Re[Sigma]= -675.155709 meV Im[Sigma]= 1677.543979 meV Z= 2.099195 lam= -0.523627 E( 5 )= 2.4481 eV Re[Sigma]= -11.768984 meV Im[Sigma]= 2426.834527 meV Z= 2.040018 lam= -0.509808 E( 6 )= 2.4799 eV Re[Sigma]= 3.110305 meV Im[Sigma]= 2467.173095 meV Z= 2.252999 lam= -0.556147 E( 7 )= 5.4114 eV Re[Sigma]= 757.741134 meV Im[Sigma]= 657.645428 meV Z= 1.053561 lam= -0.050838 E( 8 )= 5.4151 eV Re[Sigma]= 756.442620 meV Im[Sigma]= 658.456549 meV Z= 1.053768 lam= -0.051025 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -979.147580 meV Im[Sigma]= 596.633681 meV Z= 0.981590 lam= 0.018756 E( 4 )= -4.6605 eV Re[Sigma]= -982.987094 meV Im[Sigma]= 616.326226 meV Z= 0.985717 lam= 0.014490 E( 5 )= 2.8067 eV Re[Sigma]= 435.717223 meV Im[Sigma]= 3187.476023 meV Z= -9.431476 lam= -1.106028 E( 6 )= 2.8227 eV Re[Sigma]= 464.381688 meV Im[Sigma]= 3208.064489 meV Z= -8.685014 lam= -1.115141 E( 7 )= 4.6194 eV Re[Sigma]= 916.335625 meV Im[Sigma]= 1138.543571 meV Z= 1.010165 lam= -0.010063 E( 8 )= 4.6222 eV Re[Sigma]= 921.130256 meV Im[Sigma]= 1132.244114 meV Z= 1.006914 lam= -0.006867 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -0.0700 eV Re[Sigma]= -421.994062 meV Im[Sigma]= 1052.950082 meV Z= 1.247061 lam= -0.198114 E( 4 )= -0.0221 eV Re[Sigma]= -406.058222 meV Im[Sigma]= 1083.443575 meV Z= 1.259724 lam= -0.206175 E( 5 )= 3.8448 eV Re[Sigma]= 524.234315 meV Im[Sigma]= 1464.314895 meV Z= 1.434417 lam= -0.302853 E( 6 )= 3.8986 eV Re[Sigma]= 540.788868 meV Im[Sigma]= 1458.612097 meV Z= 1.454021 lam= -0.312252 E( 7 )= 5.5409 eV Re[Sigma]= 853.949487 meV Im[Sigma]= 769.675615 meV Z= 1.095547 lam= -0.087214 E( 8 )= 5.5435 eV Re[Sigma]= 855.217610 meV Im[Sigma]= 775.812415 meV Z= 1.098041 lam= -0.089287 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -0.0699 eV Re[Sigma]= -417.525662 meV Im[Sigma]= 1042.703850 meV Z= 1.239262 lam= -0.193068 E( 4 )= -0.0221 eV Re[Sigma]= -401.973890 meV Im[Sigma]= 1073.123284 meV Z= 1.252143 lam= -0.201369 E( 5 )= 3.8449 eV Re[Sigma]= 533.272870 meV Im[Sigma]= 1479.062800 meV Z= 1.441420 lam= -0.306240 E( 6 )= 3.8984 eV Re[Sigma]= 549.304825 meV Im[Sigma]= 1472.518472 meV Z= 1.461381 lam= -0.315716 E( 7 )= 5.5412 eV Re[Sigma]= 845.551161 meV Im[Sigma]= 760.389697 meV Z= 1.090113 lam= -0.082664 E( 8 )= 5.5433 eV Re[Sigma]= 846.639462 meV Im[Sigma]= 767.440268 meV Z= 1.093117 lam= -0.085185 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 3 )= 1.1993 eV Re[Sigma]= -12.327821 meV Im[Sigma]= 1076.610819 meV Z= 1.045890 lam= -0.043877 E( 4 )= 1.2949 eV Re[Sigma]= 7.762102 meV Im[Sigma]= 1061.827176 meV Z= 1.019894 lam= -0.019506 E( 5 )= 4.0595 eV Re[Sigma]= 658.549502 meV Im[Sigma]= 1889.143123 meV Z= 2.098030 lam= -0.523362 E( 6 )= 4.1708 eV Re[Sigma]= 741.231648 meV Im[Sigma]= 1858.134059 meV Z= 1.989282 lam= -0.497306 E( 7 )= 6.8267 eV Re[Sigma]= 515.155523 meV Im[Sigma]= 190.785683 meV Z= 0.974668 lam= 0.025990 E( 8 )= 6.8349 eV Re[Sigma]= 513.863217 meV Im[Sigma]= 183.836099 meV Z= 0.972037 lam= 0.028767 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -0.0701 eV Re[Sigma]= -417.635236 meV Im[Sigma]= 1054.954022 meV Z= 1.249236 lam= -0.199511 E( 4 )= -0.0221 eV Re[Sigma]= -401.488523 meV Im[Sigma]= 1085.106269 meV Z= 1.261898 lam= -0.207543 E( 5 )= 3.8444 eV Re[Sigma]= 540.013179 meV Im[Sigma]= 1435.711900 meV Z= 1.405929 lam= -0.288726 E( 6 )= 3.8981 eV Re[Sigma]= 555.451681 meV Im[Sigma]= 1428.245849 meV Z= 1.422949 lam= -0.297234 E( 7 )= 5.5419 eV Re[Sigma]= 856.252842 meV Im[Sigma]= 769.272750 meV Z= 1.091972 lam= -0.084226 E( 8 )= 5.5438 eV Re[Sigma]= 857.034081 meV Im[Sigma]= 776.074633 meV Z= 1.094657 lam= -0.086472 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -1.9716 eV Re[Sigma]= -478.154232 meV Im[Sigma]= 650.795099 meV Z= 0.948892 lam= 0.053860 E( 4 )= -1.9160 eV Re[Sigma]= -473.108437 meV Im[Sigma]= 642.874606 meV Z= 0.952151 lam= 0.050253 E( 5 )= 1.0009 eV Re[Sigma]= -226.283946 meV Im[Sigma]= 1541.357188 meV Z= 1.115365 lam= -0.103433 E( 6 )= 1.0775 eV Re[Sigma]= -221.088166 meV Im[Sigma]= 1511.482890 meV Z= 1.098335 lam= -0.089531 E( 7 )= 3.9744 eV Re[Sigma]= 814.236973 meV Im[Sigma]= 1679.633534 meV Z= 1.450555 lam= -0.310609 E( 8 )= 4.0150 eV Re[Sigma]= 834.968032 meV Im[Sigma]= 1663.095923 meV Z= 1.466583 lam= -0.318143 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.6636 eV Re[Sigma]= -986.163396 meV Im[Sigma]= 1469.093072 meV Z= 1.352941 lam= -0.260870 E( 4 )= -3.6553 eV Re[Sigma]= -986.416132 meV Im[Sigma]= 1481.948480 meV Z= 1.365330 lam= -0.267576 E( 5 )= -0.0882 eV Re[Sigma]= -255.068810 meV Im[Sigma]= 1534.289945 meV Z= 1.145926 lam= -0.127343 E( 6 )= -0.0675 eV Re[Sigma]= -249.773504 meV Im[Sigma]= 1567.700006 meV Z= 1.161890 lam= -0.139334 E( 7 )= 2.9124 eV Re[Sigma]= 6.076315 meV Im[Sigma]= 2975.139788 meV Z= 7.693439 lam= -0.870019 E( 8 )= 2.9436 eV Re[Sigma]= 41.056274 meV Im[Sigma]= 3001.221276 meV Z= 7.201867 lam= -0.861147 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -1.9716 eV Re[Sigma]= -481.412610 meV Im[Sigma]= 648.048953 meV Z= 0.946992 lam= 0.055975 E( 4 )= -1.9160 eV Re[Sigma]= -477.223452 meV Im[Sigma]= 640.239153 meV Z= 0.950106 lam= 0.052514 E( 5 )= 1.0019 eV Re[Sigma]= -201.802737 meV Im[Sigma]= 1541.181427 meV Z= 1.125808 lam= -0.111749 E( 6 )= 1.0768 eV Re[Sigma]= -197.773595 meV Im[Sigma]= 1510.524611 meV Z= 1.108659 lam= -0.098009 E( 7 )= 3.9749 eV Re[Sigma]= 797.924766 meV Im[Sigma]= 1698.948594 meV Z= 1.474323 lam= -0.321722 E( 8 )= 4.0141 eV Re[Sigma]= 818.960625 meV Im[Sigma]= 1683.717185 meV Z= 1.491138 lam= -0.329371 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -4.6738 eV Re[Sigma]= -978.727319 meV Im[Sigma]= 596.860122 meV Z= 0.981624 lam= 0.018720 E( 4 )= -4.6608 eV Re[Sigma]= -982.498979 meV Im[Sigma]= 616.206705 meV Z= 0.985648 lam= 0.014561 E( 5 )= 2.8063 eV Re[Sigma]= 442.225245 meV Im[Sigma]= 3198.236185 meV Z= -9.077253 lam= -1.110165 E( 6 )= 2.8225 eV Re[Sigma]= 471.253231 meV Im[Sigma]= 3218.696741 meV Z= -8.386333 lam= -1.119242 E( 7 )= 4.6198 eV Re[Sigma]= 902.105011 meV Im[Sigma]= 1124.334997 meV Z= 1.005746 lam= -0.005713 E( 8 )= 4.6227 eV Re[Sigma]= 906.375828 meV Im[Sigma]= 1118.624765 meV Z= 1.002785 lam= -0.002777 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -686.239914 meV Im[Sigma]= 1680.896880 meV Z= 2.199838 lam= -0.545421 E( 4 )= -3.2357 eV Re[Sigma]= -667.645045 meV Im[Sigma]= 1684.361557 meV Z= 2.127095 lam= -0.529875 E( 5 )= 2.4484 eV Re[Sigma]= -39.231634 meV Im[Sigma]= 2427.465777 meV Z= 2.047174 lam= -0.511522 E( 6 )= 2.4803 eV Re[Sigma]= -24.893765 meV Im[Sigma]= 2466.862293 meV Z= 2.255745 lam= -0.556688 E( 7 )= 5.4112 eV Re[Sigma]= 758.622150 meV Im[Sigma]= 659.573910 meV Z= 1.051255 lam= -0.048756 E( 8 )= 5.4149 eV Re[Sigma]= 758.391825 meV Im[Sigma]= 659.335025 meV Z= 1.050885 lam= -0.048421 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -1.9721 eV Re[Sigma]= -472.853981 meV Im[Sigma]= 650.339848 meV Z= 0.948934 lam= 0.053814 E( 4 )= -1.9156 eV Re[Sigma]= -467.783179 meV Im[Sigma]= 642.913951 meV Z= 0.952416 lam= 0.049961 E( 5 )= 1.0012 eV Re[Sigma]= -210.390876 meV Im[Sigma]= 1552.991552 meV Z= 1.122039 lam= -0.108766 E( 6 )= 1.0774 eV Re[Sigma]= -205.169175 meV Im[Sigma]= 1521.575035 meV Z= 1.104706 lam= -0.094782 E( 7 )= 3.9744 eV Re[Sigma]= 809.961204 meV Im[Sigma]= 1709.570821 meV Z= 1.479342 lam= -0.324024 E( 8 )= 4.0150 eV Re[Sigma]= 831.423870 meV Im[Sigma]= 1693.369350 meV Z= 1.495640 lam= -0.331390 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3435 eV Re[Sigma]= -760.808495 meV Im[Sigma]= 1049.072068 meV Z= 1.372440 lam= -0.271371 E( 4 )= -3.3232 eV Re[Sigma]= -752.736044 meV Im[Sigma]= 1055.512750 meV Z= 1.372864 lam= -0.271596 E( 5 )= 0.4956 eV Re[Sigma]= -230.165113 meV Im[Sigma]= 1340.605339 meV Z= 1.115993 lam= -0.103937 E( 6 )= 0.5169 eV Re[Sigma]= -222.555293 meV Im[Sigma]= 1353.760227 meV Z= 1.128847 lam= -0.114141 E( 7 )= 2.3320 eV Re[Sigma]= -236.432982 meV Im[Sigma]= 1458.015365 meV Z= 1.274354 lam= -0.215289 E( 8 )= 2.3326 eV Re[Sigma]= -233.218204 meV Im[Sigma]= 1461.851558 meV Z= 1.277585 lam= -0.217273 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.5847 eV Re[Sigma]= -1030.323683 meV Im[Sigma]= 1862.425714 meV Z= 2.768264 lam= -0.638763 E( 4 )= -3.5736 eV Re[Sigma]= -1013.397723 meV Im[Sigma]= 1888.606807 meV Z= 3.016891 lam= -0.668533 E( 5 )= -0.5093 eV Re[Sigma]= -461.249375 meV Im[Sigma]= 1129.912413 meV Z= 1.069892 lam= -0.065326 E( 6 )= -0.5024 eV Re[Sigma]= -463.481506 meV Im[Sigma]= 1133.628987 meV Z= 1.082023 lam= -0.075805 E( 7 )= 1.3654 eV Re[Sigma]= -70.298962 meV Im[Sigma]= 1703.796485 meV Z= 1.062082 lam= -0.058453 E( 8 )= 1.3921 eV Re[Sigma]= -68.761901 meV Im[Sigma]= 1698.138461 meV Z= 1.033190 lam= -0.032124 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.6640 eV Re[Sigma]= -983.925118 meV Im[Sigma]= 1469.555870 meV Z= 1.353813 lam= -0.261345 E( 4 )= -3.6552 eV Re[Sigma]= -983.863119 meV Im[Sigma]= 1482.261173 meV Z= 1.366518 lam= -0.268213 E( 5 )= -0.0884 eV Re[Sigma]= -247.089638 meV Im[Sigma]= 1541.228579 meV Z= 1.149005 lam= -0.129682 E( 6 )= -0.0674 eV Re[Sigma]= -241.390688 meV Im[Sigma]= 1574.670383 meV Z= 1.165346 lam= -0.141886 E( 7 )= 2.9124 eV Re[Sigma]= 2.571250 meV Im[Sigma]= 2959.068478 meV Z= 7.110330 lam= -0.859360 E( 8 )= 2.9438 eV Re[Sigma]= 37.656334 meV Im[Sigma]= 2986.473317 meV Z= 6.729836 lam= -0.851408 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.2612 eV Re[Sigma]= -691.240981 meV Im[Sigma]= 1682.367639 meV Z= 2.189419 lam= -0.543258 E( 4 )= -3.2360 eV Re[Sigma]= -672.711547 meV Im[Sigma]= 1684.857645 meV Z= 2.115085 lam= -0.527206 E( 5 )= 2.4480 eV Re[Sigma]= -12.790576 meV Im[Sigma]= 2435.930593 meV Z= 2.056821 lam= -0.513813 E( 6 )= 2.4797 eV Re[Sigma]= 2.122089 meV Im[Sigma]= 2476.586536 meV Z= 2.275923 lam= -0.560618 E( 7 )= 5.4117 eV Re[Sigma]= 756.270675 meV Im[Sigma]= 665.802321 meV Z= 1.057217 lam= -0.054120 E( 8 )= 5.4153 eV Re[Sigma]= 754.985868 meV Im[Sigma]= 667.464113 meV Z= 1.057798 lam= -0.054640 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -981.665376 meV Im[Sigma]= 598.222900 meV Z= 0.981265 lam= 0.019093 E( 4 )= -4.6608 eV Re[Sigma]= -985.430797 meV Im[Sigma]= 617.296384 meV Z= 0.985148 lam= 0.015076 E( 5 )= 2.8059 eV Re[Sigma]= 452.732018 meV Im[Sigma]= 3218.796223 meV Z= -8.338435 lam= -1.119927 E( 6 )= 2.8231 eV Re[Sigma]= 481.536433 meV Im[Sigma]= 3238.218701 meV Z= -7.771004 lam= -1.128684 E( 7 )= 4.6195 eV Re[Sigma]= 903.981407 meV Im[Sigma]= 1144.469646 meV Z= 1.008996 lam= -0.008916 E( 8 )= 4.6229 eV Re[Sigma]= 910.615213 meV Im[Sigma]= 1138.660984 meV Z= 1.005240 lam= -0.005213 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.6642 eV Re[Sigma]= -979.475765 meV Im[Sigma]= 1457.273808 meV Z= 1.349159 lam= -0.258797 E( 4 )= -3.6551 eV Re[Sigma]= -979.202643 meV Im[Sigma]= 1470.518193 meV Z= 1.362853 lam= -0.266245 E( 5 )= -0.0880 eV Re[Sigma]= -255.073856 meV Im[Sigma]= 1542.534214 meV Z= 1.148550 lam= -0.129337 E( 6 )= -0.0673 eV Re[Sigma]= -249.840128 meV Im[Sigma]= 1577.181269 meV Z= 1.165734 lam= -0.142172 E( 7 )= 2.9127 eV Re[Sigma]= 4.592933 meV Im[Sigma]= 2956.926898 meV Z= 6.814447 lam= -0.853253 E( 8 )= 2.9432 eV Re[Sigma]= 39.890750 meV Im[Sigma]= 2985.280250 meV Z= 6.516350 lam= -0.846540 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.5842 eV Re[Sigma]= -1028.296114 meV Im[Sigma]= 1845.753927 meV Z= 2.711092 lam= -0.631145 E( 4 )= -3.5739 eV Re[Sigma]= -1011.920590 meV Im[Sigma]= 1873.342764 meV Z= 2.954278 lam= -0.661508 E( 5 )= -0.5088 eV Re[Sigma]= -469.516222 meV Im[Sigma]= 1127.614043 meV Z= 1.066815 lam= -0.062630 E( 6 )= -0.5032 eV Re[Sigma]= -471.632764 meV Im[Sigma]= 1130.834466 meV Z= 1.077898 lam= -0.072269 E( 7 )= 1.3666 eV Re[Sigma]= -69.106544 meV Im[Sigma]= 1696.867683 meV Z= 1.058793 lam= -0.055528 E( 8 )= 1.3911 eV Re[Sigma]= -69.233001 meV Im[Sigma]= 1690.366828 meV Z= 1.030587 lam= -0.029679 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -761.003441 meV Im[Sigma]= 1052.959807 meV Z= 1.375400 lam= -0.272939 E( 4 )= -3.3234 eV Re[Sigma]= -753.084799 meV Im[Sigma]= 1059.047544 meV Z= 1.375704 lam= -0.273100 E( 5 )= 0.4957 eV Re[Sigma]= -229.757341 meV Im[Sigma]= 1337.005519 meV Z= 1.113310 lam= -0.101777 E( 6 )= 0.5169 eV Re[Sigma]= -221.913312 meV Im[Sigma]= 1350.969819 meV Z= 1.126710 lam= -0.112460 E( 7 )= 2.3317 eV Re[Sigma]= -234.524216 meV Im[Sigma]= 1454.696243 meV Z= 1.269723 lam= -0.212427 E( 8 )= 2.3327 eV Re[Sigma]= -232.440859 meV Im[Sigma]= 1457.381899 meV Z= 1.272718 lam= -0.214280 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -1.9716 eV Re[Sigma]= -481.490384 meV Im[Sigma]= 647.703837 meV Z= 0.947143 lam= 0.055807 E( 4 )= -1.9162 eV Re[Sigma]= -476.710367 meV Im[Sigma]= 640.559983 meV Z= 0.950552 lam= 0.052020 E( 5 )= 1.0014 eV Re[Sigma]= -223.842409 meV Im[Sigma]= 1541.509708 meV Z= 1.113999 lam= -0.102333 E( 6 )= 1.0771 eV Re[Sigma]= -218.569807 meV Im[Sigma]= 1511.503410 meV Z= 1.097356 lam= -0.088719 E( 7 )= 3.9745 eV Re[Sigma]= 817.231719 meV Im[Sigma]= 1681.563481 meV Z= 1.444887 lam= -0.307904 E( 8 )= 4.0151 eV Re[Sigma]= 838.059766 meV Im[Sigma]= 1664.984448 meV Z= 1.460532 lam= -0.315318 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 3 )= 1.1979 eV Re[Sigma]= -2.241256 meV Im[Sigma]= 1080.010232 meV Z= 1.046944 lam= -0.044839 E( 4 )= 1.2957 eV Re[Sigma]= 18.474835 meV Im[Sigma]= 1063.924136 meV Z= 1.019926 lam= -0.019537 E( 5 )= 4.0588 eV Re[Sigma]= 666.173358 meV Im[Sigma]= 1915.820674 meV Z= 2.179823 lam= -0.541247 E( 6 )= 4.1716 eV Re[Sigma]= 751.793549 meV Im[Sigma]= 1881.572747 meV Z= 2.052079 lam= -0.512689 E( 7 )= 6.8266 eV Re[Sigma]= 520.837974 meV Im[Sigma]= 195.744526 meV Z= 0.974354 lam= 0.026321 E( 8 )= 6.8356 eV Re[Sigma]= 519.217296 meV Im[Sigma]= 189.331268 meV Z= 0.971992 lam= 0.028815 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -0.0705 eV Re[Sigma]= -422.995746 meV Im[Sigma]= 1063.522460 meV Z= 1.245856 lam= -0.197339 E( 4 )= -0.0218 eV Re[Sigma]= -407.184999 meV Im[Sigma]= 1094.242481 meV Z= 1.258652 lam= -0.205499 E( 5 )= 3.8440 eV Re[Sigma]= 541.740521 meV Im[Sigma]= 1440.264353 meV Z= 1.423816 lam= -0.297662 E( 6 )= 3.8984 eV Re[Sigma]= 557.932798 meV Im[Sigma]= 1433.946428 meV Z= 1.443317 lam= -0.307151 E( 7 )= 5.5422 eV Re[Sigma]= 840.749065 meV Im[Sigma]= 779.287672 meV Z= 1.100444 lam= -0.091276 E( 8 )= 5.5435 eV Re[Sigma]= 842.818070 meV Im[Sigma]= 786.490501 meV Z= 1.102888 lam= -0.093289 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -1.9719 eV Re[Sigma]= -474.571514 meV Im[Sigma]= 649.785794 meV Z= 0.949350 lam= 0.053352 E( 4 )= -1.9156 eV Re[Sigma]= -469.987527 meV Im[Sigma]= 642.408312 meV Z= 0.952741 lam= 0.049603 E( 5 )= 1.0012 eV Re[Sigma]= -212.092335 meV Im[Sigma]= 1550.027713 meV Z= 1.124013 lam= -0.110331 E( 6 )= 1.0770 eV Re[Sigma]= -204.776071 meV Im[Sigma]= 1516.737346 meV Z= 1.105691 lam= -0.095588 E( 7 )= 3.9747 eV Re[Sigma]= 819.613216 meV Im[Sigma]= 1655.323903 meV Z= 1.437809 lam= -0.304497 E( 8 )= 4.0147 eV Re[Sigma]= 840.434358 meV Im[Sigma]= 1639.767362 meV Z= 1.452394 lam= -0.311482 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.6636 eV Re[Sigma]= -982.667274 meV Im[Sigma]= 1455.155887 meV