``:oss/ `.+s+. .+ys--yh+ `./ss+. -sh//yy+` +yy +yy -+h+-oyy -yh- .oyy/.-sh. .syo-.:sy- /yh `.-.` `yh+ -oyyyo. `/syys: oys `.` `/+ssys+-` `sh+ ` oys` .:osyo` -yh- ./syyooyo` .sys+/oyo--yh/ `yy+ .-:-. `-/+/:` -sh- /yh. oys ``..---hho---------` .---------..` `.-----.` -hd+---. `./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:` +sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy` -yy/ /MMM+.`-+/``mMMy- `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs -yy+` /MMMo:-mMM+`-oo/. mMMh: `dMMN/` dMMm:`dMMMMy..MMMo-.+yo` .sys`/MMMMNNMMMs- mMMmyooooymMMNo: oMMM/sMMMMMM++MMN//oh: `sh+/MMMhyyMMMs- `-` mMMMMMMMMMNmy+-` -MMMhMMMsmMMmdMMd/yy+ `-/+++oyy-/MMM+.`/hh/.`mNm:` mMMd+/////:-.` NMMMMMd/:NMMMMMy:/yyo/:.` +os+//:-..-oMMMo:--:::-/MMMo. .-mMMd+---` hMMMMN+. oMMMMMo. `-+osyso:` syo `mNMMMMMNNNNNNNNMMMo.oNNMMMMMNNNN:` +MMMMs:` dMMMN/` ``:syo /yh` :syyyyyyyyyyyyyyyy+.`+syyyyyyyyo:` .oyys:` .oyys:` +yh -yh- ```````````````` ````````` `` `` oys -+h/------------------------::::::::://////++++++++++++++++++++++///////::::/yd: shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh` S. Ponce, E. R. Margine, C. Verdi, and F. Giustino, Comput. Phys. Commun. 209, 116 (2016) Program EPW v.4.1.0 starts on 5Feb2017 at 20:48: 3 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 Serial multi-threaded version, running on 1 processor cores 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: ./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 : 0.45s CPU 0.54s WALL EPW : 1.10s CPU 1.20s 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 ( 0.00000 0.00000 0.00000) : l = -3 mr = 3 ( 0.00000 0.00000 0.00000) : l = -3 mr = 3 ( 0.00000 0.00000 0.00000) : l = -3 mr = 4 ( 0.00000 0.00000 0.00000) : l = -3 mr = 4 - Number of bands is ( 22) - Number of wannier functions is ( 8) - All guiding functions are given Reading data about k-point neighbours - All neighbours are found AMN 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 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 0.08272) : 1.60664 ( 0.08272 0.08272 0.08272) : 1.60664 ( 0.08272 -0.08272 -0.08272) : 1.60664 ( 0.08272 -0.08272 -0.08272) : 1.60664 ( -0.08272 0.08272 -0.08272) : 1.60664 ( -0.08272 0.08272 -0.08272) : 1.60664 ( -0.08272 -0.08272 0.08272) : 1.60664 ( -0.08272 -0.08272 0.08272) : 1.60664 ------------------------------------------------------------------- WANNIER : 35.27s CPU 35.49s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## kmaps : 3.16s CPU 3.36s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 48 =================================================================== irreducible q point # 1 =================================================================== Symmetries of small group of q: 48 in addition sym. q -> -q+G: Number of q in the star = 1 List of q in the star: 1 0.000000000 0.000000000 0.000000000 Imposing acoustic sum rule on the dynamical matrix q( 1 ) = ( 0.0000000 0.0000000 0.0000000 ) =================================================================== irreducible q point # 2 =================================================================== Symmetries of small group of q: 6 Number of q in the star = 8 List of q in the star: 1 -0.333333333 0.333333333 -0.333333333 2 0.333333333 0.333333333 -0.333333333 3 0.333333333 0.333333333 0.333333333 4 -0.333333333 0.333333333 0.333333333 5 0.333333333 -0.333333333 0.333333333 6 -0.333333333 -0.333333333 -0.333333333 7 0.333333333 -0.333333333 -0.333333333 8 -0.333333333 -0.333333333 0.333333333 q( 2 ) = ( -0.3333333 0.3333333 -0.3333333 ) q( 3 ) = ( 0.3333333 0.3333333 -0.3333333 ) q( 4 ) = ( 0.3333333 0.3333333 0.3333333 ) q( 5 ) = ( -0.3333333 0.3333333 0.3333333 ) q( 6 ) = ( 0.3333333 -0.3333333 0.3333333 ) q( 7 ) = ( -0.3333333 -0.3333333 -0.3333333 ) q( 8 ) = ( 0.3333333 -0.3333333 -0.3333333 ) q( 9 ) = ( -0.3333333 -0.3333333 0.3333333 ) =================================================================== irreducible q point # 3 =================================================================== Symmetries of small group of q: 8 Number of q in the star = 6 List of q in the star: 1 0.000000000 0.666666667 0.000000000 2 -0.666666667 0.000000000 0.000000000 3 0.000000000 -0.666666667 0.000000000 4 0.000000000 0.000000000 0.666666667 5 0.000000000 0.000000000 -0.666666667 6 0.666666667 0.000000000 0.000000000 q( 10 ) = ( 0.0000000 0.6666667 0.0000000 ) q( 11 ) = ( -0.6666667 0.0000000 0.0000000 ) q( 12 ) = ( 0.0000000 -0.6666667 0.0000000 ) q( 13 ) = ( 0.0000000 0.0000000 0.6666667 ) q( 14 ) = ( 0.0000000 0.0000000 -0.6666667 ) q( 15 ) = ( 0.6666667 0.0000000 0.0000000 ) =================================================================== irreducible q point # 4 =================================================================== Symmetries of small group of q: 4 Number of q in the star = 12 List of q in the star: 1 0.666666667 0.000000000 0.666666667 2 0.666666667 0.000000000 -0.666666667 3 -0.666666667 0.000000000 -0.666666667 4 -0.666666667 0.000000000 0.666666667 5 0.000000000 -0.666666667 0.666666667 6 -0.666666667 0.666666667 0.000000000 7 -0.666666667 -0.666666667 0.000000000 8 0.666666667 0.666666667 0.000000000 9 0.666666667 -0.666666667 0.000000000 10 0.000000000 0.666666667 0.666666667 11 0.000000000 0.666666667 -0.666666667 12 0.000000000 -0.666666667 -0.666666667 q( 16 ) = ( 0.6666667 0.0000000 0.6666667 ) q( 17 ) = ( 0.6666667 0.0000000 -0.6666667 ) q( 18 ) = ( -0.6666667 0.0000000 -0.6666667 ) q( 19 ) = ( -0.6666667 0.0000000 0.6666667 ) q( 20 ) = ( 0.0000000 -0.6666667 0.6666667 ) q( 21 ) = ( -0.6666667 0.6666667 0.0000000 ) q( 22 ) = ( -0.6666667 -0.6666667 0.0000000 ) q( 23 ) = ( 0.6666667 0.6666667 0.0000000 ) q( 24 ) = ( 0.6666667 -0.6666667 0.0000000 ) q( 25 ) = ( 0.0000000 0.6666667 0.6666667 ) q( 26 ) = ( 0.0000000 0.6666667 -0.6666667 ) q( 27 ) = ( 0.0000000 -0.6666667 -0.6666667 ) Writing epmatq on .epb files The .epb files have been correctly written 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 = 11.622357 eV Warning: check if difference with Fermi level fine grid makes sense =================================================================== ibndmin = 1 ebndmin = -0.040 ibndmax = 8 ebndmax = 1.463 Number of ep-matrix elements per pool : 41472 ~= 324.00 Kb (@ 8 bytes/ DP) =================================================================== Phonon (Imaginary) Self-Energy in the Migdal Approximation =================================================================== Fermi Surface thickness = 20.000000 eV Golden Rule strictly enforced with T = 0.043087 eV Gaussian Broadening: 0.200000 eV, ngauss= 1 DOS = 0.904603 states/spin/eV/Unit Cell at Ef= 11.622357 eV ismear = 1 iq = 1 coord.: 0.00000 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 0.0000 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.0000 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 0.0000 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.0000 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.0000 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.0000 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 =================================================================== Electron (Imaginary) Self-Energy in the Migdal Approximation =================================================================== Fermi Surface thickness = 20.000000 eV Golden Rule strictly enforced with T = 0.043087 eV Gaussian Broadening: 0.200000 eV, ngauss= 1 DOS = 0.904603 states/spin/eV/Unit Cell at Ef= 11.622357 eV ismear = 1 iq = 2 coord.: 0.00000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.2052 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2052 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4924 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.4924 meV lambda( tot )= 0.000000 lambda_tr( 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 )= 0.320337 gamma= 0.005258 meV omega= 2.4032 meV lambda_tr( 1 )= -19.673095 gamma_tr= -0.322884 meV omega= 2.4032 meV lambda( 2 )= 0.321575 gamma= 0.005278 meV omega= 2.4032 meV lambda_tr( 2 )= -19.710065 gamma_tr= -0.323491 meV omega= 2.4032 meV lambda( 3 )= 0.570987 gamma= 0.017935 meV omega= 3.3246 meV lambda_tr( 3 )= -25.300264 gamma_tr= -0.794697 meV omega= 3.3246 meV lambda( tot )= 1.212899 lambda_tr( tot )= -64.683424 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= 3.8020 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8020 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.8020 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8020 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 