Z= 1.346203 lam= -0.257170 E( 4 )= -3.6553 eV Re[Sigma]= -982.656854 meV Im[Sigma]= 1469.466687 meV Z= 1.360135 lam= -0.264779 E( 5 )= -0.0879 eV Re[Sigma]= -258.258250 meV Im[Sigma]= 1540.713791 meV Z= 1.147020 lam= -0.128176 E( 6 )= -0.0676 eV Re[Sigma]= -253.361647 meV Im[Sigma]= 1575.759732 meV Z= 1.164357 lam= -0.141157 E( 7 )= 2.9132 eV Re[Sigma]= 2.258827 meV Im[Sigma]= 2952.911553 meV Z= 6.639732 lam= -0.849392 E( 8 )= 2.9425 eV Re[Sigma]= 36.713302 meV Im[Sigma]= 2979.504999 meV Z= 6.362972 lam= -0.842841 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -1.9720 eV Re[Sigma]= -471.798743 meV Im[Sigma]= 645.770012 meV Z= 0.947538 lam= 0.055367 E( 4 )= -1.9154 eV Re[Sigma]= -466.483908 meV Im[Sigma]= 638.008206 meV Z= 0.950770 lam= 0.051779 E( 5 )= 1.0011 eV Re[Sigma]= -211.141665 meV Im[Sigma]= 1552.898472 meV Z= 1.120948 lam= -0.107898 E( 6 )= 1.0771 eV Re[Sigma]= -205.978461 meV Im[Sigma]= 1521.303182 meV Z= 1.103734 lam= -0.093984 E( 7 )= 3.9747 eV Re[Sigma]= 809.803600 meV Im[Sigma]= 1718.826028 meV Z= 1.489862 lam= -0.328797 E( 8 )= 4.0145 eV Re[Sigma]= 830.996366 meV Im[Sigma]= 1703.855925 meV Z= 1.507268 lam= -0.336548 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -0.0705 eV Re[Sigma]= -420.192405 meV Im[Sigma]= 1052.070859 meV Z= 1.243909 lam= -0.196083 E( 4 )= -0.0218 eV Re[Sigma]= -404.298094 meV Im[Sigma]= 1083.298596 meV Z= 1.257045 lam= -0.204484 E( 5 )= 3.8445 eV Re[Sigma]= 533.969106 meV Im[Sigma]= 1448.167634 meV Z= 1.419847 lam= -0.295699 E( 6 )= 3.8983 eV Re[Sigma]= 549.806441 meV Im[Sigma]= 1441.096401 meV Z= 1.436585 lam= -0.303905 E( 7 )= 5.5416 eV Re[Sigma]= 861.844177 meV Im[Sigma]= 768.548175 meV Z= 1.091306 lam= -0.083667 E( 8 )= 5.5437 eV Re[Sigma]= 862.897149 meV Im[Sigma]= 776.293241 meV Z= 1.094164 lam= -0.086060 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -592.744178 meV Im[Sigma]= 538.340821 meV Z= 0.927967 lam= 0.077624 E( 4 )= -1.9925 eV Re[Sigma]= -592.765783 meV Im[Sigma]= 538.403670 meV Z= 0.928036 lam= 0.077544 E( 5 )= 4.6996 eV Re[Sigma]= 814.902434 meV Im[Sigma]= 907.929186 meV Z= 1.053344 lam= -0.050642 E( 6 )= 4.6996 eV Re[Sigma]= 815.074753 meV Im[Sigma]= 907.664349 meV Z= 1.053161 lam= -0.050477 E( 7 )= 6.6655 eV Re[Sigma]= 754.690667 meV Im[Sigma]= 252.773710 meV Z= 0.934537 lam= 0.070049 E( 8 )= 6.6655 eV Re[Sigma]= 754.769188 meV Im[Sigma]= 252.889269 meV Z= 0.934552 lam= 0.070032 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -0.0700 eV Re[Sigma]= -423.974518 meV Im[Sigma]= 1057.023178 meV Z= 1.245497 lam= -0.197108 E( 4 )= -0.0221 eV Re[Sigma]= -408.042554 meV Im[Sigma]= 1088.789083 meV Z= 1.258770 lam= -0.205574 E( 5 )= 3.8445 eV Re[Sigma]= 532.177559 meV Im[Sigma]= 1424.271133 meV Z= 1.398085 lam= -0.284736 E( 6 )= 3.8978 eV Re[Sigma]= 547.764482 meV Im[Sigma]= 1418.494684 meV Z= 1.417292 lam= -0.294429 E( 7 )= 5.5421 eV Re[Sigma]= 847.144003 meV Im[Sigma]= 784.473154 meV Z= 1.101810 lam= -0.092402 E( 8 )= 5.5437 eV Re[Sigma]= 848.894670 meV Im[Sigma]= 790.896082 meV Z= 1.104577 lam= -0.094676 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -0.6549 eV Re[Sigma]= -414.852905 meV Im[Sigma]= 513.792853 meV Z= 0.928101 lam= 0.077469 E( 4 )= -0.6549 eV Re[Sigma]= -414.852517 meV Im[Sigma]= 513.947986 meV Z= 0.928219 lam= 0.077331 E( 5 )= 2.1592 eV Re[Sigma]= 86.224062 meV Im[Sigma]= 865.812731 meV Z= 1.085655 lam= -0.078897 E( 6 )= 2.1592 eV Re[Sigma]= 85.997749 meV Im[Sigma]= 866.031156 meV Z= 1.085497 lam= -0.078763 E( 7 )= 3.3797 eV Re[Sigma]= 296.049270 meV Im[Sigma]= 1133.747781 meV Z= 1.235280 lam= -0.190467 E( 8 )= 3.3797 eV Re[Sigma]= 296.147807 meV Im[Sigma]= 1133.354020 meV Z= 1.235313 lam= -0.190488 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3430 eV Re[Sigma]= -759.134679 meV Im[Sigma]= 1056.506576 meV Z= 1.378036 lam= -0.274329 E( 4 )= -3.3236 eV Re[Sigma]= -751.719000 meV Im[Sigma]= 1063.882284 meV Z= 1.379443 lam= -0.275070 E( 5 )= 0.4955 eV Re[Sigma]= -231.400298 meV Im[Sigma]= 1339.677468 meV Z= 1.113859 lam= -0.102220 E( 6 )= 0.5175 eV Re[Sigma]= -222.962687 meV Im[Sigma]= 1354.251125 meV Z= 1.127894 lam= -0.113391 E( 7 )= 2.3309 eV Re[Sigma]= -220.852414 meV Im[Sigma]= 1436.238214 meV Z= 1.268331 lam= -0.211562 E( 8 )= 2.3331 eV Re[Sigma]= -215.944155 meV Im[Sigma]= 1441.318315 meV Z= 1.272579 lam= -0.214194 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -418.006916 meV Im[Sigma]= 1416.648192 meV Z= 0.989234 lam= 0.010883 E( 4 )= -2.6397 eV Re[Sigma]= -414.053890 meV Im[Sigma]= 1429.192702 meV Z= 0.992882 lam= 0.007169 E( 5 )= -1.5697 eV Re[Sigma]= -269.923075 meV Im[Sigma]= 1016.234007 meV Z= 0.763210 lam= 0.310255 E( 6 )= -1.5697 eV Re[Sigma]= -248.672789 meV Im[Sigma]= 1005.463680 meV Z= 0.761151 lam= 0.313800 E( 7 )= 3.4484 eV Re[Sigma]= 803.359369 meV Im[Sigma]= 2093.878514 meV Z= 1.813170 lam= -0.448480 E( 8 )= 3.4484 eV Re[Sigma]= 806.528965 meV Im[Sigma]= 2103.493513 meV Z= 1.832169 lam= -0.454199 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -693.738424 meV Im[Sigma]= 1675.229586 meV Z= 2.181164 lam= -0.541529 E( 4 )= -3.2357 eV Re[Sigma]= -674.939107 meV Im[Sigma]= 1677.083319 meV Z= 2.103999 lam= -0.524715 E( 5 )= 2.4484 eV Re[Sigma]= -21.241715 meV Im[Sigma]= 2446.116727 meV Z= 2.095169 lam= -0.522711 E( 6 )= 2.4800 eV Re[Sigma]= -6.714414 meV Im[Sigma]= 2486.734203 meV Z= 2.316159 lam= -0.568251 E( 7 )= 5.4118 eV Re[Sigma]= 749.955189 meV Im[Sigma]= 657.837540 meV Z= 1.054061 lam= -0.051289 E( 8 )= 5.4145 eV Re[Sigma]= 749.868095 meV Im[Sigma]= 659.185049 meV Z= 1.054309 lam= -0.051511 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -0.0702 eV Re[Sigma]= -416.180877 meV Im[Sigma]= 1049.137005 meV Z= 1.244502 lam= -0.196466 E( 4 )= -0.0219 eV Re[Sigma]= -401.468799 meV Im[Sigma]= 1078.594233 meV Z= 1.256630 lam= -0.204221 E( 5 )= 3.8446 eV Re[Sigma]= 542.384616 meV Im[Sigma]= 1468.838134 meV Z= 1.435866 lam= -0.303556 E( 6 )= 3.8983 eV Re[Sigma]= 558.314627 meV Im[Sigma]= 1464.975356 meV Z= 1.459691 lam= -0.314924 E( 7 )= 5.5415 eV Re[Sigma]= 831.257360 meV Im[Sigma]= 761.113929 meV Z= 1.096444 lam= -0.087961 E( 8 )= 5.5436 eV Re[Sigma]= 832.345439 meV Im[Sigma]= 768.920457 meV Z= 1.099606 lam= -0.090584 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 3 )= 1.1982 eV Re[Sigma]= -11.822148 meV Im[Sigma]= 1072.660799 meV Z= 1.042321 lam= -0.040603 E( 4 )= 1.2957 eV Re[Sigma]= 9.022638 meV Im[Sigma]= 1057.908293 meV Z= 1.015683 lam= -0.015441 E( 5 )= 4.0593 eV Re[Sigma]= 656.104230 meV Im[Sigma]= 1890.297828 meV Z= 2.135573 lam= -0.531742 E( 6 )= 4.1711 eV Re[Sigma]= 739.487927 meV Im[Sigma]= 1855.734467 meV Z= 2.010723 lam= -0.502666 E( 7 )= 6.8267 eV Re[Sigma]= 514.781756 meV Im[Sigma]= 192.791584 meV Z= 0.975072 lam= 0.025565 E( 8 )= 6.8351 eV Re[Sigma]= 513.325079 meV Im[Sigma]= 185.535792 meV Z= 0.972190 lam= 0.028606 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -0.0706 eV Re[Sigma]= -425.089730 meV Im[Sigma]= 1052.891712 meV Z= 1.242122 lam= -0.194926 E( 4 )= -0.0217 eV Re[Sigma]= -409.273048 meV Im[Sigma]= 1085.963750 meV Z= 1.255901 lam= -0.203759 E( 5 )= 3.8444 eV Re[Sigma]= 533.596452 meV Im[Sigma]= 1428.693852 meV Z= 1.400867 lam= -0.286157 E( 6 )= 3.8982 eV Re[Sigma]= 548.703016 meV Im[Sigma]= 1422.105703 meV Z= 1.418951 lam= -0.295254 E( 7 )= 5.5422 eV Re[Sigma]= 848.179759 meV Im[Sigma]= 786.671962 meV Z= 1.104008 lam= -0.094209 E( 8 )= 5.5434 eV Re[Sigma]= 849.442769 meV Im[Sigma]= 793.454992 meV Z= 1.106933 lam= -0.096603 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -1.9717 eV Re[Sigma]= -475.814785 meV Im[Sigma]= 650.370289 meV Z= 0.947013 lam= 0.055952 E( 4 )= -1.9160 eV Re[Sigma]= -471.256587 meV Im[Sigma]= 642.882216 meV Z= 0.950596 lam= 0.051971 E( 5 )= 1.0009 eV Re[Sigma]= -222.357932 meV Im[Sigma]= 1559.440826 meV Z= 1.122848 lam= -0.109407 E( 6 )= 1.0774 eV Re[Sigma]= -215.823896 meV Im[Sigma]= 1527.906270 meV Z= 1.103974 lam= -0.094182 E( 7 )= 3.9744 eV Re[Sigma]= 818.717074 meV Im[Sigma]= 1669.961754 meV Z= 1.448013 lam= -0.309399 E( 8 )= 4.0151 eV Re[Sigma]= 839.696111 meV Im[Sigma]= 1652.241329 meV Z= 1.463334 lam= -0.316629 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -983.510038 meV Im[Sigma]= 1471.869700 meV Z= 1.353983 lam= -0.261439 E( 4 )= -3.6549 eV Re[Sigma]= -983.757036 meV Im[Sigma]= 1485.105807 meV Z= 1.367731 lam= -0.268862 E( 5 )= -0.0877 eV Re[Sigma]= -259.128860 meV Im[Sigma]= 1536.591267 meV Z= 1.143522 lam= -0.125509 E( 6 )= -0.0675 eV Re[Sigma]= -252.913454 meV Im[Sigma]= 1569.581293 meV Z= 1.159941 lam= -0.137887 E( 7 )= 2.9126 eV Re[Sigma]= -3.169332 meV Im[Sigma]= 2939.801479 meV Z= 6.456876 lam= -0.845126 E( 8 )= 2.9430 eV Re[Sigma]= 31.386323 meV Im[Sigma]= 2969.176272 meV Z= 6.211608 lam= -0.839011 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -1.9718 eV Re[Sigma]= -479.100220 meV Im[Sigma]= 646.958775 meV Z= 0.947420 lam= 0.055498 E( 4 )= -1.9160 eV Re[Sigma]= -474.473241 meV Im[Sigma]= 638.879361 meV Z= 0.950917 lam= 0.051617 E( 5 )= 1.0018 eV Re[Sigma]= -233.720004 meV Im[Sigma]= 1548.539402 meV Z= 1.121842 lam= -0.108609 E( 6 )= 1.0772 eV Re[Sigma]= -227.710240 meV Im[Sigma]= 1519.947557 meV Z= 1.104755 lam= -0.094822 E( 7 )= 3.9750 eV Re[Sigma]= 802.398231 meV Im[Sigma]= 1686.180312 meV Z= 1.462577 lam= -0.316275 E( 8 )= 4.0140 eV Re[Sigma]= 822.480475 meV Im[Sigma]= 1670.914108 meV Z= 1.480708 lam= -0.324647 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -0.6549 eV Re[Sigma]= -418.009275 meV Im[Sigma]= 505.950086 meV Z= 0.922156 lam= 0.084415 E( 4 )= -0.6549 eV Re[Sigma]= -418.203559 meV Im[Sigma]= 506.242592 meV Z= 0.922178 lam= 0.084389 E( 5 )= 2.1592 eV Re[Sigma]= 94.041669 meV Im[Sigma]= 907.938899 meV Z= 1.102729 lam= -0.093159 E( 6 )= 2.1592 eV Re[Sigma]= 94.056055 meV Im[Sigma]= 907.401062 meV Z= 1.102485 lam= -0.092958 E( 7 )= 3.3797 eV Re[Sigma]= 272.278207 meV Im[Sigma]= 1146.241811 meV Z= 1.247611 lam= -0.198468 E( 8 )= 3.3797 eV Re[Sigma]= 272.359121 meV Im[Sigma]= 1146.493975 meV Z= 1.247900 lam= -0.198654 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -0.0698 eV Re[Sigma]= -420.157963 meV Im[Sigma]= 1050.869660 meV Z= 1.243035 lam= -0.195517 E( 4 )= -0.0222 eV Re[Sigma]= -404.955002 meV Im[Sigma]= 1079.895585 meV Z= 1.255150 lam= -0.203282 E( 5 )= 3.8448 eV Re[Sigma]= 545.367931 meV Im[Sigma]= 1465.138640 meV Z= 1.429930 lam= -0.300665 E( 6 )= 3.8978 eV Re[Sigma]= 560.872219 meV Im[Sigma]= 1461.364588 meV Z= 1.454375 lam= -0.312419 E( 7 )= 5.5416 eV Re[Sigma]= 832.787836 meV Im[Sigma]= 759.087228 meV Z= 1.093752 lam= -0.085716 E( 8 )= 5.5437 eV Re[Sigma]= 833.398506 meV Im[Sigma]= 767.016199 meV Z= 1.097163 lam= -0.088558 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -594.172017 meV Im[Sigma]= 538.446560 meV Z= 0.927974 lam= 0.077616 E( 4 )= -1.9925 eV Re[Sigma]= -594.328895 meV Im[Sigma]= 538.580884 meV Z= 0.928085 lam= 0.077487 E( 5 )= 4.6996 eV Re[Sigma]= 821.348360 meV Im[Sigma]= 906.882742 meV Z= 1.052707 lam= -0.050068 E( 6 )= 4.6996 eV Re[Sigma]= 821.359639 meV Im[Sigma]= 906.791209 meV Z= 1.052627 lam= -0.049996 E( 7 )= 6.6655 eV Re[Sigma]= 758.020289 meV Im[Sigma]= 253.802970 meV Z= 0.934102 lam= 0.070547 E( 8 )= 6.6655 eV Re[Sigma]= 758.064874 meV Im[Sigma]= 254.078841 meV Z= 0.934148 lam= 0.070494 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.2612 eV Re[Sigma]= -690.293106 meV Im[Sigma]= 1676.444847 meV Z= 2.177104 lam= -0.540674 E( 4 )= -3.2361 eV Re[Sigma]= -671.949017 meV Im[Sigma]= 1679.578001 meV Z= 2.105949 lam= -0.525155 E( 5 )= 2.4481 eV Re[Sigma]= -26.971564 meV Im[Sigma]= 2414.971135 meV Z= 2.008652 lam= -0.502154 E( 6 )= 2.4798 eV Re[Sigma]= -13.121159 meV Im[Sigma]= 2454.573292 meV Z= 2.211136 lam= -0.547744 E( 7 )= 5.4116 eV Re[Sigma]= 763.572525 meV Im[Sigma]= 659.908319 meV Z= 1.052698 lam= -0.050060 E( 8 )= 5.4152 eV Re[Sigma]= 762.364241 meV Im[Sigma]= 660.572194 meV Z= 1.052789 lam= -0.050142 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -413.896087 meV Im[Sigma]= 1431.732438 meV Z= 0.990154 lam= 0.009944 E( 4 )= -2.6397 eV Re[Sigma]= -409.227605 meV Im[Sigma]= 1445.704911 meV Z= 0.994166 lam= 0.005868 E( 5 )= -1.5697 eV Re[Sigma]= -255.198813 meV Im[Sigma]= 1021.505433 meV Z= 0.762562 lam= 0.311369 E( 6 )= -1.5697 eV Re[Sigma]= -249.504176 meV Im[Sigma]= 1018.835845 meV Z= 0.762132 lam= 0.312108 E( 7 )= 3.4484 eV Re[Sigma]= 831.931258 meV Im[Sigma]= 2111.856512 meV Z= 1.834176 lam= -0.454796 E( 8 )= 3.4484 eV Re[Sigma]= 832.115210 meV Im[Sigma]= 2112.246018 meV Z= 1.834519 lam= -0.454898 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.3433 eV Re[Sigma]= -765.060649 meV Im[Sigma]= 1047.420304 meV Z= 1.372117 lam= -0.271199 E( 4 )= -3.3234 eV Re[Sigma]= -757.402660 meV Im[Sigma]= 1052.946997 meV Z= 1.371245 lam= -0.270736 E( 5 )= 0.4963 eV Re[Sigma]= -219.719703 meV Im[Sigma]= 1346.250578 meV Z= 1.119544 lam= -0.106780 E( 6 )= 0.5167 eV Re[Sigma]= -212.986071 meV Im[Sigma]= 1360.354352 meV Z= 1.132962 lam= -0.117358 E( 7 )= 2.3319 eV Re[Sigma]= -232.629276 meV Im[Sigma]= 1451.659806 meV Z= 1.283919 lam= -0.221135 E( 8 )= 2.3323 eV Re[Sigma]= -231.586270 meV Im[Sigma]= 1452.460521 meV Z= 1.285634 lam= -0.222173 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.3433 eV Re[Sigma]= -764.086047 meV Im[Sigma]= 1053.866822 meV Z= 1.378016 lam= -0.274319 E( 4 )= -3.3235 eV Re[Sigma]= -756.588928 meV Im[Sigma]= 1059.584355 meV Z= 1.377276 lam= -0.273929 E( 5 )= 0.4963 eV Re[Sigma]= -218.394309 meV Im[Sigma]= 1339.961826 meV Z= 1.117398 lam= -0.105064 E( 6 )= 0.5163 eV Re[Sigma]= -211.590350 meV Im[Sigma]= 1352.785631 meV Z= 1.129952 lam= -0.115007 E( 7 )= 2.3321 eV Re[Sigma]= -228.607176 meV Im[Sigma]= 1446.614428 meV Z= 1.281662 lam= -0.219763 E( 8 )= 2.3326 eV Re[Sigma]= -230.337454 meV Im[Sigma]= 1444.252569 meV Z= 1.281381 lam= -0.219592 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -1.9718 eV Re[Sigma]= -476.324192 meV Im[Sigma]= 647.095530 meV Z= 0.947486 lam= 0.055424 E( 4 )= -1.9161 eV Re[Sigma]= -472.140895 meV Im[Sigma]= 638.881686 meV Z= 0.950783 lam= 0.051765 E( 5 )= 1.0020 eV Re[Sigma]= -232.363957 meV Im[Sigma]= 1544.549082 meV Z= 1.117390 lam= -0.105057 E( 6 )= 1.0769 eV Re[Sigma]= -226.915154 meV Im[Sigma]= 1514.264451 meV Z= 1.099556 lam= -0.090542 E( 7 )= 3.9746 eV Re[Sigma]= 807.670116 meV Im[Sigma]= 1676.933125 meV Z= 1.454957 lam= -0.312694 E( 8 )= 4.0146 eV Re[Sigma]= 828.054224 meV Im[Sigma]= 1660.085161 meV Z= 1.471641 lam= -0.320487 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -693.977779 meV Im[Sigma]= 1674.800826 meV Z= 2.179038 lam= -0.541082 E( 4 )= -3.2356 eV Re[Sigma]= -675.586454 meV Im[Sigma]= 1677.411047 meV Z= 2.104661 lam= -0.524864 E( 5 )= 2.4481 eV Re[Sigma]= -18.681001 meV Im[Sigma]= 2449.316975 meV Z= 2.099101 lam= -0.523606 E( 6 )= 2.4799 eV Re[Sigma]= -4.074986 meV Im[Sigma]= 2488.212703 meV Z= 2.320781 lam= -0.569111 E( 7 )= 5.4117 eV Re[Sigma]= 752.397786 meV Im[Sigma]= 659.399258 meV Z= 1.054756 lam= -0.051913 E( 8 )= 5.4149 eV Re[Sigma]= 752.243749 meV Im[Sigma]= 660.282893 meV Z= 1.054682 lam= -0.051847 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6740 eV Re[Sigma]= -980.701450 meV Im[Sigma]= 596.246067 meV Z= 0.981151 lam= 0.019211 E( 4 )= -4.6608 eV