4.6498 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 4.6498 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- 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 )= 0.320714 gamma= 0.005264 meV omega= 2.4032 meV lambda_tr( 1 )= -18.545840 gamma_tr= -0.304383 meV omega= 2.4032 meV lambda( 2 )= 0.309981 gamma= 0.005088 meV omega= 2.4032 meV lambda_tr( 2 )= -17.743751 gamma_tr= -0.291219 meV omega= 2.4032 meV lambda( 3 )= 0.574740 gamma= 0.018053 meV omega= 3.3246 meV lambda_tr( 3 )= -23.995426 gamma_tr= -0.753712 meV omega= 3.3246 meV lambda( tot )= 1.205436 lambda_tr( tot )= -60.285017 ------------------------------------------------------------------- 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= -1.2052 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2052 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4924 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.4924 meV lambda( tot )= 0.000000 lambda_tr( 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= -1.2052 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2052 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4924 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.4924 meV lambda( tot )= 0.000000 lambda_tr( 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= -3.2687 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2687 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda( 3 )= 0.234341 gamma= 0.010517 meV omega= 3.9739 meV lambda_tr( 3 )= 0.079046 gamma_tr= 0.003547 meV omega= 3.9739 meV lambda( tot )= 0.234341 lambda_tr( tot )= 0.079046 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009449 gamma= 0.000785 meV omega= 5.4074 meV lambda_tr( 3 )= -0.042290 gamma_tr= -0.003514 meV omega= 5.4074 meV lambda( tot )= 0.009449 lambda_tr( tot )= -0.042290 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 10 coord.: 0.00000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.489353 gamma= 0.010640 meV omega= 2.7660 meV lambda_tr( 1 )= 0.283246 gamma_tr= 0.006159 meV omega= 2.7660 meV lambda( 2 )= -0.132814 gamma= -0.004196 meV omega= 3.3343 meV lambda_tr( 2 )= -0.786347 gamma_tr= -0.024845 meV omega= 3.3343 meV lambda( 3 )= 0.494828 gamma= 0.046354 meV omega= 5.7413 meV lambda_tr( 3 )= -0.705453 gamma_tr= -0.066085 meV omega= 5.7413 meV lambda( tot )= 0.851367 lambda_tr( tot )= -1.208554 ------------------------------------------------------------------- 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 )= 0.065265 gamma= 0.002249 meV omega= 3.4821 meV lambda_tr( 1 )= -0.157257 gamma_tr= -0.005419 meV omega= 3.4821 meV lambda( 2 )= 0.067942 gamma= 0.002591 meV omega= 3.6633 meV lambda_tr( 2 )= 0.307554 gamma_tr= 0.011729 meV omega= 3.6633 meV lambda( 3 )= 0.036663 gamma= 0.001970 meV omega= 4.3479 meV lambda_tr( 3 )= -0.119547 gamma_tr= -0.006423 meV omega= 4.3479 meV lambda( tot )= 0.169870 lambda_tr( tot )= 0.030750 ------------------------------------------------------------------- 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= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV lambda( 2 )= -1.824624 gamma= -0.028693 meV omega= 2.3523 meV lambda_tr( 2 )= -3.524163 gamma_tr= -0.055420 meV omega= 2.3523 meV lambda( 3 )= 0.001811 gamma= 0.000047 meV omega= 3.0193 meV lambda_tr( 3 )= -0.465430 gamma_tr= -0.012058 meV omega= 3.0193 meV lambda( tot )= -1.822814 lambda_tr( tot )= -3.989593 ------------------------------------------------------------------- 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 )= 0.303222 gamma= 0.004977 meV omega= 2.4032 meV lambda_tr( 1 )= -17.547555 gamma_tr= -0.287999 meV omega= 2.4032 meV lambda( 2 )= 0.308851 gamma= 0.005069 meV omega= 2.4032 meV lambda_tr( 2 )= -17.600079 gamma_tr= -0.288861 meV omega= 2.4032 meV lambda( 3 )= 0.596463 gamma= 0.018735 meV omega= 3.3246 meV lambda_tr( 3 )= -24.160377 gamma_tr= -0.758893 meV omega= 3.3246 meV lambda( tot )= 1.208536 lambda_tr( tot )= -59.308011 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.010064 gamma= 0.000836 meV omega= 5.4074 meV lambda_tr( 3 )= -0.037741 gamma_tr= -0.003136 meV omega= 5.4074 meV lambda( tot )= 0.010064 lambda_tr( tot )= -0.037741 ------------------------------------------------------------------- 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= -4.5024 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.5024 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda( 3 )= 0.024488 gamma= 0.003649 meV omega= 7.2413 meV lambda_tr( 3 )= 0.019250 gamma_tr= 0.002869 meV omega= 7.2413 meV lambda( tot )= 0.024488 lambda_tr( tot )= 0.019250 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.013901 gamma= 0.002405 meV omega= 7.8031 meV lambda_tr( 3 )= -0.000797 gamma_tr= -0.000138 meV omega= 7.8031 meV lambda( tot )= 0.013901 lambda_tr( tot )= -0.000797 ------------------------------------------------------------------- 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 )= 0.249024 gamma= 0.006571 meV omega= 3.0471 meV lambda_tr( 1 )= 12.191918 gamma_tr= 0.321709 meV omega= 3.0471 meV lambda( 2 )= 0.442268 gamma= 0.016820 meV omega= 3.6582 meV lambda_tr( 2 )= 1.870330 gamma_tr= 0.071130 meV omega= 3.6582 meV lambda( 3 )= 0.153558 gamma= 0.018610 meV omega= 6.5304 meV lambda_tr( 3 )= 2.502467 gamma_tr= 0.303286 meV omega= 6.5304 meV lambda( tot )= 0.844850 lambda_tr( tot )= 16.564716 ------------------------------------------------------------------- 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 )= 0.064637 gamma= 0.002227 meV omega= 3.4821 meV lambda_tr( 1 )= -0.133553 gamma_tr= -0.004602 meV omega= 3.4821 meV lambda( 2 )= 0.071083 gamma= 0.002711 meV omega= 3.6633 meV lambda_tr( 2 )= 0.319225 gamma_tr= 0.012174 meV omega= 3.6633 meV lambda( 3 )= 0.036153 gamma= 0.001942 meV omega= 4.3479 meV lambda_tr( 3 )= -0.124086 gamma_tr= -0.006666 meV omega= 4.3479 meV lambda( tot )= 0.171873 lambda_tr( tot )= 0.061587 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= 3.8020 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8020 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.8020 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8020 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 4.6498 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 4.6498 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 20 coord.: 0.00000 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.180231 gamma= -0.003919 meV omega= 2.7660 meV lambda_tr( 1 )= -0.396548 gamma_tr= -0.008622 meV omega= 2.7660 meV lambda( 2 )= -0.124121 gamma= -0.003922 meV omega= 3.3343 meV lambda_tr( 2 )= -0.787089 gamma_tr= -0.024868 meV omega= 3.3343 meV lambda( 3 )= 0.237135 gamma= 0.022214 meV omega= 5.7413 meV lambda_tr( 3 )= -0.858428 gamma_tr= -0.080415 meV omega= 5.7413 meV lambda( tot )= -0.067218 lambda_tr( tot )= -2.042065 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012916 gamma= 0.002235 meV omega= 7.8031 meV lambda_tr( 3 )= -0.000981 gamma_tr= -0.000170 meV omega= 7.8031 meV lambda( tot )= 0.012916 lambda_tr( tot )= -0.000981 ------------------------------------------------------------------- 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_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.3788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.3788 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.3788 meV lambda( 3 )= 0.622358 gamma= 0.129623 meV omega= 8.5608 meV lambda_tr( 3 )= 3.671534 gamma_tr= 0.764696 meV omega= 8.5608 meV lambda( tot )= 0.622358 lambda_tr( tot )= 3.671534 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.013033 gamma= 0.002255 meV omega= 7.8031 meV lambda_tr( 3 )= 0.000236 gamma_tr= 0.000041 meV omega= 7.8031 meV lambda( tot )= 0.013033 lambda_tr( tot )= 0.000236 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 24 coord.: 0.00000 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.136847 gamma= 0.002975 meV omega= 2.7660 meV lambda_tr( 1 )= 0.260671 gamma_tr= 0.005668 meV omega= 2.7660 meV lambda( 2 )= -0.192477 gamma= -0.006081 meV omega= 3.3343 meV lambda_tr( 2 )= -0.853227 gamma_tr= -0.026958 meV omega= 3.3343 meV lambda( 3 )= 0.428514 gamma= 0.040142 meV omega= 5.7413 meV lambda_tr( 3 )= -0.706570 gamma_tr= -0.066189 meV omega= 5.7413 meV lambda( tot )= 0.372885 lambda_tr( tot )= -1.299126 ------------------------------------------------------------------- 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 )= 0.309521 gamma= 0.005080 meV omega= 2.4032 meV lambda_tr( 1 )= -17.619729 gamma_tr= -0.289183 meV omega= 2.4032 meV lambda( 2 )= 0.302558 gamma= 0.004966 meV omega= 2.4032 meV