Re[Sigma]= -984.724784 meV Im[Sigma]= 615.368027 meV Z= 0.985075 lam= 0.015152 E( 5 )= 2.8057 eV Re[Sigma]= 444.787475 meV Im[Sigma]= 3189.322135 meV Z= -9.215952 lam= -1.108508 E( 6 )= 2.8225 eV Re[Sigma]= 472.313903 meV Im[Sigma]= 3209.303561 meV Z= -8.524294 lam= -1.117312 E( 7 )= 4.6198 eV Re[Sigma]= 921.363235 meV Im[Sigma]= 1148.408293 meV Z= 1.003524 lam= -0.003512 E( 8 )= 4.6233 eV Re[Sigma]= 926.339432 meV Im[Sigma]= 1142.373180 meV Z= 1.000133 lam= -0.000133 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -983.744120 meV Im[Sigma]= 1467.892140 meV Z= 1.355705 lam= -0.262376 E( 4 )= -3.6552 eV Re[Sigma]= -983.562744 meV Im[Sigma]= 1481.104093 meV Z= 1.369121 lam= -0.269605 E( 5 )= -0.0885 eV Re[Sigma]= -248.374980 meV Im[Sigma]= 1545.603721 meV Z= 1.150644 lam= -0.130921 E( 6 )= -0.0673 eV Re[Sigma]= -243.373729 meV Im[Sigma]= 1578.852159 meV Z= 1.167773 lam= -0.143669 E( 7 )= 2.9119 eV Re[Sigma]= -11.230859 meV Im[Sigma]= 2966.074115 meV Z= 6.883924 lam= -0.854734 E( 8 )= 2.9445 eV Re[Sigma]= 25.115479 meV Im[Sigma]= 2998.800104 meV Z= 6.632346 lam= -0.849224 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.5850 eV Re[Sigma]= -1031.108269 meV Im[Sigma]= 1860.881497 meV Z= 2.767856 lam= -0.638709 E( 4 )= -3.5736 eV Re[Sigma]= -1014.770222 meV Im[Sigma]= 1889.829201 meV Z= 3.028854 lam= -0.669842 E( 5 )= -0.5095 eV Re[Sigma]= -461.316997 meV Im[Sigma]= 1135.133786 meV Z= 1.069019 lam= -0.064563 E( 6 )= -0.5018 eV Re[Sigma]= -463.511059 meV Im[Sigma]= 1139.101382 meV Z= 1.082471 lam= -0.076188 E( 7 )= 1.3650 eV Re[Sigma]= -50.582285 meV Im[Sigma]= 1683.574878 meV Z= 1.061345 lam= -0.057799 E( 8 )= 1.3926 eV Re[Sigma]= -51.801155 meV Im[Sigma]= 1675.457899 meV Z= 1.031061 lam= -0.030125 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -416.651205 meV Im[Sigma]= 1429.610153 meV Z= 0.990387 lam= 0.009706 E( 4 )= -2.6397 eV Re[Sigma]= -412.436504 meV Im[Sigma]= 1442.141304 meV Z= 0.994031 lam= 0.006004 E( 5 )= -1.5697 eV Re[Sigma]= -238.605040 meV Im[Sigma]= 1002.909452 meV Z= 0.758514 lam= 0.318367 E( 6 )= -1.5697 eV Re[Sigma]= -258.630365 meV Im[Sigma]= 1013.214419 meV Z= 0.760536 lam= 0.314862 E( 7 )= 3.4484 eV Re[Sigma]= 831.863663 meV Im[Sigma]= 2113.832487 meV Z= 1.840389 lam= -0.456637 E( 8 )= 3.4484 eV Re[Sigma]= 829.796320 meV Im[Sigma]= 2108.702907 meV Z= 1.830638 lam= -0.453742 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -981.675937 meV Im[Sigma]= 1470.543723 meV Z= 1.353914 lam= -0.261401 E( 4 )= -3.6551 eV Re[Sigma]= -982.290211 meV Im[Sigma]= 1483.386074 meV Z= 1.367236 lam= -0.268598 E( 5 )= -0.0885 eV Re[Sigma]= -258.213217 meV Im[Sigma]= 1533.452853 meV Z= 1.140516 lam= -0.123204 E( 6 )= -0.0671 eV Re[Sigma]= -252.124947 meV Im[Sigma]= 1567.281288 meV Z= 1.157517 lam= -0.136082 E( 7 )= 2.9121 eV Re[Sigma]= 1.307236 meV Im[Sigma]= 2926.526231 meV Z= 6.274018 lam= -0.840613 E( 8 )= 2.9439 eV Re[Sigma]= 36.785477 meV Im[Sigma]= 2956.908125 meV Z= 6.037650 lam= -0.834373 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -417.734712 meV Im[Sigma]= 1414.950585 meV Z= 0.988781 lam= 0.011347 E( 4 )= -2.6397 eV Re[Sigma]= -412.783879 meV Im[Sigma]= 1430.977409 meV Z= 0.993636 lam= 0.006404 E( 5 )= -1.5697 eV Re[Sigma]= -270.595269 meV Im[Sigma]= 1015.683791 meV Z= 0.762663 lam= 0.311194 E( 6 )= -1.5697 eV Re[Sigma]= -251.695622 meV Im[Sigma]= 1005.725989 meV Z= 0.760755 lam= 0.314484 E( 7 )= 3.4484 eV Re[Sigma]= 812.490994 meV Im[Sigma]= 2110.146916 meV Z= 1.838421 lam= -0.456055 E( 8 )= 3.4484 eV Re[Sigma]= 809.536825 meV Im[Sigma]= 2100.792322 meV Z= 1.819098 lam= -0.450277 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.6637 eV Re[Sigma]= -982.917459 meV Im[Sigma]= 1464.358153 meV Z= 1.349119 lam= -0.258775 E( 4 )= -3.6555 eV Re[Sigma]= -983.787792 meV Im[Sigma]= 1476.555348 meV Z= 1.361200 lam= -0.265354 E( 5 )= -0.0889 eV Re[Sigma]= -259.451383 meV Im[Sigma]= 1534.530937 meV Z= 1.147965 lam= -0.128894 E( 6 )= -0.0671 eV Re[Sigma]= -254.267796 meV Im[Sigma]= 1569.169285 meV Z= 1.164749 lam= -0.141446 E( 7 )= 2.9121 eV Re[Sigma]= 4.557957 meV Im[Sigma]= 2986.667121 meV Z= 7.945608 lam= -0.874144 E( 8 )= 2.9443 eV Re[Sigma]= 40.675265 meV Im[Sigma]= 3015.325576 meV Z= 7.472512 lam= -0.866176 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -408.154719 meV Im[Sigma]= 1436.225597 meV Z= 0.995394 lam= 0.004627 E( 4 )= -2.6397 eV Re[Sigma]= -411.445942 meV Im[Sigma]= 1427.224238 meV Z= 0.993306 lam= 0.006739 E( 5 )= -1.5697 eV Re[Sigma]= -273.447295 meV Im[Sigma]= 1013.089755 meV Z= 0.765088 lam= 0.307040 E( 6 )= -1.5697 eV Re[Sigma]= -269.090031 meV Im[Sigma]= 1010.452327 meV Z= 0.764600 lam= 0.307873 E( 7 )= 3.4484 eV Re[Sigma]= 828.116710 meV Im[Sigma]= 2142.129472 meV Z= 1.877965 lam= -0.467509 E( 8 )= 3.4484 eV Re[Sigma]= 827.225031 meV Im[Sigma]= 2139.031572 meV Z= 1.871566 lam= -0.465688 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.6640 eV Re[Sigma]= -982.325212 meV Im[Sigma]= 1466.188283 meV Z= 1.353952 lam= -0.261421 E( 4 )= -3.6552 eV Re[Sigma]= -982.067731 meV Im[Sigma]= 1479.487939 meV Z= 1.367495 lam= -0.268736 E( 5 )= -0.0880 eV Re[Sigma]= -245.576360 meV Im[Sigma]= 1543.647144 meV Z= 1.149150 lam= -0.129792 E( 6 )= -0.0675 eV Re[Sigma]= -239.711073 meV Im[Sigma]= 1575.764245 meV Z= 1.165787 lam= -0.142210 E( 7 )= 2.9118 eV Re[Sigma]= -11.386674 meV Im[Sigma]= 2949.289923 meV Z= 6.379816 lam= -0.843256 E( 8 )= 2.9441 eV Re[Sigma]= 24.303020 meV Im[Sigma]= 2981.562415 meV Z= 6.173416 lam= -0.838015 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.2613 eV Re[Sigma]= -691.312519 meV Im[Sigma]= 1676.850621 meV Z= 2.176942 lam= -0.540640 E( 4 )= -3.2358 eV Re[Sigma]= -672.772331 meV Im[Sigma]= 1679.866850 meV Z= 2.104677 lam= -0.524868 E( 5 )= 2.4481 eV Re[Sigma]= -25.029560 meV Im[Sigma]= 2413.082755 meV Z= 2.015072 lam= -0.503740 E( 6 )= 2.4800 eV Re[Sigma]= -10.469095 meV Im[Sigma]= 2452.054034 meV Z= 2.217586 lam= -0.549059 E( 7 )= 5.4114 eV Re[Sigma]= 763.974983 meV Im[Sigma]= 667.431200 meV Z= 1.056367 lam= -0.053359 E( 8 )= 5.4151 eV Re[Sigma]= 762.706651 meV Im[Sigma]= 668.934093 meV Z= 1.056845 lam= -0.053788 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -1.9716 eV Re[Sigma]= -475.856387 meV Im[Sigma]= 653.558528 meV Z= 0.947067 lam= 0.055891 E( 4 )= -1.9159 eV Re[Sigma]= -470.993266 meV Im[Sigma]= 645.405390 meV Z= 0.950623 lam= 0.051942 E( 5 )= 1.0009 eV Re[Sigma]= -227.708860 meV Im[Sigma]= 1555.549275 meV Z= 1.121049 lam= -0.107978 E( 6 )= 1.0774 eV Re[Sigma]= -221.703750 meV Im[Sigma]= 1526.010201 meV Z= 1.103952 lam= -0.094164 E( 7 )= 3.9744 eV Re[Sigma]= 818.479581 meV Im[Sigma]= 1667.144620 meV Z= 1.445463 lam= -0.308180 E( 8 )= 4.0152 eV Re[Sigma]= 839.451870 meV Im[Sigma]= 1649.687078 meV Z= 1.461363 lam= -0.315707 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.3433 eV Re[Sigma]= -760.579804 meV Im[Sigma]= 1054.218418 meV Z= 1.375374 lam= -0.272925 E( 4 )= -3.3232 eV Re[Sigma]= -752.785685 meV Im[Sigma]= 1061.101270 meV Z= 1.376070 lam= -0.273293 E( 5 )= 0.4957 eV Re[Sigma]= -233.375886 meV Im[Sigma]= 1342.550784 meV Z= 1.116053 lam= -0.103986 E( 6 )= 0.5169 eV Re[Sigma]= -225.169102 meV Im[Sigma]= 1356.303590 meV Z= 1.130088 lam= -0.115113 E( 7 )= 2.3318 eV Re[Sigma]= -217.090564 meV Im[Sigma]= 1443.061623 meV Z= 1.273331 lam= -0.214658 E( 8 )= 2.3325 eV Re[Sigma]= -212.729762 meV Im[Sigma]= 1449.007829 meV Z= 1.277979 lam= -0.217514 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.5841 eV Re[Sigma]= -1029.557512 meV Im[Sigma]= 1857.032503 meV Z= 2.756054 lam= -0.637162 E( 4 )= -3.5738 eV Re[Sigma]= -1014.693888 meV Im[Sigma]= 1885.101574 meV Z= 3.002283 lam= -0.666920 E( 5 )= -0.5086 eV Re[Sigma]= -458.482129 meV Im[Sigma]= 1113.943467 meV Z= 1.061733 lam= -0.058144 E( 6 )= -0.5036 eV Re[Sigma]= -460.592211 meV Im[Sigma]= 1116.398800 meV Z= 1.072233 lam= -0.067367 E( 7 )= 1.3670 eV Re[Sigma]= -63.094238 meV Im[Sigma]= 1695.414472 meV Z= 1.067354 lam= -0.063103 E( 8 )= 1.3905 eV Re[Sigma]= -61.628511 meV Im[Sigma]= 1689.654977 meV Z= 1.038774 lam= -0.037327 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.6636 eV Re[Sigma]= -983.996103 meV Im[Sigma]= 1465.301688 meV Z= 1.349655 lam= -0.259070 E( 4 )= -3.6554 eV Re[Sigma]= -984.618923 meV Im[Sigma]= 1478.196489 meV Z= 1.362321 lam= -0.265959 E( 5 )= -0.0888 eV Re[Sigma]= -257.178913 meV Im[Sigma]= 1537.267112 meV Z= 1.147677 lam= -0.128675 E( 6 )= -0.0671 eV Re[Sigma]= -252.022137 meV Im[Sigma]= 1572.827138 meV Z= 1.164832 lam= -0.141507 E( 7 )= 2.9127 eV Re[Sigma]= 0.115142 meV Im[Sigma]= 2977.315231 meV Z= 7.596970 lam= -0.868369 E( 8 )= 2.9435 eV Re[Sigma]= 35.233481 meV Im[Sigma]= 3005.040011 meV Z= 7.180359 lam= -0.860731 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -4.6738 eV Re[Sigma]= -982.085186 meV Im[Sigma]= 598.477185 meV Z= 0.981732 lam= 0.018608 E( 4 )= -4.6608 eV Re[Sigma]= -985.883721 meV Im[Sigma]= 617.456047 meV Z= 0.985605 lam= 0.014605 E( 5 )= 2.8059 eV Re[Sigma]= 439.874644 meV Im[Sigma]= 3183.832575 meV Z= -9.653116 lam= -1.103593 E( 6 )= 2.8228 eV Re[Sigma]= 468.004573 meV Im[Sigma]= 3204.465191 meV Z= -8.869727 lam= -1.112743 E( 7 )= 4.6194 eV Re[Sigma]= 923.355650 meV Im[Sigma]= 1144.763487 meV Z= 1.002679 lam= -0.002672 E( 8 )= 4.6230 eV Re[Sigma]= 927.935587 meV Im[Sigma]= 1138.479211 meV Z= 0.998890 lam= 0.001111 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -6.0649 eV Re[Sigma]= -389.497341 meV Im[Sigma]= 3.771526 meV Z= 0.929681 lam= 0.075638 E( 4 )= -6.0649 eV Re[Sigma]= -389.319853 meV Im[Sigma]= 3.808313 meV Z= 0.929731 lam= 0.075580 E( 5 )= 4.1639 eV Re[Sigma]= 809.124080 meV Im[Sigma]= 1945.890740 meV Z= 4.444888 lam= -0.775022 E( 6 )= 4.1639 eV Re[Sigma]= 809.003539 meV Im[Sigma]= 1945.548634 meV Z= 4.440970 lam= -0.774824 E( 7 )= 6.0704 eV Re[Sigma]= 630.373791 meV Im[Sigma]= 357.135604 meV Z= 0.944401 lam= 0.058872 E( 8 )= 6.0704 eV Re[Sigma]= 630.361672 meV Im[Sigma]= 357.021213 meV Z= 0.944370 lam= 0.058907 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -4.6738 eV Re[Sigma]= -982.988224 meV Im[Sigma]= 600.295301 meV Z= 0.981270 lam= 0.019087 E( 4 )= -4.6608 eV Re[Sigma]= -986.640641 meV Im[Sigma]= 619.533775 meV Z= 0.985357 lam= 0.014861 E( 5 )= 2.8052 eV Re[Sigma]= 449.549490 meV Im[Sigma]= 3189.936262 meV Z= -9.168380 lam= -1.109071 E( 6 )= 2.8233 eV Re[Sigma]= 480.207541 meV Im[Sigma]= 3208.328660 meV Z= -8.559262 lam= -1.116833 E( 7 )= 4.6194 eV Re[Sigma]= 896.579438 meV Im[Sigma]= 1139.251422 meV Z= 1.007127 lam= -0.007076 E( 8 )= 4.6233 eV Re[Sigma]= 902.449705 meV Im[Sigma]= 1131.138135 meV Z= 1.002999 lam= -0.002990 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.3428 eV Re[Sigma]= -760.768092 meV Im[Sigma]= 1052.921604 meV Z= 1.374572 lam= -0.272501 E( 4 )= -3.3238 eV Re[Sigma]= -752.956852 meV Im[Sigma]= 1059.322413 meV Z= 1.375141 lam= -0.272802 E( 5 )= 0.4951 eV Re[Sigma]= -229.263713 meV Im[Sigma]= 1339.224461 meV Z= 1.116199 lam= -0.104103 E( 6 )= 0.5173 eV Re[Sigma]= -221.088987 meV Im[Sigma]= 1354.981333 meV Z= 1.130297 lam= -0.115277 E( 7 )= 2.3312 eV Re[Sigma]= -223.238978 meV Im[Sigma]= 1435.555093 meV Z= 1.271838 lam= -0.213736 E( 8 )= 2.3334 eV Re[Sigma]= -218.368275 meV Im[Sigma]= 1440.053885 meV Z= 1.276940 lam= -0.216878 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.9280 eV Re[Sigma]= -625.559161 meV Im[Sigma]= 236.034391 meV Z= 0.983100 lam= 0.017191 E( 4 )= -4.9280 eV Re[Sigma]= -624.865761 meV Im[Sigma]= 235.989626 meV Z= 0.983137 lam= 0.017153 E( 5 )= 0.4956 eV Re[Sigma]= 1.876283 meV Im[Sigma]= 1277.017148 meV Z= 1.300465 lam= -0.231044 E( 6 )= 0.4956 eV Re[Sigma]= 2.208524 meV Im[Sigma]= 1279.179576 meV Z= 1.301349 lam= -0.231567 E( 7 )= 1.6661 eV Re[Sigma]= 85.880454 meV Im[Sigma]= 540.948581 meV Z= 0.954710 lam= 0.047438 E( 8 )= 1.6661 eV Re[Sigma]= 86.253193 meV Im[Sigma]= 541.098702 meV Z= 0.954521 lam= 0.047646 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.3428 eV Re[Sigma]= -764.400347 meV Im[Sigma]= 1050.652806 meV Z= 1.374631 lam= -0.272532 E( 4 )= -3.3238 eV Re[Sigma]= -757.077387 meV Im[Sigma]= 1056.221244 meV Z= 1.374106 lam= -0.272254 E( 5 )= 0.4951 eV Re[Sigma]= -215.187932 meV Im[Sigma]= 1330.465110 meV Z= 1.113024 lam= -0.101547 E( 6 )= 0.5173 eV Re[Sigma]= -207.643183 meV Im[Sigma]= 1344.110850 meV Z= 1.125497 lam= -0.111504 E( 7 )= 2.3312 eV Re[Sigma]= -227.934264 meV Im[Sigma]= 1467.842530 meV Z= 1.297169 lam= -0.229091 E( 8 )= 2.3334 eV Re[Sigma]= -223.713256 meV Im[Sigma]= 1472.278426 meV Z= 1.300252 lam= -0.230918 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -4.6738 eV Re[Sigma]= -979.257299 meV Im[Sigma]= 596.715382 meV Z= 0.982010 lam= 0.018320 E( 4 )= -4.6608 eV Re[Sigma]= -983.018259 meV Im[Sigma]= 616.071917 meV Z= 0.986001 lam= 0.014198 E( 5 )= 2.8052 eV Re[Sigma]= 444.444436 meV Im[Sigma]= 3220.587021 meV Z= -8.364631 lam= -1.119551 E( 6 )= 2.8233 eV Re[Sigma]= 474.517093 meV Im[Sigma]= 3241.378061 meV Z= -7.873749 lam= -1.127004 E( 7 )= 4.6194 eV Re[Sigma]= 911.473370 meV Im[Sigma]= 1119.881240 meV Z= 1.004457 lam= -0.004437 E( 8 )= 4.6233 eV Re[Sigma]= 917.955652 meV Im[Sigma]= 1113.542586 meV Z= 1.001229 lam= -0.001227 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -4.6737 eV Re[Sigma]= -979.028977 meV Im[Sigma]= 596.251696 meV Z= 0.981477 lam= 0.018872 E( 4 )= -4.6608 eV Re[Sigma]= -982.561527 meV Im[Sigma]= 615.664079 meV Z= 0.985571 lam= 0.014641 E( 5 )= 2.8066 eV Re[Sigma]= 453.959877 meV Im[Sigma]= 3225.938559 meV Z= -8.421798 lam= -1.118739 E( 6 )= 2.8222 eV Re[Sigma]= 481.556657 meV Im[Sigma]= 3246.824330 meV Z= -7.847598 lam= -1.127428 E( 7 )= 4.6199 eV Re[Sigma]= 905.181240 meV Im[Sigma]= 1129.565390 meV Z= 1.013171 lam= -0.013000 E( 8 )= 4.6224 eV Re[Sigma]= 911.034092 meV Im[Sigma]= 1125.622802 meV Z= 1.010070 lam= -0.009969 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.2614 eV Re[Sigma]= -690.441797 meV Im[Sigma]= 1680.440402 meV Z= 2.194581 lam= -0.544332 E( 4 )= -3.2357 eV Re[Sigma]= -672.029778 meV Im[Sigma]= 1684.210793 meV Z= 2.123100 lam= -0.528991 E( 5 )= 2.4484 eV Re[Sigma]= -6.703545 meV Im[Sigma]= 2376.140139 meV Z= 1.966714 lam= -0.491538 E( 6 )= 2.4799 eV Re[Sigma]= 6.777122 meV Im[Sigma]= 2412.403637 meV Z= 2.147026 lam= -0.534239 E( 7 )= 5.4114 eV Re[Sigma]= 755.607047 meV Im[Sigma]= 668.684584 meV Z= 1.055310 lam= -0.052411 E( 8 )= 5.4150 eV Re[Sigma]= 755.360759 meV Im[Sigma]= 669.527395 meV Z= 1.055122 lam= -0.052242 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -1.9722 eV Re[Sigma]= -469.164647 meV Im[Sigma]= 647.150959 meV Z= 0.947881 lam= 0.054985 E( 4 )= -1.9154 eV Re[Sigma]= -463.986968 meV Im[Sigma]= 639.138498 meV Z= 0.951047 lam= 0.051472 E( 5 )= 1.0005 eV Re[Sigma]= -211.051077 meV Im[Sigma]= 1536.248770 meV Z= 1.120607 lam= -0.107626 E( 6 )= 1.0777 eV Re[Sigma]= -205.069562 meV Im[Sigma]= 1505.199427 meV Z= 1.102809 lam= -0.093225 E( 7 )= 3.9743 eV Re[Sigma]= 808.077828 meV Im[Sigma]= 1685.963961 meV Z= 1.461133 lam= -0.315600 E( 8 )= 4.0152 eV Re[Sigma]= 830.030932 meV Im[Sigma]= 1669.226718 meV Z= 1.475308 lam= -0.322176 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3426 eV Re[Sigma]= -758.857735 meV Im[Sigma]= 1054.093803 meV Z= 1.377076 lam= -0.273824 E( 4 )= -3.3240 eV Re[Sigma]= -750.945879 meV Im[Sigma]= 1060.277267 meV Z= 1.377616 lam= -0.274108 E( 5 )= 0.4952 eV Re[Sigma]= -233.507943 meV Im[Sigma]= 1332.886702 meV Z= 1.113857 lam= -0.102219 E( 6 )= 0.5169 eV Re[Sigma]= -225.432116 meV Im[Sigma]= 1348.301280 meV Z= 1.128000 lam= -0.113475 E( 7 )= 2.3321 eV Re[Sigma]= -222.734796 meV Im[Sigma]= 1432.378268 meV Z= 1.268306 lam= -0.211547 E( 8 )= 2.3327 eV Re[Sigma]= -218.608462 meV Im[Sigma]= 1436.325276 meV Z= 1.271556 lam= -0.213562 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.5846 eV Re[Sigma]= -1032.513756 meV Im[Sigma]= 1858.060707 meV Z= 2.748255 lam= -0.636133 E( 4 )= -3.5735 eV Re[Sigma]= -1015.295984 meV Im[Sigma]= 1884.954512 meV Z= 2.998381 lam= -0.666487 E( 5 )= -0.5093 eV Re[Sigma]= -456.209053 meV Im[Sigma]= 1120.184726 meV Z= 1.066794 lam= -0.062612 E( 6 )= -0.5026 eV Re[Sigma]= -459.026193 meV Im[Sigma]= 1124.475745 meV Z= 1.079061 lam= -0.073268 E( 7 )= 1.3658 eV Re[Sigma]= -68.758791 meV Im[Sigma]= 1703.546171 meV Z= 1.065924 lam= -0.061846 E( 8 )= 1.3916 eV Re[Sigma]= -66.254587 meV Im[Sigma]= 1697.031702 meV Z= 1.036606 lam= -0.035314 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.6639 eV Re[Sigma]= -978.112846 meV Im[Sigma]= 1472.491561 meV Z= 1.357010 lam= -0.263086 E( 4 )= -3.6552 eV Re[Sigma]= -978.530613 meV Im[Sigma]= 1485.603984 meV Z= 1.370324 lam= -0.270246 E( 5 )= -0.0883 eV Re[Sigma]= -261.546354 meV Im[Sigma]= 1532.365912 meV Z= 1.144442 lam= -0.126211 E( 6 )= -0.0675 eV Re[Sigma]= -256.189503 meV Im[Sigma]= 1564.825548 meV Z= 1.160628 lam= -0.138398 E( 7 )= 2.9124 eV Re[Sigma]= 14.305031 meV Im[Sigma]= 2988.033245 meV Z= 8.253080 lam= -0.878833 E( 8 )= 2.9438 eV Re[Sigma]= 50.951551 meV Im[Sigma]= 3014.413096 meV Z= 7.684818 lam= -0.869873 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -764.096635 meV Im[Sigma]= 1046.330516 meV Z= 1.370972 lam= -0.270590 E( 4 )= -3.3236 eV Re[Sigma]= -755.206465 meV Im[Sigma]= 1051.861095 meV Z= 1.370935 lam= -0.270571 E( 5 )= 0.4965 eV Re[Sigma]= -227.194549 meV Im[Sigma]= 1338.051637 meV Z= 1.116007 lam= -0.103949 E( 6 )= 0.5165 eV Re[Sigma]= -220.153130 meV Im[Sigma]= 1350.728870 meV Z= 1.128651 lam= -0.113986 E( 7 )= 2.3321 eV Re[Sigma]= -223.476135 meV Im[Sigma]= 1461.330972 meV Z= 1.298502 lam= -0.229882 E( 8 )= 2.3324 eV Re[Sigma]= -224.673506 meV Im[Sigma]= 1459.943097 meV Z= 1.298376 lam= -0.229807 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -1.9719 eV Re[Sigma]= -478.089797 meV Im[Sigma]= 647.358352 meV Z= 0.949122 lam= 0.053606 E( 4 )= -1.9162 eV Re[Sigma]= -473.447711 meV Im[Sigma]= 638.994197 meV Z= 0.952358 lam= 0.050025 E( 5 )= 1.0018 eV Re[Sigma]= -206.111478 meV Im[Sigma]= 1558.577210 meV Z= 1.128402 lam= -0.113791 E( 6 )= 1.0773 eV Re[Sigma]= -199.065495 meV Im[Sigma]= 1525.321079 meV Z= 1.108989 lam= -0.098278 E( 7 )= 3.9746 eV Re[Sigma]= 798.060499 meV Im[Sigma]= 1661.643026 meV Z= 1.454519 lam= -0.312488 E( 8 )= 4.0146 eV Re[Sigma]= 819.049945 meV Im[Sigma]= 1647.700787 meV Z= 1.472352 lam= -0.320815 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.2613 eV Re[Sigma]= -692.443668 meV Im[Sigma]= 1680.739857 meV Z= 2.193593 lam= -0.544127 E( 4 )= -3.2359 eV Re[Sigma]= -674.234751 meV Im[Sigma]= 1684.078097 meV Z= 2.121757 lam= -0.528693 E( 5 )= 2.4483 eV Re[Sigma]= -8.847312 meV Im[Sigma]= 2385.417639 meV Z= 1.977455 lam= -0.494300 E( 6 )= 2.4799 eV Re[Sigma]= 5.377650 meV Im[Sigma]= 2422.759068 meV Z= 2.163448 lam= -0.537775 E( 7 )= 5.4114 eV Re[Sigma]= 750.648550 meV Im[Sigma]= 663.215854 meV Z= 1.052585 lam= -0.049958 E( 8 )= 5.4152 eV Re[Sigma]= 750.069735 meV Im[Sigma]= 663.581010 meV Z= 1.052461 lam= -0.049846 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6733 eV Re[Sigma]= -981.921133 meV Im[Sigma]= 599.663833 meV Z= 0.981482 lam= 0.018867 E( 4 )= -4.6615 eV Re[Sigma]= -985.378140 meV Im[Sigma]= 617.694818 meV Z= 0.985219 lam= 0.015002 E( 5 )= 2.8051 eV Re[Sigma]= 449.334766 meV Im[Sigma]= 3199.496999 meV Z= -9.016379 lam= -1.110909 E( 6 )= 2.8230 eV Re[Sigma]= 479.196895 meV Im[Sigma]= 3217.018528 meV Z= -8.458306 lam= -1.118227 E( 7 )= 4.6201 eV Re[Sigma]= 898.361468 meV Im[Sigma]= 1143.174573 meV Z= 1.009162 lam= -0.009079 E( 8 )= 4.6232 eV Re[Sigma]= 903.934460 meV Im[Sigma]= 1135.492884 meV Z= 1.005223 lam= -0.005195 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.6638 eV Re[Sigma]= -986.721910 meV Im[Sigma]= 1472.614266 meV Z= 1.352586 lam= -0.260675 E( 4 )= -3.6553 eV Re[Sigma]= -987.922815 meV Im[Sigma]= 1485.690227 meV Z= 1.365422 lam= -0.267626 E( 5 )= -0.0888 eV Re[Sigma]= -267.363193 meV Im[Sigma]= 1536.737926 meV Z= 1.138226 lam= -0.121440 E( 6 )= -0.0672 eV Re[Sigma]= -262.059745 meV Im[Sigma]= 1572.829846 meV Z= 1.156085 lam= -0.135011 E( 7 )= 2.9120 eV Re[Sigma]= 2.730541 meV Im[Sigma]= 2924.852953 meV Z= 6.128351 lam= -0.836824 E( 8 )= 2.9445 eV Re[Sigma]= 39.023563 meV Im[Sigma]= 2957.794637 meV Z= 5.964109 lam= -0.832330 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.5850 eV Re[Sigma]= -1034.930033 meV Im[Sigma]= 1862.951453 meV Z= 2.758211 lam= -0.637446 E( 4 )= -3.5736 eV Re[Sigma]= -1017.729006 meV Im[Sigma]= 1890.035146 meV Z= 3.013485 lam= -0.668158 E( 5 )= -0.5097 eV Re[Sigma]= -455.406562 meV Im[Sigma]= 1124.895630 meV Z= 1.066443 lam= -0.062303 E( 6 )= -0.5018 eV Re[Sigma]= -457.728233 meV Im[Sigma]= 1129.971951 meV Z= 1.080187 lam= -0.074234 E( 7 )= 1.3651 eV Re[Sigma]= -69.522407 meV Im[Sigma]= 1707.717955 meV Z= 1.069245 lam= -0.064761 E( 8 )= 1.3926 eV Re[Sigma]= -67.356146 meV Im[Sigma]= 1700.983305 meV Z= 1.038931 lam= -0.037472 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -4.9281 eV Re[Sigma]= -624.802074 meV Im[Sigma]= 235.971189 meV Z= 0.983185 lam= 0.017102 E( 4 )= -4.9281 eV Re[Sigma]= -625.169840 meV Im[Sigma]= 236.057519 meV Z= 0.983168 lam= 0.017120 E( 5 )= 0.4952 eV Re[Sigma]= 2.244524 meV Im[Sigma]= 1277.985614 meV Z= 1.300520 lam= -0.231077 E( 6 )= 0.4952 eV Re[Sigma]= 2.656167 meV Im[Sigma]= 1278.660481 meV Z= 1.301201 lam= -0.231479 E( 7 )= 1.6668 eV Re[Sigma]= 85.430996 meV Im[Sigma]= 540.383862 meV Z= 0.954155 lam= 0.048048 E( 8 )= 1.6668 eV Re[Sigma]= 85.585978 meV Im[Sigma]= 541.192041 meV Z= 0.954654 lam= 0.047500 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.3435 eV Re[Sigma]= -762.204320 meV Im[Sigma]= 1044.996316 meV Z= 1.370852 lam= -0.270527 E( 4 )= -3.3234 eV Re[Sigma]= -753.490171 meV Im[Sigma]= 1050.658327 meV Z= 1.370595 lam= -0.270390 E( 5 )= 0.4963 eV Re[Sigma]= -226.693405 meV Im[Sigma]= 1340.575480 meV Z= 1.116617 lam= -0.104438 E( 6 )= 0.5166 eV Re[Sigma]= -219.775524 meV Im[Sigma]= 1353.404774 meV Z= 1.129201 lam= -0.114418 E( 7 )= 2.3323 eV Re[Sigma]= -225.311388 meV Im[Sigma]= 1451.216477 meV Z= 1.292106 lam= -0.226070 E( 8 )= 2.3325 eV Re[Sigma]= -225.386924 meV Im[Sigma]= 1451.134715 meV Z= 1.292119 lam= -0.226078 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -4.6740 eV Re[Sigma]= -979.300363 meV Im[Sigma]= 596.840405 meV Z= 0.981913 lam= 0.018420 E( 4 )= -4.6606 eV Re[Sigma]= -983.062605 meV Im[Sigma]= 616.664477 meV Z= 0.986065 lam= 0.014132 E( 5 )= 2.8061 eV Re[Sigma]= 448.985296 meV Im[Sigma]= 3236.569105 meV Z= -7.970026 lam= -1.125470 E( 6 )= 2.8220 eV Re[Sigma]= 477.606036 meV Im[Sigma]= 3257.654362 meV Z= -7.456356 lam= -1.134114 E( 7 )= 4.6202 eV Re[Sigma]= 906.373075 meV Im[Sigma]= 1126.067063 meV Z= 1.010744 lam= -0.010630 E( 8 )= 4.6230 eV Re[Sigma]= 912.550956 meV Im[Sigma]= 1121.262464 meV Z= 1.007405 lam= -0.007351 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -6.0650 eV Re[Sigma]= -389.376521 meV Im[Sigma]= 3.788171 meV Z= 0.929702 lam= 0.075613 E( 4 )= -6.0650 eV Re[Sigma]= -389.009885 meV Im[Sigma]= 3.783058 meV Z= 0.929772 lam= 0.075533 E( 5 )= 4.1638 eV Re[Sigma]= 809.405454 meV Im[Sigma]= 1949.693281 meV Z= 4.470726 lam= -0.776323 E( 6 )= 4.1638 eV Re[Sigma]= 808.528738 meV Im[Sigma]= 1949.930890 meV Z= 4.478720 lam= -0.776722 E( 7 )= 6.0706 eV Re[Sigma]= 630.080224 meV Im[Sigma]= 356.153834 meV Z= 0.944458 lam= 0.058808 E( 8 )= 6.0706 eV Re[Sigma]= 630.318939 meV Im[Sigma]= 356.109275 meV Z= 0.944355 lam= 0.058923 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -4.6740 eV Re[Sigma]= -982.120840 meV Im[Sigma]= 599.044611 meV Z= 0.980975 lam= 0.019394 E( 4 )= -4.6606 eV Re[Sigma]= -986.409268 meV Im[Sigma]= 618.919430 meV Z= 0.985118 lam= 0.015106 E( 5 )= 2.8061 eV Re[Sigma]= 444.327512 meV Im[Sigma]= 3195.150052 meV Z= -9.033652 lam= -1.110697 E( 6 )= 2.8220 eV Re[Sigma]= 472.088708 meV Im[Sigma]= 3215.385148 meV Z= -8.299199 lam= -1.120494 E( 7 )= 4.6202 eV Re[Sigma]= 899.234343 meV Im[Sigma]= 1158.398163 meV Z= 1.010176 lam= -0.010074 E( 8 )= 4.6230 eV Re[Sigma]= 904.872641 meV Im[Sigma]= 1151.539447 meV Z= 1.006193 lam= -0.006154 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.3435 eV Re[Sigma]= -761.998412 meV Im[Sigma]= 1062.321372 meV Z= 1.380671 lam= -0.275715 E( 4 )= -3.3234 eV Re[Sigma]= -754.379892 meV Im[Sigma]= 1070.177853 meV Z= 1.382084 lam= -0.276455 E( 5 )= 0.4963 eV Re[Sigma]= -220.132993 meV Im[Sigma]= 1340.319959 meV Z= 1.115722 lam= -0.103720 E( 6 )= 0.5166 eV Re[Sigma]= -212.847513 meV Im[Sigma]= 1353.862638 meV Z= 1.129073 lam= -0.114318 E( 7 )= 2.3323 eV Re[Sigma]= -226.809697 meV Im[Sigma]= 1436.523902 meV Z= 1.266946 lam= -0.210701 E( 8 )= 2.3325 eV Re[Sigma]= -225.470327 meV Im[Sigma]= 1438.119619 meV Z= 1.268440 lam= -0.211630 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -759.119690 meV Im[Sigma]= 1064.760743 meV Z= 1.384534 lam= -0.277735 E( 4 )= -3.3236 eV Re[Sigma]= -751.476818 meV Im[Sigma]= 1071.824541 meV Z= 1.385482 lam= -0.278229 E( 5 )= 0.4965 eV Re[Sigma]= -225.446634 meV Im[Sigma]= 1336.816660 meV Z= 1.114638 lam= -0.102848 E( 6 )= 0.5165 eV Re[Sigma]= -217.863461 meV Im[Sigma]= 1349.352146 meV Z= 1.127381 lam= -0.112988 E( 7 )= 2.3321 eV Re[Sigma]= -227.553774 meV Im[Sigma]= 1437.404368 meV Z= 1.266655 lam= -0.210519 E( 8 )= 2.3324 eV Re[Sigma]= -229.502352 meV Im[Sigma]= 1435.946035 meV Z= 1.265667 lam= -0.209902 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.5850 eV Re[Sigma]= -1031.608346 meV Im[Sigma]= 1857.755607 meV Z= 2.749310 lam= -0.636272 E( 4 )= -3.5736 eV Re[Sigma]= -1014.187712 meV Im[Sigma]= 1884.751179 meV Z= 3.002478 lam= -0.666942 E( 5 )= -0.5097 eV Re[Sigma]= -455.658706 meV Im[Sigma]= 1123.981445 meV Z= 1.067397 lam= -0.063142 E( 6 )= -0.5018 eV Re[Sigma]= -458.720997 meV Im[Sigma]= 1129.907471 meV Z= 1.081458 lam= -0.075323 E( 7 )= 1.3651 eV Re[Sigma]= -66.172660 meV Im[Sigma]= 1696.588934 meV Z= 1.065494 lam= -0.061468 E( 8 )= 1.3926 eV Re[Sigma]= -64.269624 meV Im[Sigma]= 1689.395013 meV Z= 1.035431 lam= -0.034218 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.6638 eV Re[Sigma]= -976.854838 meV Im[Sigma]= 1472.554435 meV Z= 1.356453 lam= -0.262783 E( 4 )= -3.6553 eV Re[Sigma]= -977.293539 meV Im[Sigma]= 1485.403185 meV Z= 1.369463 lam= -0.269787 E( 5 )= -0.0888 eV Re[Sigma]= -261.874268 meV Im[Sigma]= 1535.488488 meV Z= 1.145857 lam= -0.127290 E( 6 )= -0.0672 eV Re[Sigma]= -255.762514 meV Im[Sigma]= 1568.586531 meV Z= 1.162412 lam= -0.139720 E( 7 )= 2.9120 eV Re[Sigma]= 12.305072 meV Im[Sigma]= 2984.156066 meV Z= 8.026576 lam= -0.875414 E( 8 )= 2.9445 eV Re[Sigma]= 50.332547 meV Im[Sigma]= 3011.523275 meV Z= 7.511970 lam= -0.866879 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6733 eV Re[Sigma]= -978.567758 meV Im[Sigma]= 596.761652 meV Z= 0.982022 lam= 0.018307 E( 4 )= -4.6615 eV Re[Sigma]= -981.681536 meV Im[Sigma]= 614.663524 meV Z= 0.985711 lam= 0.014496 E( 5 )= 2.8051 eV Re[Sigma]= 441.368367 meV Im[Sigma]= 3226.872296 meV Z= -8.351751 lam= -1.119735 E( 6 )= 2.8230 eV Re[Sigma]= 470.416432 meV Im[Sigma]= 3247.017120 meV Z= -7.893105 lam= -1.126693 E( 7 )= 4.6201 eV Re[Sigma]= 913.733492 meV Im[Sigma]= 1124.688640 meV Z= 1.008770 lam= -0.008694 E( 8 )= 4.6232 eV Re[Sigma]= 919.898165 meV Im[Sigma]= 1119.195637 meV Z= 1.005417 lam= -0.005387 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.2613 eV Re[Sigma]= -690.347630 meV Im[Sigma]= 1668.475565 meV Z= 2.176006 lam= -0.540443 E( 4 )= -3.2359 eV Re[Sigma]= -672.262641 meV Im[Sigma]= 1671.036517 meV Z= 2.103500 lam= -0.524602 E( 5 )= 2.4483 eV Re[Sigma]= -20.559843 meV Im[Sigma]= 2379.658281 meV Z= 1.961700 lam= -0.490238 E( 6 )= 2.4799 eV Re[Sigma]= -7.348629 meV Im[Sigma]= 2417.293716 meV Z= 2.143447 lam= -0.533462 E( 7 )= 5.4114 eV Re[Sigma]= 762.687308 meV Im[Sigma]= 666.542385 meV Z= 1.051263 lam= -0.048764 E( 8 )= 5.4152 eV Re[Sigma]= 762.578079 meV Im[Sigma]= 667.246045 meV Z= 1.051363 lam= -0.048854 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -1.9719 eV Re[Sigma]= -468.870304 meV Im[Sigma]= 648.723014 meV Z= 0.949586 lam= 0.053091 E( 4 )= -1.9162 eV Re[Sigma]= -463.640883 meV Im[Sigma]= 641.040608 meV Z= 0.953058 lam= 0.049254 E( 5 )= 1.0018 eV Re[Sigma]= -212.871258 meV Im[Sigma]= 1537.308539 meV Z= 1.125528 lam= -0.111528 E( 6 )= 1.0773 eV Re[Sigma]= -207.585298 meV Im[Sigma]= 1506.453605 meV Z= 1.107956 lam= -0.097437 E( 7 )= 3.9746 eV Re[Sigma]= 817.958374 meV Im[Sigma]= 1703.872936 meV Z= 1.470463 lam= -0.319942 E( 8 )= 4.0146 eV Re[Sigma]= 841.037085 meV Im[Sigma]= 1685.338908 meV Z= 1.482746 lam= -0.325575 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -4.6737 eV Re[Sigma]= -981.458968 meV Im[Sigma]= 598.707387 meV Z= 0.981278 lam= 0.019079 E( 4 )= -4.6608 eV Re[Sigma]= -985.838081 meV Im[Sigma]= 618.115899 meV Z= 0.985250 lam= 0.014971 E( 5 )= 2.8066 eV Re[Sigma]= 451.504537 meV Im[Sigma]= 3199.226668 meV Z= -8.860643 lam= -1.112859 E( 6 )= 2.8222 eV Re[Sigma]= 478.623986 meV Im[Sigma]= 3218.775417 meV Z= -8.136754 lam= -1.122899 E( 7 )= 4.6199 eV Re[Sigma]= 896.781617 meV Im[Sigma]= 1170.121425 meV Z= 1.014763 lam= -0.014549 E( 8 )= 4.6224 eV Re[Sigma]= 901.957726 meV Im[Sigma]= 1164.296143 meV Z= 1.011134 lam= -0.011012 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.6639 eV Re[Sigma]= -985.680260 meV Im[Sigma]= 1472.519521 meV Z= 1.352609 lam= -0.260688 E( 4 )= -3.6552 eV Re[Sigma]= -986.709016 meV Im[Sigma]= 1485.979025 meV Z= 1.366025 lam= -0.267949 E( 5 )= -0.0883 eV Re[Sigma]= -265.243848 meV Im[Sigma]= 1536.841494 meV Z= 1.138113 lam= -0.121353 E( 6 )= -0.0675 eV Re[Sigma]= -259.764430 meV Im[Sigma]= 1572.263777 meV Z= 1.155358 lam= -0.134467 E( 7 )= 2.9124 eV Re[Sigma]= 3.427576 meV Im[Sigma]= 2925.576218 meV Z= 6.149125 lam= -0.837375 E( 8 )= 2.9438 eV Re[Sigma]= 38.471288 meV Im[Sigma]= 2956.936126 meV Z= 5.965688 lam= -0.832375 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.5846 eV Re[Sigma]= -1033.532221 meV Im[Sigma]= 1867.130747 meV Z= 2.776106 lam= -0.639783 E( 4 )= -3.5735 eV Re[Sigma]= -1016.580070 meV Im[Sigma]= 1894.486811 meV Z= 3.032829 lam= -0.670275 E( 5 )= -0.5093 eV Re[Sigma]= -458.829027 meV Im[Sigma]= 1127.751077 meV Z= 1.067318 lam= -0.063072 E( 6 )= -0.5026 eV Re[Sigma]= -461.045204 meV Im[Sigma]= 1131.884182 meV Z= 1.079528 lam= -0.073669 E( 7 )= 1.3658 eV Re[Sigma]= -71.694402 meV Im[Sigma]= 1709.778177 meV Z= 1.069998 lam= -0.065419 E( 8 )= 1.3916 eV Re[Sigma]= -68.900366 meV Im[Sigma]= 1702.977287 meV Z= 1.040263 lam= -0.038705 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3426 