lambda_tr( 2 )= -17.528301 gamma_tr= -0.287683 meV omega= 2.4032 meV lambda( 3 )= 0.596730 gamma= 0.018744 meV omega= 3.3246 meV lambda_tr( 3 )= -24.160480 gamma_tr= -0.758896 meV omega= 3.3246 meV lambda( tot )= 1.208809 lambda_tr( tot )= -59.308509 ------------------------------------------------------------------- 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 )= 0.054101 gamma= 0.001864 meV omega= 3.4821 meV lambda_tr( 1 )= -0.144468 gamma_tr= -0.004978 meV omega= 3.4821 meV lambda( 2 )= 0.060662 gamma= 0.002313 meV omega= 3.6633 meV lambda_tr( 2 )= 0.283575 gamma_tr= 0.010815 meV omega= 3.6633 meV lambda( 3 )= 0.032602 gamma= 0.001752 meV omega= 4.3479 meV lambda_tr( 3 )= -0.129843 gamma_tr= -0.006976 meV omega= 4.3479 meV lambda( tot )= 0.147364 lambda_tr( tot )= 0.009265 ------------------------------------------------------------------- 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 )= 0.172204 gamma= 0.004544 meV omega= 3.0471 meV lambda_tr( 1 )= 8.447711 gamma_tr= 0.222910 meV omega= 3.0471 meV lambda( 2 )= 0.365344 gamma= 0.013894 meV omega= 3.6582 meV lambda_tr( 2 )= 1.446730 gamma_tr= 0.055020 meV omega= 3.6582 meV lambda( 3 )= 0.128585 gamma= 0.015584 meV omega= 6.5304 meV lambda_tr( 3 )= 2.148641 gamma_tr= 0.260404 meV omega= 6.5304 meV lambda( tot )= 0.666133 lambda_tr( tot )= 12.043082 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012240 gamma= 0.002118 meV omega= 7.8031 meV lambda_tr( 3 )= -0.000878 gamma_tr= -0.000152 meV omega= 7.8031 meV lambda( tot )= 0.012240 lambda_tr( tot )= -0.000878 ------------------------------------------------------------------- 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= -4.5024 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.5024 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda( 3 )= 0.022945 gamma= 0.003419 meV omega= 7.2413 meV lambda_tr( 3 )= 0.018256 gamma_tr= 0.002720 meV omega= 7.2413 meV lambda( tot )= 0.022945 lambda_tr( tot )= 0.018256 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009035 gamma= 0.000751 meV omega= 5.4074 meV lambda_tr( 3 )= -0.033155 gamma_tr= -0.002755 meV omega= 5.4074 meV lambda( tot )= 0.009035 lambda_tr( tot )= -0.033155 ------------------------------------------------------------------- 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= -1.2052 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2052 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4924 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.4924 meV lambda( tot )= 0.000000 lambda_tr( 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= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV lambda( 2 )= -1.564792 gamma= -0.024607 meV omega= 2.3523 meV lambda_tr( 2 )= -3.349925 gamma_tr= -0.052680 meV omega= 2.3523 meV lambda( 3 )= 0.237333 gamma= 0.006149 meV omega= 3.0193 meV lambda_tr( 3 )= -0.205774 gamma_tr= -0.005331 meV omega= 3.0193 meV lambda( tot )= -1.327460 lambda_tr( tot )= -3.555699 ------------------------------------------------------------------- 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 )= 0.058953 gamma= 0.002031 meV omega= 3.4821 meV lambda_tr( 1 )= -0.142540 gamma_tr= -0.004912 meV omega= 3.4821 meV lambda( 2 )= 0.056515 gamma= 0.002155 meV omega= 3.6633 meV lambda_tr( 2 )= 0.287363 gamma_tr= 0.010959 meV omega= 3.6633 meV lambda( 3 )= 0.036950 gamma= 0.001985 meV omega= 4.3479 meV lambda_tr( 3 )= -0.123594 gamma_tr= -0.006640 meV omega= 4.3479 meV lambda( tot )= 0.152418 lambda_tr( tot )= 0.021229 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 34 coord.: 0.00000 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.231741 gamma= 0.005039 meV omega= 2.7660 meV lambda_tr( 1 )= 0.213098 gamma_tr= 0.004633 meV omega= 2.7660 meV lambda( 2 )= -0.266301 gamma= -0.008414 meV omega= 3.3343 meV lambda_tr( 2 )= -0.879874 gamma_tr= -0.027800 meV omega= 3.3343 meV lambda( 3 )= 0.148203 gamma= 0.013883 meV omega= 5.7413 meV lambda_tr( 3 )= -0.918052 gamma_tr= -0.086001 meV omega= 5.7413 meV lambda( tot )= 0.113643 lambda_tr( tot )= -1.584827 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009622 gamma= 0.000800 meV omega= 5.4074 meV lambda_tr( 3 )= -0.031515 gamma_tr= -0.002619 meV omega= 5.4074 meV lambda( tot )= 0.009622 lambda_tr( tot )= -0.031515 ------------------------------------------------------------------- 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= -3.2687 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2687 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda( 3 )= 0.232031 gamma= 0.010413 meV omega= 3.9739 meV lambda_tr( 3 )= 0.089886 gamma_tr= 0.004034 meV omega= 3.9739 meV lambda( tot )= 0.232031 lambda_tr( tot )= 0.089886 ------------------------------------------------------------------- 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= -1.2052 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2052 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4924 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.4924 meV lambda( tot )= 0.000000 lambda_tr( 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= -3.2687 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2687 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda( 3 )= 0.226640 gamma= 0.010171 meV omega= 3.9739 meV lambda_tr( 3 )= 0.077386 gamma_tr= 0.003473 meV omega= 3.9739 meV lambda( tot )= 0.226640 lambda_tr( tot )= 0.077386 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009534 gamma= 0.000792 meV omega= 5.4074 meV lambda_tr( 3 )= -0.038272 gamma_tr= -0.003180 meV omega= 5.4074 meV lambda( tot )= 0.009534 lambda_tr( tot )= -0.038272 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 40 coord.: 0.16667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.925473 gamma= -0.020123 meV omega= 2.7660 meV lambda_tr( 1 )= -0.443510 gamma_tr= -0.009643 meV omega= 2.7660 meV lambda( 2 )= -0.474835 gamma= -0.015003 meV omega= 3.3343 meV lambda_tr( 2 )= -1.118575 gamma_tr= -0.035342 meV omega= 3.3343 meV lambda( 3 )= 0.240075 gamma= 0.022490 meV omega= 5.7413 meV lambda_tr( 3 )= -0.863494 gamma_tr= -0.080890 meV omega= 5.7413 meV lambda( tot )= -1.160233 lambda_tr( tot )= -2.425578 ------------------------------------------------------------------- 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 )= 0.058260 gamma= 0.002008 meV omega= 3.4821 meV lambda_tr( 1 )= -0.149465 gamma_tr= -0.005150 meV omega= 3.4821 meV lambda( 2 )= 0.063967 gamma= 0.002440 meV omega= 3.6633 meV lambda_tr( 2 )= 0.291071 gamma_tr= 0.011101 meV omega= 3.6633 meV lambda( 3 )= 0.039742 gamma= 0.002135 meV omega= 4.3479 meV lambda_tr( 3 )= -0.125196 gamma_tr= -0.006726 meV omega= 4.3479 meV lambda( tot )= 0.161969 lambda_tr( tot )= 0.016410 ------------------------------------------------------------------- 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= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV lambda( 2 )= -2.996593 gamma= -0.047123 meV omega= 2.3523 meV lambda_tr( 2 )= -4.667092 gamma_tr= -0.073393 meV omega= 2.3523 meV lambda( 3 )= -0.054651 gamma= -0.001416 meV omega= 3.0193 meV lambda_tr( 3 )= -0.496528 gamma_tr= -0.012864 meV omega= 3.0193 meV lambda( tot )= -3.051244 lambda_tr( tot )= -5.163620 ------------------------------------------------------------------- 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= -3.2687 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2687 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda( 3 )= 0.230600 gamma= 0.010349 meV omega= 3.9739 meV lambda_tr( 3 )= 0.084772 gamma_tr= 0.003804 meV omega= 3.9739 meV lambda( tot )= 0.230600 lambda_tr( tot )= 0.084772 ------------------------------------------------------------------- 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= -1.2052 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2052 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4924 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.4924 meV lambda( tot )= 0.000000 lambda_tr( 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= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV lambda( 2 )= -0.584705 gamma= -0.009195 meV omega= 2.3523 meV lambda_tr( 2 )= -2.507719 gamma_tr= -0.039435 meV omega= 2.3523 meV lambda( 3 )= 0.850029 gamma= 0.022022 meV omega= 3.0193 meV lambda_tr( 3 )= 0.405033 gamma_tr= 0.010493 meV omega= 3.0193 meV lambda( tot )= 0.265324 lambda_tr( tot )= -2.102686 ------------------------------------------------------------------- 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 )= 0.058184 gamma= 0.002005 meV omega= 3.4821 meV lambda_tr( 1 )= -0.158827 gamma_tr= -0.005473 