eV Re[Sigma]= -763.644248 meV Im[Sigma]= 1050.710158 meV Z= 1.374830 lam= -0.272637 E( 4 )= -3.3240 eV Re[Sigma]= -756.160520 meV Im[Sigma]= 1056.553113 meV Z= 1.374785 lam= -0.272614 E( 5 )= 0.4952 eV Re[Sigma]= -219.537143 meV Im[Sigma]= 1329.737178 meV Z= 1.112338 lam= -0.100993 E( 6 )= 0.5169 eV Re[Sigma]= -212.084716 meV Im[Sigma]= 1343.205688 meV Z= 1.124977 lam= -0.111093 E( 7 )= 2.3321 eV Re[Sigma]= -225.193837 meV Im[Sigma]= 1473.973545 meV Z= 1.301012 lam= -0.231367 E( 8 )= 2.3327 eV Re[Sigma]= -221.047008 meV Im[Sigma]= 1477.741103 meV Z= 1.303373 lam= -0.232760 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -1.9722 eV Re[Sigma]= -483.403854 meV Im[Sigma]= 646.535131 meV Z= 0.947358 lam= 0.055568 E( 4 )= -1.9154 eV Re[Sigma]= -479.043910 meV Im[Sigma]= 638.275446 meV Z= 0.950472 lam= 0.052109 E( 5 )= 1.0005 eV Re[Sigma]= -223.647141 meV Im[Sigma]= 1539.701404 meV Z= 1.118898 lam= -0.106263 E( 6 )= 1.0777 eV Re[Sigma]= -216.893005 meV Im[Sigma]= 1507.979204 meV Z= 1.101398 lam= -0.092063 E( 7 )= 3.9743 eV Re[Sigma]= 805.691559 meV Im[Sigma]= 1672.423048 meV Z= 1.453010 lam= -0.311774 E( 8 )= 4.0152 eV Re[Sigma]= 826.547559 meV Im[Sigma]= 1655.323230 meV Z= 1.468948 lam= -0.319241 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.2614 eV Re[Sigma]= -692.374147 meV Im[Sigma]= 1665.984657 meV Z= 2.169133 lam= -0.538986 E( 4 )= -3.2357 eV Re[Sigma]= -674.097051 meV Im[Sigma]= 1668.724998 meV Z= 2.096660 lam= -0.523051 E( 5 )= 2.4484 eV Re[Sigma]= -15.411549 meV Im[Sigma]= 2386.796543 meV Z= 1.973498 lam= -0.493285 E( 6 )= 2.4799 eV Re[Sigma]= -2.093609 meV Im[Sigma]= 2424.231415 meV Z= 2.158849 lam= -0.536790 E( 7 )= 5.4114 eV Re[Sigma]= 757.483632 meV Im[Sigma]= 663.297631 meV Z= 1.050011 lam= -0.047629 E( 8 )= 5.4150 eV Re[Sigma]= 756.953496 meV Im[Sigma]= 664.688044 meV Z= 1.050339 lam= -0.047927 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -595.291311 meV Im[Sigma]= 537.779882 meV Z= 0.928605 lam= 0.076885 E( 4 )= -1.9925 eV Re[Sigma]= -595.260668 meV Im[Sigma]= 537.718454 meV Z= 0.928587 lam= 0.076905 E( 5 )= 4.6996 eV Re[Sigma]= 818.585746 meV Im[Sigma]= 911.046075 meV Z= 1.055266 lam= -0.052372 E( 6 )= 4.6996 eV Re[Sigma]= 818.830300 meV Im[Sigma]= 911.135096 meV Z= 1.055362 lam= -0.052458 E( 7 )= 6.6655 eV Re[Sigma]= 766.065205 meV Im[Sigma]= 263.263178 meV Z= 0.933960 lam= 0.070709 E( 8 )= 6.6655 eV Re[Sigma]= 765.695856 meV Im[Sigma]= 262.723088 meV Z= 0.933946 lam= 0.070725 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -689.907075 meV Im[Sigma]= 1685.279613 meV Z= 2.197420 lam= -0.544921 E( 4 )= -3.2357 eV Re[Sigma]= -671.168348 meV Im[Sigma]= 1688.705004 meV Z= 2.122679 lam= -0.528897 E( 5 )= 2.4484 eV Re[Sigma]= -13.358122 meV Im[Sigma]= 2438.371052 meV Z= 2.101430 lam= -0.524133 E( 6 )= 2.4800 eV Re[Sigma]= 1.118512 meV Im[Sigma]= 2477.979901 meV Z= 2.323221 lam= -0.569563 E( 7 )= 5.4118 eV Re[Sigma]= 755.352536 meV Im[Sigma]= 664.237207 meV Z= 1.052513 lam= -0.049893 E( 8 )= 5.4145 eV Re[Sigma]= 753.925160 meV Im[Sigma]= 665.131695 meV Z= 1.052773 lam= -0.050127 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -404.884132 meV Im[Sigma]= 1455.910608 meV Z= 0.996049 lam= 0.003967 E( 4 )= -2.6397 eV Re[Sigma]= -402.313209 meV Im[Sigma]= 1462.624785 meV Z= 0.998074 lam= 0.001929 E( 5 )= -1.5697 eV Re[Sigma]= -282.753060 meV Im[Sigma]= 1014.404472 meV Z= 0.762401 lam= 0.311645 E( 6 )= -1.5697 eV Re[Sigma]= -261.398370 meV Im[Sigma]= 1003.768331 meV Z= 0.760370 lam= 0.315149 E( 7 )= 3.4484 eV Re[Sigma]= 826.886712 meV Im[Sigma]= 2091.014707 meV Z= 1.806394 lam= -0.446411 E( 8 )= 3.4484 eV Re[Sigma]= 829.391811 meV Im[Sigma]= 2099.395680 meV Z= 1.822751 lam= -0.451379 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3430 eV Re[Sigma]= -763.619214 meV Im[Sigma]= 1055.091433 meV Z= 1.378536 lam= -0.274593 E( 4 )= -3.3236 eV Re[Sigma]= -754.899236 meV Im[Sigma]= 1060.440619 meV Z= 1.378066 lam= -0.274346 E( 5 )= 0.4955 eV Re[Sigma]= -219.962065 meV Im[Sigma]= 1345.318393 meV Z= 1.119946 lam= -0.107100 E( 6 )= 0.5175 eV Re[Sigma]= -212.758138 meV Im[Sigma]= 1357.104337 meV Z= 1.131627 lam= -0.116317 E( 7 )= 2.3309 eV Re[Sigma]= -237.345605 meV Im[Sigma]= 1458.043251 meV Z= 1.291546 lam= -0.225734 E( 8 )= 2.3331 eV Re[Sigma]= -233.708071 meV Im[Sigma]= 1462.327995 meV Z= 1.295333 lam= -0.227998 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -0.6549 eV Re[Sigma]= -419.076160 meV Im[Sigma]= 494.063404 meV Z= 0.918986 lam= 0.088156 E( 4 )= -0.6549 eV Re[Sigma]= -419.241192 meV Im[Sigma]= 493.774158 meV Z= 0.918949 lam= 0.088200 E( 5 )= 2.1592 eV Re[Sigma]= 96.186878 meV Im[Sigma]= 903.979300 meV Z= 1.103341 lam= -0.093662 E( 6 )= 2.1592 eV Re[Sigma]= 96.080938 meV Im[Sigma]= 903.857170 meV Z= 1.103134 lam= -0.093491 E( 7 )= 3.3797 eV Re[Sigma]= 269.717135 meV Im[Sigma]= 1160.423825 meV Z= 1.253770 lam= -0.202405 E( 8 )= 3.3797 eV Re[Sigma]= 269.667735 meV Im[Sigma]= 1160.665029 meV Z= 1.254192 lam= -0.202674 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -0.0700 eV Re[Sigma]= -419.933099 meV Im[Sigma]= 1058.678854 meV Z= 1.247889 lam= -0.198647 E( 4 )= -0.0221 eV Re[Sigma]= -404.116029 meV Im[Sigma]= 1088.537341 meV Z= 1.260692 lam= -0.206785 E( 5 )= 3.8445 eV Re[Sigma]= 542.193738 meV Im[Sigma]= 1487.730985 meV Z= 1.453881 lam= -0.312186 E( 6 )= 3.8978 eV Re[Sigma]= 558.641083 meV Im[Sigma]= 1481.114589 meV Z= 1.474750 lam= -0.321919 E( 7 )= 5.5421 eV Re[Sigma]= 839.977549 meV Im[Sigma]= 754.018307 meV Z= 1.088457 lam= -0.081268 E( 8 )= 5.5437 eV Re[Sigma]= 841.056325 meV Im[Sigma]= 761.125578 meV Z= 1.091249 lam= -0.083619 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.2613 eV Re[Sigma]= -691.732225 meV Im[Sigma]= 1687.580770 meV Z= 2.209446 lam= -0.547398 E( 4 )= -3.2358 eV Re[Sigma]= -673.421921 meV Im[Sigma]= 1691.194814 meV Z= 2.134579 lam= -0.531523 E( 5 )= 2.4481 eV Re[Sigma]= -25.895816 meV Im[Sigma]= 2436.710120 meV Z= 2.053826 lam= -0.513104 E( 6 )= 2.4800 eV Re[Sigma]= -11.193637 meV Im[Sigma]= 2476.697896 meV Z= 2.269474 lam= -0.559369 E( 7 )= 5.4114 eV Re[Sigma]= 750.044115 meV Im[Sigma]= 659.138414 meV Z= 1.055881 lam= -0.052924 E( 8 )= 5.4151 eV Re[Sigma]= 750.200779 meV Im[Sigma]= 660.190645 meV Z= 1.055978 lam= -0.053010 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -4.6738 eV Re[Sigma]= -981.895204 meV Im[Sigma]= 598.427170 meV Z= 0.981473 lam= 0.018877 E( 4 )= -4.6608 eV Re[Sigma]= -985.796269 meV Im[Sigma]= 617.585811 meV Z= 0.985372 lam= 0.014846 E( 5 )= 2.8059 eV Re[Sigma]= 447.665875 meV Im[Sigma]= 3160.815989 meV Z= -10.535896 lam= -1.094914 E( 6 )= 2.8228 eV Re[Sigma]= 475.697107 meV Im[Sigma]= 3179.552188 meV Z= -9.696837 lam= -1.103126 E( 7 )= 4.6194 eV Re[Sigma]= 912.649569 meV Im[Sigma]= 1142.619156 meV Z= 1.007137 lam= -0.007086 E( 8 )= 4.6230 eV Re[Sigma]= 918.284425 meV Im[Sigma]= 1137.120006 meV Z= 1.003720 lam= -0.003707 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.6636 eV Re[Sigma]= -988.865697 meV Im[Sigma]= 1468.509511 meV Z= 1.356414 lam= -0.262762 E( 4 )= -3.6554 eV Re[Sigma]= -989.745556 meV Im[Sigma]= 1481.758040 meV Z= 1.369261 lam= -0.269679 E( 5 )= -0.0888 eV Re[Sigma]= -252.605293 meV Im[Sigma]= 1542.442917 meV Z= 1.150921 lam= -0.131130 E( 6 )= -0.0671 eV Re[Sigma]= -247.712175 meV Im[Sigma]= 1578.104760 meV Z= 1.168021 lam= -0.143851 E( 7 )= 2.9127 eV Re[Sigma]= -5.961526 meV Im[Sigma]= 2937.956091 meV Z= 6.412534 lam= -0.844055 E( 8 )= 2.9435 eV Re[Sigma]= 29.349260 meV Im[Sigma]= 2965.993683 meV Z= 6.150224 lam= -0.837404 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.5841 eV Re[Sigma]= -1032.186658 meV Im[Sigma]= 1857.089713 meV Z= 2.750968 lam= -0.636492 E( 4 )= -3.5738 eV Re[Sigma]= -1015.556528 meV Im[Sigma]= 1883.504392 meV Z= 2.992449 lam= -0.665826 E( 5 )= -0.5086 eV Re[Sigma]= -459.597907 meV Im[Sigma]= 1131.406406 meV Z= 1.069100 lam= -0.064633 E( 6 )= -0.5036 eV Re[Sigma]= -462.084852 meV Im[Sigma]= 1134.897878 meV Z= 1.080308 lam= -0.074338 E( 7 )= 1.3670 eV Re[Sigma]= -69.293057 meV Im[Sigma]= 1687.426329 meV Z= 1.061801 lam= -0.058204 E( 8 )= 1.3905 eV Re[Sigma]= -67.477911 meV Im[Sigma]= 1681.057256 meV Z= 1.033883 lam= -0.032772 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.3433 eV Re[Sigma]= -762.706976 meV Im[Sigma]= 1052.225901 meV Z= 1.376403 lam= -0.273469 E( 4 )= -3.3232 eV Re[Sigma]= -753.907836 meV Im[Sigma]= 1057.558567 meV Z= 1.375771 lam= -0.273135 E( 5 )= 0.4957 eV Re[Sigma]= -215.896222 meV Im[Sigma]= 1335.378959 meV Z= 1.116249 lam= -0.104142 E( 6 )= 0.5169 eV Re[Sigma]= -208.879445 meV Im[Sigma]= 1346.923626 meV Z= 1.127936 lam= -0.113425 E( 7 )= 2.3318 eV Re[Sigma]= -236.625508 meV Im[Sigma]= 1452.886242 meV Z= 1.290154 lam= -0.224899 E( 8 )= 2.3325 eV Re[Sigma]= -233.676476 meV Im[Sigma]= 1456.109692 meV Z= 1.292476 lam= -0.226291 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -1.9716 eV Re[Sigma]= -476.658150 meV Im[Sigma]= 646.889200 meV Z= 0.946815 lam= 0.056172 E( 4 )= -1.9159 eV Re[Sigma]= -472.886457 meV Im[Sigma]= 638.112091 meV Z= 0.949627 lam= 0.053045 E( 5 )= 1.0009 eV Re[Sigma]= -221.753077 meV Im[Sigma]= 1550.847951 meV Z= 1.120066 lam= -0.107195 E( 6 )= 1.0774 eV Re[Sigma]= -216.723485 meV Im[Sigma]= 1519.468417 meV Z= 1.101669 lam= -0.092286 E( 7 )= 3.9744 eV Re[Sigma]= 803.073737 meV Im[Sigma]= 1685.538016 meV Z= 1.468558 lam= -0.319060 E( 8 )= 4.0151 eV Re[Sigma]= 824.322291 meV Im[Sigma]= 1669.578403 meV Z= 1.485701 lam= -0.326917 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -405.300749 meV Im[Sigma]= 1448.164121 meV Z= 0.996635 lam= 0.003376 E( 4 )= -2.6397 eV Re[Sigma]= -407.574713 meV Im[Sigma]= 1442.292717 meV Z= 0.994947 lam= 0.005078 E( 5 )= -1.5697 eV Re[Sigma]= -268.041997 meV Im[Sigma]= 1002.482246 meV Z= 0.761915 lam= 0.312482 E( 6 )= -1.5697 eV Re[Sigma]= -287.144203 meV Im[Sigma]= 1011.864961 meV Z= 0.763850 lam= 0.309157 E( 7 )= 3.4484 eV Re[Sigma]= 801.028711 meV Im[Sigma]= 2093.889553 meV Z= 1.815616 lam= -0.449223 E( 8 )= 3.4484 eV Re[Sigma]= 800.902139 meV Im[Sigma]= 2089.487975 meV Z= 1.805447 lam= -0.446120 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.6640 eV Re[Sigma]= -980.530016 meV Im[Sigma]= 1468.336189 meV Z= 1.355959 lam= -0.262515 E( 4 )= -3.6552 eV Re[Sigma]= -980.463105 meV Im[Sigma]= 1480.915179 meV Z= 1.369015 lam= -0.269548 E( 5 )= -0.0880 eV Re[Sigma]= -258.073051 meV Im[Sigma]= 1550.504734 meV Z= 1.152046 lam= -0.131979 E( 6 )= -0.0675 eV Re[Sigma]= -252.148218 meV Im[Sigma]= 1582.613926 meV Z= 1.168786 lam= -0.144411 E( 7 )= 2.9118 eV Re[Sigma]= 17.229889 meV Im[Sigma]= 2974.042127 meV Z= 7.926713 lam= -0.873844 E( 8 )= 2.9441 eV Re[Sigma]= 54.601514 meV Im[Sigma]= 3000.073418 meV Z= 7.387030 lam= -0.864628 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -417.051939 meV Im[Sigma]= 1433.090425 meV Z= 0.993292 lam= 0.006753 E( 4 )= -2.6397 eV Re[Sigma]= -418.167147 meV Im[Sigma]= 1429.927748 meV Z= 0.992378 lam= 0.007680 E( 5 )= -1.5697 eV Re[Sigma]= -256.868551 meV Im[Sigma]= 1003.998671 meV Z= 0.762681 lam= 0.311163 E( 6 )= -1.5697 eV Re[Sigma]= -272.087055 meV Im[Sigma]= 1011.633150 meV Z= 0.764345 lam= 0.308309 E( 7 )= 3.4484 eV Re[Sigma]= 811.243029 meV Im[Sigma]= 2113.889405 meV Z= 1.854040 lam= -0.460637 E( 8 )= 3.4484 eV Re[Sigma]= 810.576380 meV Im[Sigma]= 2110.718458 meV Z= 1.847403 lam= -0.458700 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.6637 eV Re[Sigma]= -988.493924 meV Im[Sigma]= 1467.848943 meV Z= 1.355341 lam= -0.262178 E( 4 )= -3.6555 eV Re[Sigma]= -989.481174 meV Im[Sigma]= 1480.310143 meV Z= 1.367802 lam= -0.268900 E( 5 )= -0.0889 eV Re[Sigma]= -254.433075 meV Im[Sigma]= 1536.381163 meV Z= 1.147303 lam= -0.128390 E( 6 )= -0.0671 eV Re[Sigma]= -248.957801 meV Im[Sigma]= 1571.999021 meV Z= 1.164355 lam= -0.141155 E( 7 )= 2.9121 eV Re[Sigma]= -6.428625 meV Im[Sigma]= 2929.721642 meV Z= 6.143736 lam= -0.837233 E( 8 )= 2.9443 eV Re[Sigma]= 29.914913 meV Im[Sigma]= 2959.597639 meV Z= 5.928538 lam= -0.831324 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -411.082887 meV Im[Sigma]= 1443.742911 meV Z= 0.992444 lam= 0.007614 E( 4 )= -2.6397 eV Re[Sigma]= -401.096109 meV Im[Sigma]= 1474.817324 meV Z= 1.001951 lam= -0.001947 E( 5 )= -1.5697 eV Re[Sigma]= -277.117595 meV Im[Sigma]= 1001.571696 meV Z= 0.761090 lam= 0.313905 E( 6 )= -1.5697 eV Re[Sigma]= -257.951854 meV Im[Sigma]= 991.968324 meV Z= 0.759225 lam= 0.317132 E( 7 )= 3.4484 eV Re[Sigma]= 828.194476 meV Im[Sigma]= 2096.774455 meV Z= 1.821233 lam= -0.450922 E( 8 )= 3.4484 eV Re[Sigma]= 825.748954 meV Im[Sigma]= 2089.067311 meV Z= 1.806346 lam= -0.446396 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -980.193744 meV Im[Sigma]= 1473.271665 meV Z= 1.355368 lam= -0.262193 E( 4 )= -3.6551 eV Re[Sigma]= -980.665021 meV Im[Sigma]= 1485.881027 meV Z= 1.368532 lam= -0.269290 E( 5 )= -0.0885 eV Re[Sigma]= -263.274097 meV Im[Sigma]= 1535.841221 meV Z= 1.140407 lam= -0.123120 E( 6 )= -0.0671 eV Re[Sigma]= -258.048446 meV Im[Sigma]= 1571.349523 meV Z= 1.157966 lam= -0.136417 E( 7 )= 2.9121 eV Re[Sigma]= 19.890414 meV Im[Sigma]= 2978.591028 meV Z= 7.952591 lam= -0.874255 E( 8 )= 2.9439 eV Re[Sigma]= 57.119014 meV Im[Sigma]= 3006.776731 meV Z= 7.471191 lam= -0.866153 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.3433 eV Re[Sigma]= -759.811881 meV Im[Sigma]= 1057.260588 meV Z= 1.378654 lam= -0.274655 E( 4 )= -3.3235 eV Re[Sigma]= -751.642698 meV Im[Sigma]= 1063.609501 meV Z= 1.379129 lam= -0.274905 E( 5 )= 0.4963 eV Re[Sigma]= -229.442511 meV Im[Sigma]= 1330.461413 meV Z= 1.112387 lam= -0.101032 E( 6 )= 0.5164 eV Re[Sigma]= -221.345927 meV Im[Sigma]= 1346.108503 meV Z= 1.126815 lam= -0.112543 E( 7 )= 2.3321 eV Re[Sigma]= -211.892405 meV Im[Sigma]= 1455.813258 meV Z= 1.287818 lam= -0.223493 E( 8 )= 2.3326 eV Re[Sigma]= -214.044170 meV Im[Sigma]= 1455.247859 meV Z= 1.287096 lam= -0.223057 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.5850 eV Re[Sigma]= -1030.490654 meV Im[Sigma]= 1850.504208 meV Z= 2.726406 lam= -0.633217 E( 4 )= -3.5736 eV Re[Sigma]= -1013.236013 meV Im[Sigma]= 1875.929428 meV Z= 2.963301 lam= -0.662538 E( 5 )= -0.5095 eV Re[Sigma]= -450.281225 meV Im[Sigma]= 1115.380317 meV Z= 1.062053 lam= -0.058428 E( 6 )= -0.5018 eV Re[Sigma]= -452.386952 meV Im[Sigma]= 1119.763365 meV Z= 1.074972 lam= -0.069743 E( 7 )= 1.3650 eV Re[Sigma]= -73.681699 meV Im[Sigma]= 1698.568132 meV Z= 1.071220 lam= -0.066485 E( 8 )= 1.3926 eV Re[Sigma]= -70.394767 meV Im[Sigma]= 1691.674467 meV Z= 1.040681 lam= -0.039090 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -981.342575 meV Im[Sigma]= 1466.682810 meV Z= 1.354144 lam= -0.261526 E( 4 )= -3.6552 eV Re[Sigma]= -981.336578 meV Im[Sigma]= 1479.328705 meV Z= 1.367164 lam= -0.268559 E( 5 )= -0.0885 eV Re[Sigma]= -257.902112 meV Im[Sigma]= 1542.571706 meV Z= 1.145013 lam= -0.126648 E( 6 )= -0.0674 eV Re[Sigma]= -252.807118 meV Im[Sigma]= 1576.427068 meV Z= 1.162454 lam= -0.139751 E( 7 )= 2.9119 eV Re[Sigma]= 13.187903 meV Im[Sigma]= 2972.128645 meV Z= 7.800099 lam= -0.871797 E( 8 )= 2.9445 eV Re[Sigma]= 50.835928 meV Im[Sigma]= 2999.079771 meV Z= 7.309154 lam= -0.863185 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6740 eV Re[Sigma]= -981.024307 