meV omega= 3.4821 meV lambda( 2 )= 0.055298 gamma= 0.002109 meV omega= 3.6633 meV lambda_tr( 2 )= 0.302270 gamma_tr= 0.011528 meV omega= 3.6633 meV lambda( 3 )= 0.037823 gamma= 0.002032 meV omega= 4.3479 meV lambda_tr( 3 )= -0.120336 gamma_tr= -0.006465 meV omega= 4.3479 meV lambda( tot )= 0.151305 lambda_tr( tot )= 0.023106 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 47 coord.: 0.16667 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.686368 gamma= 0.014924 meV omega= 2.7660 meV lambda_tr( 1 )= 0.114615 gamma_tr= 0.002492 meV omega= 2.7660 meV lambda( 2 )= 0.019762 gamma= 0.000624 meV omega= 3.3343 meV lambda_tr( 2 )= -0.613882 gamma_tr= -0.019396 meV omega= 3.3343 meV lambda( 3 )= 0.255213 gamma= 0.023908 meV omega= 5.7413 meV lambda_tr( 3 )= -0.870022 gamma_tr= -0.081501 meV omega= 5.7413 meV lambda( tot )= 0.961343 lambda_tr( tot )= -1.369289 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.010180 gamma= 0.000846 meV omega= 5.4074 meV lambda_tr( 3 )= -0.035155 gamma_tr= -0.002921 meV omega= 5.4074 meV lambda( tot )= 0.010180 lambda_tr( tot )= -0.035155 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009767 gamma= 0.000812 meV omega= 5.4074 meV lambda_tr( 3 )= -0.034350 gamma_tr= -0.002854 meV omega= 5.4074 meV lambda( tot )= 0.009767 lambda_tr( tot )= -0.034350 ------------------------------------------------------------------- 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= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV lambda( 2 )= -2.130262 gamma= -0.033500 meV omega= 2.3523 meV lambda_tr( 2 )= -3.876820 gamma_tr= -0.060965 meV omega= 2.3523 meV lambda( 3 )= 0.256653 gamma= 0.006649 meV omega= 3.0193 meV lambda_tr( 3 )= -0.192733 gamma_tr= -0.004993 meV omega= 3.0193 meV lambda( tot )= -1.873609 lambda_tr( tot )= -4.069552 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009732 gamma= 0.000809 meV omega= 5.4074 meV lambda_tr( 3 )= -0.040623 gamma_tr= -0.003376 meV omega= 5.4074 meV lambda( tot )= 0.009732 lambda_tr( tot )= -0.040623 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 8.038800 gamma= 0.081594 meV omega= 1.8899 meV lambda_tr( 2 )= -26.305745 gamma_tr= -0.267005 meV omega= 1.8899 meV lambda( 3 )= 0.146991 gamma= 0.017413 meV omega= 6.4564 meV lambda_tr( 3 )= 0.902360 gamma_tr= 0.106898 meV omega= 6.4564 meV lambda( tot )= 8.185791 lambda_tr( tot )= -25.403385 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 53 coord.: 0.16667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.167572 gamma= -0.000375 meV omega= 0.8871 meV lambda_tr( 1 )= 1.987045 gamma_tr= 0.004444 meV omega= 0.8871 meV lambda( 2 )= 0.007553 gamma= 0.000679 meV omega= 5.6224 meV lambda_tr( 2 )= -0.002124 gamma_tr= -0.000191 meV omega= 5.6224 meV lambda( 3 )= 0.033043 gamma= 0.003091 meV omega= 5.7371 meV lambda_tr( 3 )= 0.183129 gamma_tr= 0.017130 meV omega= 5.7371 meV lambda( tot )= -0.126975 lambda_tr( tot )= 2.168049 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 6.477236 gamma= 0.065744 meV omega= 1.8899 meV lambda_tr( 2 )= -28.505644 gamma_tr= -0.289334 meV omega= 1.8899 meV lambda( 3 )= 0.216542 gamma= 0.025653 meV omega= 6.4564 meV lambda_tr( 3 )= 0.889969 gamma_tr= 0.105430 meV omega= 6.4564 meV lambda( tot )= 6.693778 lambda_tr( tot )= -27.615674 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 55 coord.: 0.16667 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.709482 gamma= 0.015426 meV omega= 2.7660 meV lambda_tr( 1 )= 0.514010 gamma_tr= 0.011176 meV omega= 2.7660 meV lambda( 2 )= -0.098320 gamma= -0.003106 meV omega= 3.3343 meV lambda_tr( 2 )= -0.719852 gamma_tr= -0.022744 meV omega= 3.3343 meV lambda( 3 )= 0.211618 gamma= 0.019824 meV omega= 5.7413 meV lambda_tr( 3 )= -0.902081 gamma_tr= -0.084504 meV omega= 5.7413 meV lambda( tot )= 0.822780 lambda_tr( tot )= -1.107924 ------------------------------------------------------------------- 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 )= 0.061543 gamma= 0.002121 meV omega= 3.4821 meV lambda_tr( 1 )= -0.134405 gamma_tr= -0.004631 meV omega= 3.4821 meV lambda( 2 )= 0.062259 gamma= 0.002374 meV omega= 3.6633 meV lambda_tr( 2 )= 0.294100 gamma_tr= 0.011216 meV omega= 3.6633 meV lambda( 3 )= 0.037115 gamma= 0.001994 meV omega= 4.3479 meV lambda_tr( 3 )= -0.132023 gamma_tr= -0.007093 