meV Im[Sigma]= 597.505043 meV Z= 0.981528 lam= 0.018820 E( 4 )= -4.6608 eV Re[Sigma]= -984.728709 meV Im[Sigma]= 616.616529 meV Z= 0.985490 lam= 0.014724 E( 5 )= 2.8057 eV Re[Sigma]= 443.627696 meV Im[Sigma]= 3164.950329 meV Z= -10.676550 lam= -1.093663 E( 6 )= 2.8225 eV Re[Sigma]= 472.200517 meV Im[Sigma]= 3184.484319 meV Z= -9.760810 lam= -1.102451 E( 7 )= 4.6198 eV Re[Sigma]= 910.342427 meV Im[Sigma]= 1142.232184 meV Z= 1.006081 lam= -0.006044 E( 8 )= 4.6233 eV Re[Sigma]= 916.597944 meV Im[Sigma]= 1134.727220 meV Z= 1.001805 lam= -0.001802 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -691.403592 meV Im[Sigma]= 1677.370379 meV Z= 2.179723 lam= -0.541226 E( 4 )= -3.2356 eV Re[Sigma]= -672.765887 meV Im[Sigma]= 1680.831749 meV Z= 2.107477 lam= -0.525499 E( 5 )= 2.4481 eV Re[Sigma]= -15.253028 meV Im[Sigma]= 2431.491529 meV Z= 2.082114 lam= -0.519719 E( 6 )= 2.4799 eV Re[Sigma]= -0.528862 meV Im[Sigma]= 2469.112092 meV Z= 2.293432 lam= -0.563972 E( 7 )= 5.4117 eV Re[Sigma]= 756.409483 meV Im[Sigma]= 664.828456 meV Z= 1.052565 lam= -0.049939 E( 8 )= 5.4149 eV Re[Sigma]= 755.236152 meV Im[Sigma]= 666.520511 meV Z= 1.053140 lam= -0.050459 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -1.9718 eV Re[Sigma]= -478.096794 meV Im[Sigma]= 652.234603 meV Z= 0.946513 lam= 0.056509 E( 4 )= -1.9161 eV Re[Sigma]= -473.328733 meV Im[Sigma]= 644.200243 meV Z= 0.950007 lam= 0.052624 E( 5 )= 1.0019 eV Re[Sigma]= -217.310942 meV Im[Sigma]= 1564.962571 meV Z= 1.126370 lam= -0.112192 E( 6 )= 1.0769 eV Re[Sigma]= -211.280705 meV Im[Sigma]= 1533.399292 meV Z= 1.108970 lam= -0.098263 E( 7 )= 3.9746 eV Re[Sigma]= 815.538792 meV Im[Sigma]= 1667.914501 meV Z= 1.451571 lam= -0.311091 E( 8 )= 4.0146 eV Re[Sigma]= 836.374597 meV Im[Sigma]= 1651.553588 meV Z= 1.467601 lam= -0.318616 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -0.6549 eV Re[Sigma]= -413.810848 meV Im[Sigma]= 505.846700 meV Z= 0.924980 lam= 0.081104 E( 4 )= -0.6549 eV Re[Sigma]= -414.129003 meV Im[Sigma]= 506.546682 meV Z= 0.925122 lam= 0.080939 E( 5 )= 2.1592 eV Re[Sigma]= 89.278195 meV Im[Sigma]= 867.108770 meV Z= 1.088242 lam= -0.081087 E( 6 )= 2.1592 eV Re[Sigma]= 89.344589 meV Im[Sigma]= 867.184142 meV Z= 1.088100 lam= -0.080967 E( 7 )= 3.3797 eV Re[Sigma]= 291.369125 meV Im[Sigma]= 1144.614008 meV Z= 1.239311 lam= -0.193100 E( 8 )= 3.3797 eV Re[Sigma]= 291.372830 meV Im[Sigma]= 1144.500046 meV Z= 1.239035 lam= -0.192921 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.3433 eV Re[Sigma]= -759.452173 meV Im[Sigma]= 1055.697715 meV Z= 1.377706 lam= -0.274156 E( 4 )= -3.3234 eV Re[Sigma]= -751.386870 meV Im[Sigma]= 1062.808789 meV Z= 1.378716 lam= -0.274687 E( 5 )= 0.4963 eV Re[Sigma]= -222.233071 meV Im[Sigma]= 1326.643949 meV Z= 1.111345 lam= -0.100189 E( 6 )= 0.5167 eV Re[Sigma]= -214.545666 meV Im[Sigma]= 1342.717004 meV Z= 1.125595 lam= -0.111581 E( 7 )= 2.3319 eV Re[Sigma]= -216.927917 meV Im[Sigma]= 1452.170180 meV Z= 1.285117 lam= -0.221860 E( 8 )= 2.3323 eV Re[Sigma]= -215.578189 meV Im[Sigma]= 1454.381981 meV Z= 1.286867 lam= -0.222919 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -2.6397 eV Re[Sigma]= -410.724279 meV Im[Sigma]= 1427.682520 meV Z= 0.991306 lam= 0.008770 E( 4 )= -2.6397 eV Re[Sigma]= -401.268579 meV Im[Sigma]= 1456.653807 meV Z= 0.999814 lam= 0.000186 E( 5 )= -1.5697 eV Re[Sigma]= -282.151686 meV Im[Sigma]= 1005.939471 meV Z= 0.762485 lam= 0.311501 E( 6 )= -1.5697 eV Re[Sigma]= -278.637215 meV Im[Sigma]= 1004.190459 meV Z= 0.762301 lam= 0.311818 E( 7 )= 3.4484 eV Re[Sigma]= 797.678781 meV Im[Sigma]= 2085.026243 meV Z= 1.806012 lam= -0.446294 E( 8 )= 3.4484 eV Re[Sigma]= 796.728455 meV Im[Sigma]= 2084.070327 meV Z= 1.805135 lam= -0.446025 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.2612 eV Re[Sigma]= -691.750580 meV Im[Sigma]= 1679.225532 meV Z= 2.193275 lam= -0.544061 E( 4 )= -3.2361 eV Re[Sigma]= -673.299654 meV Im[Sigma]= 1682.460813 meV Z= 2.120314 lam= -0.528372 E( 5 )= 2.4481 eV Re[Sigma]= -32.729746 meV Im[Sigma]= 2437.484595 meV Z= 2.043425 lam= -0.510626 E( 6 )= 2.4798 eV Re[Sigma]= -17.929914 meV Im[Sigma]= 2478.332871 meV Z= 2.255790 lam= -0.556696 E( 7 )= 5.4116 eV Re[Sigma]= 748.347668 meV Im[Sigma]= 656.377935 meV Z= 1.055699 lam= -0.052760 E( 8 )= 5.4152 eV Re[Sigma]= 748.191704 meV Im[Sigma]= 657.392377 meV Z= 1.055976 lam= -0.053009 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -1.9925 eV Re[Sigma]= -594.411873 meV Im[Sigma]= 532.342067 meV Z= 0.927807 lam= 0.077810 E( 4 )= -1.9925 eV Re[Sigma]= -594.326012 meV Im[Sigma]= 532.257516 meV Z= 0.927832 lam= 0.077781 E( 5 )= 4.6996 eV Re[Sigma]= 809.217281 meV Im[Sigma]= 912.621622 meV Z= 1.057741 lam= -0.054589 E( 6 )= 4.6996 eV Re[Sigma]= 808.709762 meV Im[Sigma]= 913.170667 meV Z= 1.057880 lam= -0.054713 E( 7 )= 6.6655 eV Re[Sigma]= 767.033382 meV Im[Sigma]= 258.413434 meV Z= 0.932051 lam= 0.072902 E( 8 )= 6.6655 eV Re[Sigma]= 766.618156 meV Im[Sigma]= 257.876245 meV Z= 0.932047 lam= 0.072907 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -0.0698 eV Re[Sigma]= -425.386337 meV Im[Sigma]= 1057.639448 meV Z= 1.246448 lam= -0.197720 E( 4 )= -0.0222 eV Re[Sigma]= -409.169380 meV Im[Sigma]= 1088.091340 meV Z= 1.259308 lam= -0.205913 E( 5 )= 3.8448 eV Re[Sigma]= 527.901978 meV Im[Sigma]= 1428.463614 meV Z= 1.410190 lam= -0.290875 E( 6 )= 3.8979 eV Re[Sigma]= 543.950162 meV Im[Sigma]= 1423.785694 meV Z= 1.430267 lam= -0.300830 E( 7 )= 5.5416 eV Re[Sigma]= 851.702178 meV Im[Sigma]= 783.965284 meV Z= 1.097996 lam= -0.089250 E( 8 )= 5.5437 eV Re[Sigma]= 852.812614 meV Im[Sigma]= 790.073563 meV Z= 1.100254 lam= -0.091119 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -0.0702 eV Re[Sigma]= -427.443114 meV Im[Sigma]= 1055.914485 meV Z= 1.242971 lam= -0.195476 E( 4 )= -0.0219 eV Re[Sigma]= -411.397021 meV Im[Sigma]= 1087.541114 meV Z= 1.256181 lam= -0.203937 E( 5 )= 3.8446 eV Re[Sigma]= 529.041233 meV Im[Sigma]= 1427.156748 meV Z= 1.412342 lam= -0.291956 E( 6 )= 3.8983 eV Re[Sigma]= 544.516691 meV Im[Sigma]= 1422.293775 meV Z= 1.433240 lam= -0.302280 E( 7 )= 5.5415 eV Re[Sigma]= 850.457980 meV Im[Sigma]= 792.510636 meV Z= 1.103248 lam= -0.093586 E( 8 )= 5.5436 eV Re[Sigma]= 851.415665 meV Im[Sigma]= 799.692459 meV Z= 1.106186 lam= -0.095993 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -1.9718 eV Re[Sigma]= -476.901299 meV Im[Sigma]= 651.221929 meV Z= 0.946613 lam= 0.056398 E( 4 )= -1.9160 eV Re[Sigma]= -472.553459 meV Im[Sigma]= 643.073789 meV Z= 0.949914 lam= 0.052727 E( 5 )= 1.0018 eV Re[Sigma]= -211.782338 meV Im[Sigma]= 1565.490734 meV Z= 1.125203 lam= -0.111272 E( 6 )= 1.0772 eV Re[Sigma]= -206.155825 meV Im[Sigma]= 1532.340606 meV Z= 1.106081 lam= -0.095907 E( 7 )= 3.9750 eV Re[Sigma]= 816.792826 meV Im[Sigma]= 1665.368630 meV Z= 1.449795 lam= -0.310247 E( 8 )= 4.0140 eV Re[Sigma]= 837.208422 meV Im[Sigma]= 1651.482046 meV Z= 1.467309 lam= -0.318480 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.6641 eV Re[Sigma]= -981.884014 meV Im[Sigma]= 1472.378084 meV Z= 1.353666 lam= -0.261265 E( 4 )= -3.6550 eV Re[Sigma]= -982.199451 meV Im[Sigma]= 1485.833111 meV Z= 1.367649 lam= -0.268818 E( 5 )= -0.0877 eV Re[Sigma]= -263.135701 meV Im[Sigma]= 1545.985782 meV Z= 1.146405 lam= -0.127708 E( 6 )= -0.0675 eV Re[Sigma]= -257.769014 meV Im[Sigma]= 1581.180260 meV Z= 1.163809 lam= -0.140753 E( 7 )= 2.9126 eV Re[Sigma]= 13.570941 meV Im[Sigma]= 2972.457474 meV Z= 7.572730 lam= -0.867947 E( 8 )= 2.9430 eV Re[Sigma]= 49.358475 meV Im[Sigma]= 2999.051829 meV Z= 7.148302 lam= -0.860107 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -1.9717 eV Re[Sigma]= -478.101374 meV Im[Sigma]= 645.278068 meV Z= 0.947082 lam= 0.055875 E( 4 )= -1.9160 eV Re[Sigma]= -473.879709 meV Im[Sigma]= 637.221771 meV Z= 0.950277 lam= 0.052325 E( 5 )= 1.0009 eV Re[Sigma]= -224.569239 meV Im[Sigma]= 1572.937633 meV Z= 1.133452 lam= -0.117739 E( 6 )= 1.0774 eV Re[Sigma]= -218.293500 meV Im[Sigma]= 1541.892283 meV Z= 1.115020 lam= -0.103155 E( 7 )= 3.9744 eV Re[Sigma]= 799.027158 meV Im[Sigma]= 1692.451079 meV Z= 1.473866 lam= -0.321512 E( 8 )= 4.0151 eV Re[Sigma]= 820.481005 meV Im[Sigma]= 1676.135334 meV Z= 1.491000 lam= -0.329309 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -0.0706 eV Re[Sigma]= -418.268090 meV Im[Sigma]= 1055.782089 meV Z= 1.247810 lam= -0.198596 E( 4 )= -0.0217 eV Re[Sigma]= -402.890913 meV Im[Sigma]= 1086.117950 meV Z= 1.260477 lam= -0.206650 E( 5 )= 3.8444 eV Re[Sigma]= 534.079877 meV Im[Sigma]= 1491.271473 meV Z= 1.460368 lam= -0.315241 E( 6 )= 3.8982 eV Re[Sigma]= 551.067665 meV Im[Sigma]= 1484.245482 meV Z= 1.480840 lam= -0.324708 E( 7 )= 5.5422 eV Re[Sigma]= 840.744464 meV Im[Sigma]= 759.259777 meV Z= 1.092006 lam= -0.084254 E( 8 )= 5.5434 eV Re[Sigma]= 841.997941 meV Im[Sigma]= 768.137277 meV Z= 1.095522 lam= -0.087193 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 3 )= 1.1982 eV Re[Sigma]= -1.273343 meV Im[Sigma]= 1077.999565 meV Z= 1.045752 lam= -0.043750 E( 4 )= 1.2957 eV Re[Sigma]= 18.793052 meV Im[Sigma]= 1060.063228 meV Z= 1.018349 lam= -0.018019 E( 5 )= 4.0593 eV Re[Sigma]= 655.829082 meV Im[Sigma]= 1861.857323 meV Z= 2.041257 lam= -0.510106 E( 6 )= 4.1711 eV Re[Sigma]= 736.887350 meV Im[Sigma]= 1830.571458 meV Z= 1.930575 lam= -0.482020 E( 7 )= 6.8267 eV Re[Sigma]= 517.681055 meV Im[Sigma]= 188.936850 meV Z= 0.971093 lam= 0.029768 E( 8 )= 6.8351 eV Re[Sigma]= 516.316027 meV Im[Sigma]= 181.977857 meV Z= 0.968416 lam= 0.032614 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 3 )= 3.4114 eV Re[Sigma]= 400.317560 meV Im[Sigma]= 1144.924992 meV Z= 1.223838 lam= -0.182899 E( 4 )= 3.4122 eV Re[Sigma]= 400.254521 meV Im[Sigma]= 1144.760736 meV Z= 1.223100 lam= -0.182406 E( 5 )= 6.3634 eV Re[Sigma]= 571.349311 meV Im[Sigma]= 286.046982 meV Z= 0.969174 lam= 0.031807 E( 6 )= 6.3645 eV Re[Sigma]= 571.795640 meV Im[Sigma]= 286.098011 meV Z= 0.969094 lam= 0.031892 E( 7 )= 7.7485 eV Re[Sigma]= 439.393037 meV Im[Sigma]= 24.856231 meV Z= 0.933705 lam= 0.071002 E( 8 )= 7.7513 eV Re[Sigma]= 441.982979 meV Im[Sigma]= 24.362331 meV Z= 0.933091 lam= 0.071707 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 3 )= 1.1978 eV Re[Sigma]= -11.754220 meV Im[Sigma]= 1070.083158 meV Z= 1.041940 lam= -0.040251 E( 4 )= 1.2962 eV Re[Sigma]= 8.301875 meV Im[Sigma]= 1055.799717 meV Z= 1.015742 lam= -0.015498 E( 5 )= 4.0595 eV Re[Sigma]= 665.197240 meV Im[Sigma]= 1915.229444 meV Z= 2.185433 lam= -0.542425 E( 6 )= 4.1714 eV Re[Sigma]= 750.800877 meV Im[Sigma]= 1881.183890 meV Z= 2.051384 lam= -0.512524 E( 7 )= 6.8270 eV Re[Sigma]= 515.976182 meV Im[Sigma]= 185.449227 meV Z= 0.970516 lam= 0.030380 E( 8 )= 6.8341 eV Re[Sigma]= 514.112132 meV Im[Sigma]= 178.542293 meV Z= 0.968092 lam= 0.032960 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -695.521029 meV Im[Sigma]= 1678.739312 meV Z= 2.180611 lam= -0.541413 E( 4 )= -3.2356 eV Re[Sigma]= -676.539371 meV Im[Sigma]= 1681.363819 meV Z= 2.104809 lam= -0.524898 E( 5 )= 2.4487 eV Re[Sigma]= -13.353509 meV Im[Sigma]= 2430.405300 meV Z= 2.034883 lam= -0.508571 E( 6 )= 2.4804 eV Re[Sigma]= 1.012655 meV Im[Sigma]= 2469.465344 meV Z= 2.243333 lam= -0.554235 E( 7 )= 5.4112 eV Re[Sigma]= 753.759876 meV Im[Sigma]= 645.595495 meV Z= 1.050641 lam= -0.048200 E( 8 )= 5.4142 eV Re[Sigma]= 752.773923 meV Im[Sigma]= 646.369273 meV Z= 1.050346 lam= -0.047933 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -978.680293 meV Im[Sigma]= 597.005602 meV Z= 0.981678 lam= 0.018664 E( 4 )= -4.6605 eV Re[Sigma]= -982.327829 meV Im[Sigma]= 616.519374 meV Z= 0.985754 lam= 0.014452 E( 5 )= 2.8059 eV Re[Sigma]= 444.039431 meV Im[Sigma]= 3207.420918 meV Z= -8.669289 lam= -1.115350 E( 6 )= 2.8234 eV Re[Sigma]= 474.486795 meV Im[Sigma]= 3227.463582 meV Z= -8.133426 lam= -1.122949 E( 7 )= 4.6190 eV Re[Sigma]= 906.959046 meV Im[Sigma]= 1137.436129 meV Z= 1.010118 lam= -0.010017 E( 8 )= 4.6227 eV Re[Sigma]= 913.176594 meV Im[Sigma]= 1130.157272 meV Z= 1.006096 lam= -0.006059 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -0.0702 eV Re[Sigma]= -417.522307 meV Im[Sigma]= 1039.351933 meV Z= 1.244021 lam= -0.196155 E( 4 )= -0.0220 eV Re[Sigma]= -401.681959 meV Im[Sigma]= 1068.332724 meV Z= 1.255514 lam= -0.203513 E( 5 )= 3.8441 eV Re[Sigma]= 522.833379 meV Im[Sigma]= 1460.138003 meV Z= 1.433112 lam= -0.302218 E( 6 )= 3.8979 eV Re[Sigma]= 539.328117 meV Im[Sigma]= 1456.452288 meV Z= 1.457062 lam= -0.313687 E( 7 )= 5.5421 eV Re[Sigma]= 846.872878 meV Im[Sigma]= 770.307051 meV Z= 1.096346 lam= -0.087879 E( 8 )= 5.5441 eV Re[Sigma]= 847.717911 meV Im[Sigma]= 776.938478 meV Z= 1.099068 lam= -0.090138 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 3 )= 3.4353 eV Re[Sigma]= 501.527962 meV Im[Sigma]= 1064.656037 meV Z= 1.164067 lam= -0.140943 E( 4 )= 3.4363 eV Re[Sigma]= 500.958255 meV Im[Sigma]= 1063.896987 meV Z= 1.163935 lam= -0.140845 E( 5 )= 6.1185 eV Re[Sigma]= 522.820519 meV Im[Sigma]= 196.965676 meV Z= 0.940826 lam= 0.062896 E( 6 )= 6.1198 eV Re[Sigma]= 522.388191 meV Im[Sigma]= 195.594177 meV Z= 0.940579 lam= 0.063175 E( 7 )= 6.6654 eV Re[Sigma]= 599.123657 meV Im[Sigma]= 303.996219 meV Z= 1.006567 lam= -0.006525 E( 8 )= 6.6660 eV Re[Sigma]= 599.732816 meV Im[Sigma]= 304.532699 meV Z= 1.006608 lam= -0.006565 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 3 )= 1.1979 eV Re[Sigma]= -17.091675 meV Im[Sigma]= 1072.628641 meV Z= 1.046131 lam= -0.044097 E( 4 )= 1.2957 eV Re[Sigma]= 3.553127 meV Im[Sigma]= 1059.711822 meV Z= 1.020302 lam= -0.019898 E( 5 )= 4.0588 eV Re[Sigma]= 661.401506 meV Im[Sigma]= 1895.776983 meV Z= 2.125753 lam= -0.529579 E( 6 )= 4.1716 eV Re[Sigma]= 745.944357 meV Im[Sigma]= 1864.451217 meV Z= 2.007996 lam= -0.501991 E( 7 )= 6.8266 eV Re[Sigma]= 517.353340 meV Im[Sigma]= 198.128379 meV Z= 0.977715 lam= 0.022793 E( 8 )= 6.8356 eV Re[Sigma]= 515.526982 meV Im[Sigma]= 190.288473 meV Z= 0.974839 lam= 0.025810 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -0.0705 eV Re[Sigma]= -417.973217 meV Im[Sigma]= 1052.936805 meV Z= 1.249798 lam= -0.199871 E( 4 )= -0.0218 eV Re[Sigma]= -401.957187 meV Im[Sigma]= 1082.951239 meV Z= 1.261987 lam= -0.207599 E( 5 )= 3.8445 eV Re[Sigma]= 528.980171 meV Im[Sigma]= 1462.947646 meV Z= 1.431622 lam= -0.301492 E( 6 )= 3.8983 eV Re[Sigma]= 546.064410 meV Im[Sigma]= 1457.510814 meV Z= 1.453144 lam= -0.311837 E( 7 )= 5.5416 eV Re[Sigma]= 846.968636 meV Im[Sigma]= 770.708791 meV Z= 1.097195 lam= -0.088585 E( 8 )= 5.5437 eV Re[Sigma]= 848.238677 meV Im[Sigma]= 778.064149 meV Z= 1.100272 lam= -0.091134 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -1.9720 eV Re[Sigma]= -475.380727 meV Im[Sigma]= 652.475905 meV Z= 0.948863 lam= 0.053893 E( 4 )= -1.9155 eV Re[Sigma]= -470.796265 meV Im[Sigma]= 643.928594 meV Z= 0.952105 lam= 0.050304 E( 5 )= 1.0011 eV Re[Sigma]= -231.397321 meV Im[Sigma]= 1545.553727 meV Z= 1.119230 lam= -0.106529 E( 6 )= 1.0771 eV Re[Sigma]= -225.557001 meV Im[Sigma]= 1514.943798 meV Z= 1.101261 lam= -0.091950 E( 7 )= 3.9747 eV Re[Sigma]= 817.221973 meV Im[Sigma]= 1667.144997 meV Z= 1.449418 lam= -0.310068 E( 8 )= 4.0145 eV Re[Sigma]= 837.071321 meV Im[Sigma]= 1652.160176 meV Z= 1.466276 lam= -0.318000 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.6636 eV Re[Sigma]= -981.808839 meV Im[Sigma]= 1473.267002 meV Z= 1.357903 lam= -0.263571 E( 4 )= -3.6553 eV Re[Sigma]= -982.327930 meV Im[Sigma]= 1486.810139 meV Z= 1.371702 lam= -0.270979 E( 5 )= -0.0879 eV Re[Sigma]= -251.503139 meV Im[Sigma]= 1538.958768 meV Z= 1.146580 lam= -0.127841 E( 6 )= -0.0675 eV Re[Sigma]= -245.733680 meV Im[Sigma]= 1570.204347 meV Z= 1.162124 lam= -0.139507 E( 7 )= 2.9132 eV Re[Sigma]= 6.444641 meV Im[Sigma]= 2990.399046 meV Z= 8.163229 lam= -0.877499 E( 8 )= 2.9425 eV Re[Sigma]= 41.788376 meV Im[Sigma]= 3014.689908 meV Z= 7.598211 lam= -0.868390 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -1.9719 eV Re[Sigma]= -476.037889 meV Im[Sigma]= 644.363834 meV Z= 0.949372 lam= 0.053328 E( 4 )= -1.9156 eV Re[Sigma]= -470.999205 meV Im[Sigma]= 636.258421 meV Z= 0.952907 lam= 0.049421 E( 5 )= 1.0012 eV Re[Sigma]= -210.115832 meV Im[Sigma]= 1534.831986 meV Z= 1.127207 lam= -0.112852 E( 6 )= 1.0770 eV Re[Sigma]= -205.403683 meV Im[Sigma]= 1506.301802 meV Z= 1.109333 lam= -0.098558 E( 7 )= 3.9747 eV Re[Sigma]= 801.284235 meV Im[Sigma]= 1711.417187 meV Z= 1.486064 lam= -0.327081 E( 8 )= 4.0147 eV Re[Sigma]= 823.266214 meV Im[Sigma]= 1695.014605 meV Z= 1.501034 lam= -0.333793 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 3 )= -0.0705 eV Re[Sigma]= -416.886234 meV Im[Sigma]= 1031.366345 meV Z= 1.237215 lam= -0.191733 E( 4 )= -0.0218 eV Re[Sigma]= -401.457926 meV Im[Sigma]= 1060.263511 meV Z= 1.248953 lam= -0.199330 E( 5 )= 3.8440 eV Re[Sigma]= 529.669778 meV Im[Sigma]= 1463.242945 meV Z= 1.430434 lam= -0.300912 E( 6 )= 3.8984 eV Re[Sigma]= 546.071466 meV Im[Sigma]= 1459.527002 meV Z= 1.455059 lam= -0.312743 E( 7 )= 5.5422 eV Re[Sigma]= 842.436931 meV Im[Sigma]= 758.411778 meV Z= 1.088435 lam= -0.081249 E( 8 )= 5.5435 eV Re[Sigma]= 843.229927 meV Im[Sigma]= 765.304313 meV Z= 1.091211 lam= -0.083587 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 3 )= -3.2612 eV Re[Sigma]= -688.093075 meV Im[Sigma]= 1685.874899 meV Z= 2.208008 lam= -0.547103 E( 4 )= -3.2360 eV Re[Sigma]= -669.568734 meV Im[Sigma]= 1688.839727 meV Z= 2.133286 lam= -0.531240 E( 5 )= 2.4480 eV Re[Sigma]= -20.080889 meV Im[Sigma]= 2453.810076 meV Z= 2.134638 lam= -0.531537 E( 6 )= 2.4797 eV Re[Sigma]= -5.158673 meV Im[Sigma]= 2494.080982 meV Z= 2.367275 lam= -0.577573 E( 7 )= 5.4117 eV Re[Sigma]= 751.722158 meV Im[Sigma]= 662.772689 meV Z= 1.051156 lam= -0.048666 E( 8 )= 5.4153 eV Re[Sigma]= 751.381408 meV Im[Sigma]= 663.276758 meV Z= 1.051256 lam= -0.048757 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -1.9716 eV Re[Sigma]= -468.228942 meV Im[Sigma]= 650.678981 meV Z= 0.948101 lam= 0.054739 E( 4 )= -1.9162 eV Re[Sigma]= -463.263526 meV Im[Sigma]= 642.755002 meV Z= 0.951533 lam= 0.050935 E( 5 )= 1.0014 eV Re[Sigma]= -211.802567 meV Im[Sigma]= 1561.343884 meV Z= 1.126077 lam= -0.111962 E( 6 )= 1.0771 eV Re[Sigma]= -206.305818 meV Im[Sigma]= 1529.823262 meV Z= 1.107822 lam= -0.097328 E( 7 )= 3.9745 eV Re[Sigma]= 811.463151 meV Im[Sigma]= 1701.325498 meV Z= 1.483802 lam= -0.326056 E( 8 )= 4.0151 eV Re[Sigma]= 833.139470 meV Im[Sigma]= 1684.704734 meV Z= 1.500024 lam= -0.333344 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.3432 eV Re[Sigma]= -759.256780 meV Im[Sigma]= 1052.186711 meV Z= 1.375732 lam= -0.273114 E( 4 )= -3.3234 eV Re[Sigma]= -751.369248 meV Im[Sigma]= 1058.647053 meV Z= 1.376142 lam= -0.273331 E( 5 )= 0.4957 eV Re[Sigma]= -228.743243 meV Im[Sigma]= 1352.003003 meV Z= 1.123292 lam= -0.109760 E( 6 )= 0.5169 eV Re[Sigma]= -220.652585 meV Im[Sigma]= 1365.531592 meV Z= 1.136407 lam= -0.120034 E( 7 )= 2.3317 eV Re[Sigma]= -219.190712 meV Im[Sigma]= 1452.282361 meV Z= 1.276293 lam= -0.216481 E( 8 )= 2.3327 eV Re[Sigma]= -217.329604 meV Im[Sigma]= 1455.048714 meV Z= 1.278494 lam= -0.217830 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.5842 eV Re[Sigma]= -1031.420512 meV Im[Sigma]= 1853.128686 meV Z= 2.737314 lam= -0.634678 E( 4 )= -3.5739 eV Re[Sigma]= -1015.520116 meV Im[Sigma]= 1880.023420 meV Z= 2.978856 lam= -0.664301 E( 5 )= -0.5088 eV Re[Sigma]= -457.938830 meV Im[Sigma]= 1125.607078 meV Z= 1.068506 lam= -0.064113 E( 6 )= -0.5032 eV Re[Sigma]= -460.458167 meV Im[Sigma]= 1129.236406 meV Z= 1.079292 lam= -0.073466 E( 7 )= 1.3666 eV Re[Sigma]= -68.047218 meV Im[Sigma]= 1707.279047 meV Z= 1.062639 lam= -0.058946 E( 8 )= 1.3911 eV Re[Sigma]= -65.202819 meV Im[Sigma]= 1701.739297 meV Z= 1.033936 lam= -0.032822 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 3 )= -3.6642 eV Re[Sigma]= -981.380027 meV Im[Sigma]= 1472.943280 meV Z= 1.357076 lam= -0.263122 E( 4 )= -3.6551 eV Re[Sigma]= -981.543660 meV Im[Sigma]= 1485.678088 meV Z= 1.370933 lam= -0.270570 E( 5 )= -0.0880 eV Re[Sigma]= -242.934456 meV Im[Sigma]= 1536.731529 meV Z= 1.144133 lam= -0.125976 E( 6 )= -0.0673 eV Re[Sigma]= -237.044785 meV Im[Sigma]= 1568.856637 meV Z= 1.160278 lam= -0.138137 E( 7 )= 2.9126 eV Re[Sigma]= 1.666801 meV Im[Sigma]= 2979.620739 meV Z= 7.722068 lam= -0.870501 E( 8 )= 2.9432 eV Re[Sigma]= 37.820023 meV Im[Sigma]= 3005.842015 meV Z= 7.235141 lam= -0.861786 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -977.923278 meV Im[Sigma]= 597.012778 meV Z= 0.981875 lam= 0.018460 E( 4 )= -4.6608 eV Re[Sigma]= -981.162308 meV Im[Sigma]= 616.013379 meV Z= 0.985840 lam= 0.014363 E( 5 )= 2.8059 eV Re[Sigma]= 448.050315 meV Im[Sigma]= 3206.286184 meV Z= -8.709231 lam= -1.114821 E( 6 )= 2.8231 eV Re[Sigma]= 478.384003 meV Im[Sigma]= 3226.839857 meV Z= -8.139932 lam= -1.122851 E( 7 )= 4.6195 eV Re[Sigma]= 898.798455 meV Im[Sigma]= 1129.890631 meV Z= 1.007237 lam= -0.007185 E( 8 )= 4.6229 eV Re[Sigma]= 904.549238 meV Im[Sigma]= 1122.637414 meV Z= 1.003443 lam= -0.003431 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 3 )= -4.6738 eV Re[Sigma]= -982.272905 meV Im[Sigma]= 599.604699 meV Z= 0.981732 lam= 0.018608 E( 4 )= -4.6608 eV Re[Sigma]= -985.958523 meV Im[Sigma]= 619.054506 meV Z= 0.985832 lam= 0.014372 E( 5 )= 2.8062 eV Re[Sigma]= 458.757154 meV Im[Sigma]= 3230.937567 meV Z= -8.178348 lam= -1.122274 E( 6 )= 2.8225 eV Re[Sigma]= 486.501680 meV Im[Sigma]= 3250.761005 meV Z= -7.653308 lam= -1.130662 E( 7 )= 4.6198 eV Re[Sigma]= 898.116208 meV Im[Sigma]= 1130.819459 meV Z= 1.006695 lam= -0.006651 E( 8 )= 4.6227 eV Re[Sigma]= 904.468746 meV Im[Sigma]= 1125.259307 meV Z= 1.003189 lam= -0.003179 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 3 )= -3.6640 eV Re[Sigma]= -985.098139 meV Im[Sigma]= 1464.776273 meV Z= 1.353967 lam= -0.261429 E( 4 )= -3.6552 eV Re[Sigma]= -985.669430 meV Im[Sigma]= 1477.442948 meV Z= 1.366958 lam= -0.268449 E( 5 )= -0.0884 eV Re[Sigma]= -256.819189 meV Im[Sigma]= 1541.762187 meV Z= 1.152002 lam= -0.131946 E( 6 )= -0.0674 eV Re[Sigma]= -250.455640 meV Im[Sigma]= 1575.588004 meV Z= 1.168478 lam= -0.144186 E( 7 )= 2.9125 eV Re[Sigma]= -5.248951 meV Im[Sigma]= 2937.346756 meV Z= 6.336994 lam= -0.842196 E( 8 )= 2.9438 eV Re[Sigma]= 29.604590 meV Im[Sigma]= 2966.536964 meV Z= 6.097562 lam= -0.836000 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.5847 eV Re[Sigma]= -1029.170510 meV Im[Sigma]= 1845.330512 meV Z= 2.710761 lam= -0.631100 E( 4 )= -3.5736 eV Re[Sigma]= -1012.123896 meV Im[Sigma]= 1873.438179 meV Z= 2.959078 lam= -0.662057 E( 5 )= -0.5093 eV Re[Sigma]= -466.201891 meV Im[Sigma]= 1133.804811 meV Z= 1.069956 lam= -0.065383 E( 6 )= -0.5024 eV Re[Sigma]= -468.730760 meV Im[Sigma]= 1136.846742 meV Z= 1.081940 lam= -0.075734 E( 7 )= 1.3654 eV Re[Sigma]= -64.702093 meV Im[Sigma]= 1704.618538 meV Z= 1.062366 lam= -0.058705 E( 8 )= 1.3921 eV Re[Sigma]= -63.281664 meV Im[Sigma]= 1696.902999 meV Z= 1.032158 lam= -0.031156 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.3435 eV Re[Sigma]= -758.896775 meV Im[Sigma]= 1057.970564 meV Z= 1.380361 lam= -0.275552 E( 4 )= -3.3232 eV Re[Sigma]= -750.728691 meV Im[Sigma]= 1065.015813 meV Z= 1.381208 lam= -0.275996 E( 5 )= 0.4956 eV Re[Sigma]= -230.762325 meV Im[Sigma]= 1350.410479 meV Z= 1.121523 lam= -0.108355 E( 6 )= 0.5169 eV Re[Sigma]= -222.742681 meV Im[Sigma]= 1364.324378 meV Z= 1.134958 lam= -0.118910 E( 7 )= 2.3320 eV Re[Sigma]= -221.871496 meV Im[Sigma]= 1451.278477 meV Z= 1.274283 lam= -0.215245 E( 8 )= 2.3326 eV Re[Sigma]= -218.187562 meV Im[Sigma]= 1455.234860 meV Z= 1.277627 lam= -0.217299 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 3 )= -1.9721 eV Re[Sigma]= -477.094749 meV Im[Sigma]= 648.791958 meV Z= 0.947426 lam= 0.055491 E( 4 )= -1.9156 eV Re[Sigma]= -472.572137 meV Im[Sigma]= 640.396512 meV Z= 0.950775 lam= 0.051774 E( 5 )= 1.0012 eV Re[Sigma]= -231.304234 meV Im[Sigma]= 1543.059883 meV Z= 1.117575 lam= -0.105206 E( 6 )= 1.0774 eV Re[Sigma]= -225.544471 meV Im[Sigma]= 1511.777482 meV Z= 1.099706 lam= -0.090666 E( 7 )= 3.9744 eV Re[Sigma]= 820.296189 meV Im[Sigma]= 1677.569534 meV Z= 1.454239 lam= -0.312355 E( 8 )= 4.0150 eV Re[Sigma]= 841.580486 meV Im[Sigma]= 1660.711709 meV Z= 1.470095 lam= -0.319772 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 3 )= -3.2615 eV Re[Sigma]= -694.296657 meV Im[Sigma]= 1683.016712 meV Z= 2.188847 lam= -0.543139 E( 4 )= -3.2357 eV Re[Sigma]= -675.432676 meV Im[Sigma]= 1686.004088 meV Z= 2.114117 lam= -0.526989 E( 5 )= 2.4484 eV Re[Sigma]= -17.993942 meV Im[Sigma]= 2429.949221 meV Z= 2.034457 lam= -0.508468 E( 6 )= 2.4803 eV Re[Sigma]= -3.807430 meV Im[Sigma]= 2467.720862 meV Z= 2.240082 lam= -0.553588 E( 7 )= 5.4112 eV Re[Sigma]= 752.876446 meV Im[Sigma]= 652.875970 meV Z= 1.053562 lam= -0.050839 E( 8 )= 5.4149 eV Re[Sigma]= 752.123394 meV Im[Sigma]= 654.670259 meV Z= 1.053869 lam= -0.051116 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 3 )= -0.0699 eV Re[Sigma]= -423.355354 meV Im[Sigma]= 1062.884620 meV Z= 1.248568 lam= -0.199083 E( 4 )= -0.0221 eV Re[Sigma]= -406.944218 meV Im[Sigma]= 1094.695249 meV Z= 1.262348 lam= -0.207826 E( 5 )= 3.8449 eV Re[Sigma]= 540.745470 meV Im[Sigma]= 1445.934577 meV Z= 1.418428 lam= -0.294994 E( 6 )= 3.8984 eV Re[Sigma]= 556.671066 meV Im[Sigma]= 1440.506495 meV Z= 1.438997 lam= -0.305072 E( 7 )= 5.5412 eV Re[Sigma]= 838.185461 meV Im[Sigma]= 785.099847 meV Z= 1.103691 lam= -0.093949 E( 8 )= 5.5433 eV Re[Sigma]= 839.582773 meV Im[Sigma]= 792.027573 meV Z= 1.106622 lam= -0.096349 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 3 )= -1.9716 eV Re[Sigma]= -474.201163 meV Im[Sigma]= 647.690789 meV Z= 0.949555 lam= 0.053125 E( 4 )= -1.9160 eV Re[Sigma]= -468.292098 meV Im[Sigma]= 640.218758 meV Z= 0.953068 lam= 0.049244 E( 5 )= 1.0019 eV Re[Sigma]= -230.887313 meV Im[Sigma]= 1535.168819 meV Z= 1.116914 lam= -0.104676 E( 6 )= 1.0768 eV Re[Sigma]= -223.126434 meV Im[Sigma]= 1506.320321 meV Z= 1.100931 lam= -0.091678 E( 7 )= 3.9749 eV Re[Sigma]= 815.599875 meV Im[Sigma]= 1664.266363 meV Z= 1.447527 lam= -0.309167 E( 8 )= 4.0141 eV Re[Sigma]= 836.585735 meV Im[Sigma]= 1649.106068 meV Z= 1.463797 lam= -0.316845 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 3 )= -3.6636 eV Re[Sigma]= -987.126798 meV Im[Sigma]= 1462.942958 meV Z= 1.351640 lam= -0.260158 E( 4 )= -3.6553 eV Re[Sigma]= -987.983087 meV Im[Sigma]= 1475.914198 meV Z= 1.364428 lam= -0.267092 E( 5 )= -0.0882 eV Re[Sigma]= -261.647994 meV Im[Sigma]= 1526.556904 meV Z= 1.144434 lam= -0.126206 E( 6 )= -0.0675 eV Re[Sigma]= -256.174988 meV Im[Sigma]= 1560.307411 meV Z= 1.160383 lam= -0.138216 E( 7 )= 2.9124 eV Re[Sigma]= -6.503837 meV Im[Sigma]= 2938.561280 meV Z= 6.244425 lam= -0.839857 E( 8 )= 2.9436 eV Re[Sigma]= 28.465607 meV Im[Sigma]= 2968.379509 meV Z= 6.040448 lam= -0.834449 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 3 )= -1.9717 eV Re[Sigma]= -465.409011 meV Im[Sigma]= 643.081406 meV Z= 0.946264 lam= 0.056788 E( 4 )= -1.9160 eV Re[Sigma]= -460.468120 meV Im[Sigma]= 634.860610 meV Z= 0.949300 lam= 0.053408 E( 5 )= 1.0009 eV Re[Sigma]= -219.645856 meV Im[Sigma]= 1559.891625 meV Z= 1.126422 lam= -0.112233 E( 6 )= 1.0775 eV Re[Sigma]= -213.763590 meV Im[Sigma]= 1528.408327 meV Z= 1.108484 lam= -0.097867 E( 7 )= 3.9744 eV Re[Sigma]= 811.591928 meV Im[Sigma]= 1709.951834 meV Z= 1.494146 lam= -0.330721 E( 8 )= 4.0150 eV Re[Sigma]= 834.004154 meV Im[Sigma]= 1693.077173 meV Z= 1.510134 lam= -0.337807 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 3 )= -0.0701 eV Re[Sigma]= -419.459950 meV Im[Sigma]= 1039.480607 meV Z= 1.240496 lam= -0.193871 E( 4 )= -0.0221 eV Re[Sigma]= -404.177994 meV Im[Sigma]= 1070.082475 meV Z= 1.253220 lam= -0.202055 E( 5 )= 3.8444 eV Re[Sigma]= 524.813256 meV Im[Sigma]= 1474.483757 meV Z= 1.449077 lam= -0.309906 E( 6 )= 3.8981 eV Re[Sigma]= 542.603384 meV Im[Sigma]= 1469.071230 meV Z= 1.470041 lam= -0.319747 E( 7 )= 5.5419 eV Re[Sigma]= 854.085356 meV Im[Sigma]= 762.600548 meV Z= 1.090976 lam= -0.083389 E( 8 )= 5.5438 eV Re[Sigma]= 855.574980 meV Im[Sigma]= 769.017102 meV Z= 1.093497 lam= -0.085503 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 3 )= 1.1993 eV Re[Sigma]= -9.535482 meV Im[Sigma]= 1071.795691 meV Z= 1.044456 lam= -0.042564 E( 4 )= 1.2949 eV Re[Sigma]= 10.528187 meV Im[Sigma]= 1056.722150 meV Z= 1.018401 lam= -0.018068 E( 5 )= 4.0595 eV Re[Sigma]= 664.046713 meV Im[Sigma]= 1926.072191 meV Z= 2.210479 lam= -0.547609 E( 6 )= 4.1708 eV Re[Sigma]= 749.620893 meV Im[Sigma]= 1891.575989 meV Z= 2.071994 lam= -0.517373 E( 7 )= 6.8267 eV Re[Sigma]= 519.595699 meV Im[Sigma]= 192.938343 meV Z= 0.973575 lam= 0.027142 E( 8 )= 6.8349 eV Re[Sigma]= 518.102408 meV Im[Sigma]= 186.198586 meV Z= 0.971116 lam= 0.029743 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 3 )= 3.4358 eV Re[Sigma]= 516.413624 meV Im[Sigma]= 1070.778898 meV Z= 1.161200 lam= -0.138822 E( 4 )= 3.4366 eV Re[Sigma]= 516.672086 meV Im[Sigma]= 1071.003073 meV Z= 1.161359 lam= -0.138940 E( 5 )= 6.1185 eV Re[Sigma]= 523.873631 meV Im[Sigma]= 200.832445 meV Z= 0.941492 lam= 0.062144 E( 6 )= 6.1196 eV Re[Sigma]= 524.040923 meV Im[Sigma]= 201.852485 meV Z= 0.941723 lam= 0.061883 E( 7 )= 6.6651 eV Re[Sigma]= 594.111083 meV Im[Sigma]= 309.387627 meV Z= 1.008480 lam= -0.008409 E( 8 )= 6.6656 eV Re[Sigma]= 595.157674 meV Im[Sigma]= 310.636773 meV Z= 1.008668 lam= -0.008594 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 3 )= -0.0700 eV Re[Sigma]= -425.771348 meV Im[Sigma]= 1064.682838 meV Z= 1.246795 lam= -0.197944 E( 4 )= -0.0221 eV Re[Sigma]= -409.664459 meV Im[Sigma]= 1096.786354 meV Z= 1.260391 lam= -0.206596 E( 5 )= 3.8448 eV Re[Sigma]= 544.075056 meV Im[Sigma]= 1439.922959 meV Z= 1.409610 lam= -0.290584 E( 6 )= 3.8986 eV Re[Sigma]= 560.111546 meV Im[Sigma]= 1434.875256 meV Z= 1.431016 lam= -0.301196 E( 7 )= 5.5409 eV Re[Sigma]= 835.814942 meV Im[Sigma]= 779.032694 meV Z= 1.100475 lam= -0.091302 E( 8 )= 5.5435 eV Re[Sigma]= 837.087888 meV Im[Sigma]= 786.304022 meV Z= 1.103654 lam= -0.093919 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 3 )= -4.6739 eV Re[Sigma]= -982.688156 meV Im[Sigma]= 600.127796 meV Z= 0.981863 lam= 0.018472 E( 4 )= -4.6605 eV Re[Sigma]= -986.470771 meV Im[Sigma]= 619.924570 meV Z= 0.986055 lam= 0.014142 E( 5 )= 2.8067 eV Re[Sigma]= 455.412596 meV Im[Sigma]= 3234.765562 meV Z= -8.174518 lam= -1.122331 E( 6 )= 2.8226 eV Re[Sigma]= 483.035375 meV Im[Sigma]= 3255.765169 meV Z= -7.585154 lam= -1.131836 E( 7 )= 4.6194 eV Re[Sigma]= 896.690973 meV Im[Sigma]= 1125.406253 meV Z= 1.003946 lam= -0.003931 E( 8 )= 4.6222 eV Re[Sigma]= 902.739357 meV Im[Sigma]= 1119.412292 meV Z= 1.000461 lam= -0.000460 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 3 )= -3.2611 eV Re[Sigma]= -690.596811 meV Im[Sigma]= 1678.670188 meV Z= 2.192415 lam= -0.543882 E( 4 )= -3.2359 eV Re[Sigma]= -672.194622 meV Im[Sigma]= 1681.902445 meV Z= 2.119303 lam= -0.528147 E( 5 )= 2.4481 eV Re[Sigma]= -27.175913 meV Im[Sigma]= 2454.418713 meV Z= 2.125600 lam= -0.529545 E( 6 )= 2.4799 eV Re[Sigma]= -12.376007 meV Im[Sigma]= 2494.345461 meV Z= 2.352499 lam= -0.574920 E( 7 )= 5.4114 eV Re[Sigma]= 751.157658 meV Im[Sigma]= 665.958563 meV Z= 1.053664 lam= -0.050931 E( 8 )= 5.4151 eV Re[Sigma]= 750.216833 meV Im[Sigma]= 666.568489 meV Z= 1.054051 lam= -0.051279 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 3 )= 1.1974 eV Re[Sigma]= -21.906741 meV Im[Sigma]= 1061.987600 meV Z= 1.043154 lam= -0.041369 E( 4 )= 1.2961 eV Re[Sigma]= -1.347628 meV Im[Sigma]= 1049.908490 meV Z= 1.018087 lam= -0.017765 E( 5 )= 4.0589 eV Re[Sigma]= 664.385371 meV Im[Sigma]= 1916.626583 meV Z= 2.154541 lam= -0.535864 E( 6 )= 4.1718 eV Re[Sigma]= 749.800872 meV Im[Sigma]= 1883.704104 meV Z= 2.028522 lam= -0.507030 E( 7 )= 6.8266 eV Re[Sigma]= 514.423899 meV Im[Sigma]= 189.358055 meV Z= 0.974137 lam= 0.026550 E( 8 )= 6.8354 eV Re[Sigma]= 512.062749 meV Im[Sigma]= 181.600068 meV Z= 0.971482 lam= 0.029356 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 3 )= 3.4112 eV Re[Sigma]= 396.659809 meV Im[Sigma]= 1152.647561 meV Z= 1.228489 lam= -0.185992 E( 4 )= 3.4124 eV Re[Sigma]= 397.068791 meV Im[Sigma]= 1152.967653 meV Z= 1.228924 lam= -0.186280 E( 5 )= 6.3637 eV Re[Sigma]= 568.337520 meV Im[Sigma]= 283.880416 meV Z= 0.969439 lam= 0.031525 E( 6 )= 6.3644 eV Re[Sigma]= 568.696214 meV Im[Sigma]= 283.785126 meV Z= 0.969321 lam= 0.031650 E( 7 )= 7.7485 eV Re[Sigma]= 440.736925 meV Im[Sigma]= 25.026749 meV Z= 0.933605 lam= 0.071116 E( 8 )= 7.7511 eV Re[Sigma]= 443.214075 meV Im[Sigma]= 24.595210 meV Z= 0.933045 lam= 0.071760 ------------------------------------------------------------------- 1 3 4.8113 602.7363 334.6191 0.9681 0.0330 2 3 3.4112 401.2208 1144.5794 1.2234 -0.1826 3 3 -1.9925 -594.4687 539.2656 0.9270 0.0787 4 3 -6.0648 -389.1748 3.7945 0.9298 0.0755 5 3 -1.9925 -595.7735 530.0986 0.9285 0.0770 6 3 3.4112 387.3496 1159.8779 1.2332 -0.1891 7 3 3.4116 392.5829 1136.6799 1.2161 -0.1777 8 3 3.4353 496.7192 1054.2086 1.1603 -0.1382 9 3 -0.0704 -411.3662 1045.0323 1.2454 -0.1971 10 3 -4.6734 -981.8544 597.2414 0.9811 0.0193 11 3 -3.2615 -692.3046 1674.0850 2.1905 -0.5435 12 3 1.1980 -23.8814 1058.8757 1.0447 -0.0428 13 3 -1.9925 -592.4102 533.2275 0.9292 0.0762 14 3 -0.0699 -423.5127 1055.0331 1.2471 -0.1981 15 3 -0.6549 -411.0918 511.7103 0.9301 0.0751 16 3 -3.3425 -760.1763 1042.5979 1.3679 -0.2690 17 3 -2.6397 -430.5665 1403.7818 0.9867 0.0135 18 3 -3.2614 -691.2318 1668.9253 2.1815 -0.5416 19 3 -6.0650 -389.0484 3.7923 0.9298 0.0755 20 3 -4.6742 -979.5705 596.4042 0.9814 0.0190 21 3 -3.3434 -758.7081 1052.6217 1.3756 -0.2730 22 3 -4.9280 -623.5955 235.8164 0.9835 0.0168 23 3 -3.3434 -761.1874 1045.9021 1.3711 -0.2707 24 3 -4.6742 -983.4195 601.0542 0.9820 0.0183 25 3 -1.9925 -589.8522 544.4503 0.9281 0.0774 26 3 -3.2614 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0.9816 0.0188 48 3 -0.0700 -421.9941 1052.9501 1.2471 -0.1981 49 3 -0.0699 -417.5257 1042.7038 1.2393 -0.1931 50 3 1.1993 -12.3278 1076.6108 1.0459 -0.0439 51 3 -0.0701 -417.6352 1054.9540 1.2492 -0.1995 52 3 -1.9716 -478.1542 650.7951 0.9489 0.0539 53 3 -3.6636 -986.1634 1469.0931 1.3529 -0.2609 54 3 -1.9716 -481.4126 648.0490 0.9470 0.0560 55 3 -4.6738 -978.7273 596.8601 0.9816 0.0187 56 3 -3.2615 -686.2399 1680.8969 2.1998 -0.5454 57 3 -1.9721 -472.8540 650.3398 0.9489 0.0538 58 3 -3.3435 -760.8085 1049.0721 1.3724 -0.2714 59 3 -3.5847 -1030.3237 1862.4257 2.7683 -0.6388 60 3 -3.6640 -983.9251 1469.5559 1.3538 -0.2613 61 3 -3.2612 -691.2410 1682.3676 2.1894 -0.5433 62 3 -4.6739 -981.6654 598.2229 0.9813 0.0191 63 3 -3.6642 -979.4758 1457.2738 1.3492 -0.2588 64 3 -3.5842 -1028.2961 1845.7539 2.7111 -0.6311 65 3 -3.3432 -761.0034 1052.9598 1.3754 -0.2729 66 3 -1.9716 -481.4904 647.7038 0.9471 0.0558 67 3 1.1979 -2.2413 1080.0102 1.0469 -0.0448 68 3 -0.0705 -422.9957 1063.5225 1.2459 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-0.0852 10 8 4.6226 919.5981 1138.2604 1.0024 -0.0024 11 8 5.4145 757.1920 682.3503 1.0600 -0.0566 12 8 6.8345 511.4983 182.4512 0.9727 0.0281 13 8 6.6655 752.9369 258.3664 0.9374 0.0668 14 8 5.5438 854.0808 780.1546 1.0989 -0.0900 15 8 3.3797 288.2886 1124.5860 1.2396 -0.1933 16 8 2.3329 -217.7962 1466.5218 1.2880 -0.2236 17 8 3.4484 801.5855 2105.8963 1.8203 -0.4506 18 8 5.4146 750.5937 665.9526 1.0517 -0.0491 19 8 6.0704 633.2322 353.3284 0.9439 0.0595 20 8 4.6232 920.9696 1145.4223 1.0062 -0.0061 21 8 2.3331 -228.1470 1448.1044 1.2683 -0.2116 22 8 1.6662 95.6615 537.6288 0.9546 0.0476 23 8 2.3331 -216.0366 1469.8016 1.2866 -0.2227 24 8 4.6232 925.2504 1126.9736 0.9970 0.0030 25 8 6.6655 770.0756 266.6471 0.9338 0.0709 26 8 5.4146 758.6905 677.1883 1.0592 -0.0559 27 8 3.4484 839.8087 2158.7689 1.9200 -0.4792 28 8 2.3329 -232.6715 1452.9527 1.2694 -0.2122 29 8 3.3797 293.7774 1134.6342 1.2449 -0.1967 30 8 5.5438 854.5102 773.0131 1.0924 -0.0846 31 8 7.7511 441.4724 24.3910 0.9331 0.0717 32 8 6.8345 521.7809 189.4365 0.9699 0.0311 33 8 5.4145 758.5794 663.3531 1.0526 -0.0500 34 8 4.6226 921.1667 1137.9432 1.0007 -0.0007 35 8 5.5436 862.6988 767.7049 1.0910 -0.0834 36 8 6.6661 591.4882 294.0119 1.0034 -0.0034 37 8 7.7513 441.3556 25.5165 0.9338 0.0709 38 8 6.6660 593.8625 302.8604 1.0054 -0.0054 39 8 5.5441 841.9793 785.7022 1.1038 -0.0941 40 8 4.6227 913.0045 1145.3596 1.0081 -0.0080 41 8 5.4143 756.7409 668.7586 1.0561 -0.0531 42 8 6.8341 514.1759 182.9083 0.9717 0.0291 43 8 6.6656 598.3775 304.1896 1.0071 -0.0071 44 8 7.7511 441.6482 24.3086 0.9332 0.0716 45 8 6.8354 515.5845 180.0554 0.9683 0.0327 46 8 5.4151 756.4426 658.4565 1.0538 -0.0510 47 8 4.6222 921.1303 1132.2441 1.0069 -0.0069 48 8 5.5435 855.2176 775.8124 1.0980 -0.0893 49 8 5.5433 846.6395 767.4403 1.0931 -0.0852 50 8 6.8349 513.8632 183.8361 0.9720 0.0288 51 8 5.5438 857.0341 776.0746 1.0947 -0.0865 52 8 4.0150 834.9680 1663.0959 1.4666 -0.3181 53 8 2.9436 41.0563 3001.2213 7.2019 -0.8611 54 8 4.0141 818.9606 1683.7172 1.4911 -0.3294 55 8 4.6227 906.3758 1118.6248 1.0028 -0.0028 56 8 5.4149 758.3918 659.3350 1.0509 -0.0484 57 8 4.0150 831.4239 1693.3693 1.4956 -0.3314 58 8 2.3326 -233.2182 1461.8516 1.2776 -0.2173 59 8 1.3921 -68.7619 1698.1385 1.0332 -0.0321 60 8 2.9438 37.6563 2986.4733 6.7298 -0.8514 61 8 5.4153 754.9859 667.4641 1.0578 -0.0546 62 8 4.6229 910.6152 1138.6610 1.0052 -0.0052 63 8 2.9432 39.8907 2985.2802 6.5164 -0.8465 64 8 1.3911 -69.2330 1690.3668 1.0306 -0.0297 65 8 2.3327 -232.4409 1457.3819 1.2727 -0.2143 66 8 4.0151 838.0598 1664.9844 1.4605 -0.3153 67 8 6.8356 519.2173 189.3313 0.9720 0.0288 68 8 5.5435 842.8181 786.4905 1.1029 -0.0933 69 8 4.0147 840.4344 1639.7674 1.4524 -0.3115 70 8 2.9425 36.7133 2979.5050 6.3630 -0.8428 71 8 4.0145 830.9964 1703.8559 1.5073 -0.3365 72 8 5.5437 862.8971 776.2932 1.0942 -0.0861 73 8 6.6655 754.7692 252.8893 0.9346 0.0700 74 8 5.5437 848.8947 790.8961 1.1046 -0.0947 75 8 3.3797 296.1478 1133.3540 1.2353 -0.1905 76 8 2.3331 -215.9442 1441.3183 1.2726 -0.2142 77 8 3.4484 806.5290 2103.4935 1.8322 -0.4542 78 8 5.4145 749.8681 659.1850 1.0543 -0.0515 79 8 5.5436 832.3454 768.9205 1.0996 -0.0906 80 8 6.8351 513.3251 185.5358 0.9722 0.0286 81 8 5.5434 849.4428 793.4550 1.1069 -0.0966 82 8 4.0151 839.6961 1652.2413 1.4633 -0.3166 83 8 2.9430 31.3863 2969.1763 6.2116 -0.8390 84 8 4.0140 822.4805 1670.9141 1.4807 -0.3246 85 8 3.3797 272.3591 1146.4940 1.2479 -0.1987 86 8 5.5437 833.3985 767.0162 1.0972 -0.0886 87 8 6.6655 758.0649 254.0788 0.9341 0.0705 88 8 5.4152 762.3642 660.5722 1.0528 -0.0501 89 8 3.4484 832.1152 2112.2460 1.8345 -0.4549 90 8 2.3323 -231.5863 1452.4605 1.2856 -0.2222 91 8 2.3326 -230.3375 1444.2526 1.2814 -0.2196 92 8 4.0146 828.0542 1660.0852 1.4716 -0.3205 93 8 5.4149 752.2437 660.2829 1.0547 -0.0518 94 8 4.6233 926.3394 1142.3732 1.0001 -0.0001 95 8 2.9445 25.1155 2998.8001 6.6323 -0.8492 96 8 1.3926 -51.8012 1675.4579 1.0311 -0.0301 97 8 3.4484 829.7963 2108.7029 1.8306 -0.4537 98 8 2.9439 36.7855 2956.9081 6.0376 -0.8344 99 8 3.4484 809.5368 2100.7923 1.8191 -0.4503 100 8 2.9443 40.6753 3015.3256 7.4725 -0.8662 101 8 3.4484 827.2250 2139.0316 1.8716 -0.4657 102 8 2.9441 24.3030 2981.5624 6.1734 -0.8380 103 8 5.4151 762.7067 668.9341 1.0568 -0.0538 104 8 4.0152 839.4519 1649.6871 1.4614 -0.3157 105 8 2.3325 -212.7298 1449.0078 1.2780 -0.2175 106 8 1.3905 -61.6285 1689.6550 1.0388 -0.0373 107 8 2.9435 35.2335 3005.0400 7.1804 -0.8607 108 8 4.6230 927.9356 1138.4792 0.9989 0.0011 109 8 6.0704 630.3617 357.0212 0.9444 0.0589 110 8 4.6233 902.4497 1131.1381 1.0030 -0.0030 111 8 2.3334 -218.3683 1440.0539 1.2769 -0.2169 112 8 1.6661 86.2532 541.0987 0.9545 0.0476 113 8 2.3334 -223.7133 1472.2784 1.3003 -0.2309 114 8 4.6233 917.9557 1113.5426 1.0012 -0.0012 115 8 4.6224 911.0341 1125.6228 1.0101 -0.0100 116 8 5.4150 755.3608 669.5274 1.0551 -0.0522 117 8 4.0152 830.0309 1669.2267 1.4753 -0.3222 118 8 2.3327 -218.6085 1436.3253 1.2716 -0.2136 119 8 1.3916 -66.2546 1697.0317 1.0366 -0.0353 120 8 2.9438 50.9516 3014.4131 7.6848 -0.8699 121 8 2.3324 -224.6735 1459.9431 1.2984 -0.2298 122 8 4.0146 819.0499 1647.7008 1.4724 -0.3208 123 8 5.4152 750.0697 663.5810 1.0525 -0.0498 124 8 4.6232 903.9345 1135.4929 1.0052 -0.0052 125 8 2.9445 39.0236 2957.7946 5.9641 -0.8323 126 8 1.3926 -67.3561 1700.9833 1.0389 -0.0375 127 8 1.6668 85.5860 541.1920 0.9547 0.0475 128 8 2.3325 -225.3869 1451.1347 1.2921 -0.2261 129 8 4.6230 912.5510 1121.2625 1.0074 -0.0074 130 8 6.0706 630.3189 356.1093 0.9444 0.0589 131 8 4.6230 904.8726 1151.5394 1.0062 -0.0062 132 8 2.3325 -225.4703 1438.1196 1.2684 -0.2116 133 8 2.3324 -229.5024 1435.9460 1.2657 -0.2099 134 8 1.3926 -64.2696 1689.3950 1.0354 -0.0342 135 8 2.9445 50.3325 3011.5233 7.5120 -0.8669 136 8 4.6232 919.8982 1119.1956 1.0054 -0.0054 137 8 5.4152 762.5781 667.2460 1.0514 -0.0489 138 8 4.0146 841.0371 1685.3389 1.4827 -0.3256 139 8 4.6224 901.9577 1164.2961 1.0111 -0.0110 140 8 2.9438 38.4713 2956.9361 5.9657 -0.8324 141 8 1.3916 -68.9004 1702.9773 1.0403 -0.0387 142 8 2.3327 -221.0470 1477.7411 1.3034 -0.2328 143 8 4.0152 826.5476 1655.3232 1.4689 -0.3192 144 8 5.4150 756.9535 664.6880 1.0503 -0.0479 145 8 6.6655 765.6959 262.7231 0.9339 0.0707 146 8 5.4145 753.9252 665.1317 1.0528 -0.0501 147 8 3.4484 829.3918 2099.3957 1.8228 -0.4514 148 8 2.3331 -233.7081 1462.3280 1.2953 -0.2280 149 8 3.3797 269.6677 1160.6650 1.2542 -0.2027 150 8 5.5437 841.0563 761.1256 1.0912 -0.0836 151 8 5.4151 750.2008 660.1906 1.0560 -0.0530 152 8 4.6230 918.2844 1137.1200 1.0037 -0.0037 153 8 2.9435 29.3493 2965.9937 6.1502 -0.8374 154 8 1.3905 -67.4779 1681.0573 1.0339 -0.0328 155 8 2.3325 -233.6765 1456.1097 1.2925 -0.2263 156 8 4.0151 824.3223 1669.5784 1.4857 -0.3269 157 8 3.4484 800.9021 2089.4880 1.8054 -0.4461 158 8 2.9441 54.6015 3000.0734 7.3870 -0.8646 159 8 3.4484 810.5764 2110.7185 1.8474 -0.4587 160 8 2.9443 29.9149 2959.5976 5.9285 -0.8313 161 8 3.4484 825.7490 2089.0673 1.8063 -0.4464 162 8 2.9439 57.1190 3006.7767 7.4712 -0.8662 163 8 2.3326 -214.0442 1455.2479 1.2871 -0.2231 164 8 1.3926 -70.3948 1691.6745 1.0407 -0.0391 165 8 2.9445 50.8359 2999.0798 7.3092 -0.8632 166 8 4.6233 916.5979 1134.7272 1.0018 -0.0018 167 8 5.4149 755.2362 666.5205 1.0531 -0.0505 168 8 4.0146 836.3746 1651.5536 1.4676 -0.3186 169 8 3.3797 291.3728 1144.5000 1.2390 -0.1929 170 8 2.3323 -215.5782 1454.3820 1.2869 -0.2229 171 8 3.4484 796.7285 2084.0703 1.8051 -0.4460 172 8 5.4152 748.1917 657.3924 1.0560 -0.0530 173 8 6.6655 766.6182 257.8762 0.9320 0.0729 174 8 5.5437 852.8126 790.0736 1.1003 -0.0911 175 8 5.5436 851.4157 799.6925 1.1062 -0.0960 176 8 4.0140 837.2084 1651.4820 1.4673 -0.3185 177 8 2.9430 49.3585 2999.0518 7.1483 -0.8601 178 8 4.0151 820.4810 1676.1353 1.4910 -0.3293 179 8 5.5434 841.9979 768.1373 1.0955 -0.0872 180 8 6.8351 516.3160 181.9779 0.9684 0.0326 181 8 7.7513 441.9830 24.3623 0.9331 0.0717 182 8 6.8341 514.1121 178.5423 0.9681 0.0330 183 8 5.4142 752.7739 646.3693 1.0503 -0.0479 184 8 4.6227 913.1766 1130.1573 1.0061 -0.0061 185 8 5.5441 847.7179 776.9385 1.0991 -0.0901 186 8 6.6660 599.7328 304.5327 1.0066 -0.0066 187 8 6.8356 515.5270 190.2885 0.9748 0.0258 188 8 5.5437 848.2387 778.0641 1.1003 -0.0911 189 8 4.0145 837.0713 1652.1602 1.4663 -0.3180 190 8 2.9425 41.7884 3014.6899 7.5982 -0.8684 191 8 4.0147 823.2662 1695.0146 1.5010 -0.3338 192 8 5.5435 843.2299 765.3043 1.0912 -0.0836 193 8 5.4153 751.3814 663.2768 1.0513 -0.0488 194 8 4.0151 833.1395 1684.7047 1.5000 -0.3333 195 8 2.3327 -217.3296 1455.0487 1.2785 -0.2178 196 8 1.3911 -65.2028 1701.7393 1.0339 -0.0328 197 8 2.9432 37.8200 3005.8420 7.2351 -0.8618 198 8 4.6229 904.5492 1122.6374 1.0034 -0.0034 199 8 4.6227 904.4687 1125.2593 1.0032 -0.0032 200 8 2.9438 29.6046 2966.5370 6.0976 -0.8360 201 8 1.3921 -63.2817 1696.9030 1.0322 -0.0312 202 8 2.3326 -218.1876 1455.2349 1.2776 -0.2173 203 8 4.0150 841.5805 1660.7117 1.4701 -0.3198 204 8 5.4149 752.1234 654.6703 1.0539 -0.0511 205 8 5.5433 839.5828 792.0276 1.1066 -0.0963 206 8 4.0141 836.5857 1649.1061 1.4638 -0.3168 207 8 2.9436 28.4656 2968.3795 6.0404 -0.8344 208 8 4.0150 834.0042 1693.0772 1.5101 -0.3378 209 8 5.5438 855.5750 769.0171 1.0935 -0.0855 210 8 6.8349 518.1024 186.1986 0.9711 0.0297 211 8 6.6656 595.1577 310.6368 1.0087 -0.0086 212 8 5.5435 837.0879 786.3040 1.1037 -0.0939 213 8 4.6222 902.7394 1119.4123 1.0005 -0.0005 214 8 5.4151 750.2168 666.5685 1.0541 -0.0513 215 8 6.8354 512.0627 181.6001 0.9715 0.0294 216 8 7.7511 443.2141 24.5952 0.9330 0.0718 =================================================================== Eliashberg Spectral Function in the Migdal Approximation =================================================================== lambda : 0.6709833 lambda_tr : 2.7532249 Estimated Allen-Dynes Tc logavg = 0.0002491 l_a2F = 0.6710700 mu = 0.10 Tc = 1.230302562906 K mu = 0.12 Tc = 1.021998819451 K mu = 0.14 Tc = 0.830305341079 K mu = 0.16 Tc = 0.656945735672 K mu = 0.18 Tc = 0.503475689243 K mu = 0.20 Tc = 0.371152583537 K a2F : 0.13s CPU 0.06s WALL ( 1 calls) Unfolding on the coarse grid elphon_wrap : 526.04s CPU 263.78s WALL ( 1 calls) INITIALIZATION: init_vloc : 0.18s CPU 0.09s WALL ( 29 calls) init_us_1 : 5.35s CPU 2.68s WALL ( 29 calls) Electron-Phonon interpolation ephwann : 16.32s CPU 8.20s WALL ( 1 calls) ep-interp : 15.64s CPU 7.86s WALL ( 216 calls) PH SELF-ENER : 0.71s CPU 0.35s 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 : 0.03s CPU 0.02s WALL ( 81 calls) ep: step 2 : 0.05s CPU 0.03s WALL ( 81 calls) DynW2B : 0.01s CPU 0.00s WALL ( 216 calls) HamW2B : 7.55s CPU 3.76s WALL ( 93744 calls) ephW2Bp : 0.29s CPU 0.14s WALL ( 216 calls) Total program execution EPW : 9m40.90s CPU 4m51.32s WALL