meV omega= 4.3479 meV lambda( tot )= 0.160916 lambda_tr( tot )= 0.027672 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 4.597300 gamma= 0.046663 meV omega= 1.8899 meV lambda_tr( 2 )= -31.178183 gamma_tr= -0.316460 meV omega= 1.8899 meV lambda( 3 )= 0.153632 gamma= 0.018200 meV omega= 6.4564 meV lambda_tr( 3 )= 0.827467 gamma_tr= 0.098026 meV omega= 6.4564 meV lambda( tot )= 4.750932 lambda_tr( tot )= -30.350716 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.013424 gamma= 0.002323 meV omega= 7.8031 meV lambda_tr( 3 )= -0.000930 gamma_tr= -0.000161 meV omega= 7.8031 meV lambda( tot )= 0.013424 lambda_tr( tot )= -0.000930 ------------------------------------------------------------------- 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= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda( 2 )= 0.508575 gamma= 0.016833 meV omega= 3.4127 meV lambda_tr( 2 )= 0.488240 gamma_tr= 0.016160 meV omega= 3.4127 meV lambda( 3 )= 0.112608 gamma= 0.018522 meV omega= 7.6077 meV lambda_tr( 3 )= 0.122119 gamma_tr= 0.020086 meV omega= 7.6077 meV lambda( tot )= 0.621183 lambda_tr( tot )= 0.610359 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 60 coord.: 0.16667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.227496 gamma= -0.000509 meV omega= 0.8871 meV lambda_tr( 1 )= 1.793742 gamma_tr= 0.004011 meV omega= 0.8871 meV lambda( 2 )= 0.007224 gamma= 0.000649 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001715 gamma_tr= -0.000154 meV omega= 5.6224 meV lambda( 3 )= 0.032873 gamma= 0.003075 meV omega= 5.7371 meV lambda_tr( 3 )= 0.181079 gamma_tr= 0.016938 meV omega= 5.7371 meV lambda( tot )= -0.187398 lambda_tr( tot )= 1.973106 ------------------------------------------------------------------- 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 )= 0.059859 gamma= 0.002063 meV omega= 3.4821 meV lambda_tr( 1 )= -0.157513 gamma_tr= -0.005428 meV omega= 3.4821 meV lambda( 2 )= 0.056292 gamma= 0.002147 meV omega= 3.6633 meV lambda_tr( 2 )= 0.279513 gamma_tr= 0.010660 meV omega= 3.6633 meV lambda( 3 )= 0.034513 gamma= 0.001854 meV omega= 4.3479 meV lambda_tr( 3 )= -0.130419 gamma_tr= -0.007007 meV omega= 4.3479 meV lambda( tot )= 0.150664 lambda_tr( tot )= -0.008419 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 62 coord.: 0.16667 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.537229 gamma= -0.011681 meV omega= 2.7660 meV lambda_tr( 1 )= 0.068069 gamma_tr= 0.001480 meV omega= 2.7660 meV lambda( 2 )= -0.280070 gamma= -0.008849 meV omega= 3.3343 meV lambda_tr( 2 )= -0.885107 gamma_tr= -0.027965 meV omega= 3.3343 meV lambda( 3 )= 0.091407 gamma= 0.008563 meV omega= 5.7413 meV lambda_tr( 3 )= -0.967345 gamma_tr= -0.090618 meV omega= 5.7413 meV lambda( tot )= -0.725892 lambda_tr( tot )= -1.784383 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 63 coord.: 0.16667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.402433 gamma= -0.000900 meV omega= 0.8871 meV lambda_tr( 1 )= 1.436543 gamma_tr= 0.003213 meV omega= 0.8871 meV lambda( 2 )= 0.006048 gamma= 0.000543 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001398 gamma_tr= -0.000126 meV omega= 5.6224 meV lambda( 3 )= 0.031057 gamma= 0.002905 meV omega= 5.7371 meV lambda_tr( 3 )= 0.174449 gamma_tr= 0.016318 meV omega= 5.7371 meV lambda( tot )= -0.365328 lambda_tr( tot )= 1.609594 ------------------------------------------------------------------- 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= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda( 2 )= 0.214810 gamma= 0.007110 meV omega= 3.4127 meV lambda_tr( 2 )= 0.200075 gamma_tr= 0.006622 meV omega= 3.4127 meV lambda( 3 )= 0.112021 gamma= 0.018425 meV omega= 7.6077 meV lambda_tr( 3 )= 0.118795 gamma_tr= 0.019539 meV omega= 7.6077 meV lambda( tot )= 0.326831 lambda_tr( tot )= 0.318870 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012726 gamma= 0.002202 meV omega= 7.8031 meV lambda_tr( 3 )= 0.000564 gamma_tr= 0.000098 meV omega= 7.8031 meV lambda( tot )= 0.012726 lambda_tr( tot )= 0.000564 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 7.659897 gamma= 0.077748 meV omega= 1.8899 meV lambda_tr( 2 )= -28.536388 gamma_tr= -0.289646 meV omega= 1.8899 meV lambda( 3 )= 0.162248 gamma= 0.019221 meV omega= 6.4564 meV lambda_tr( 3 )= 0.822358 gamma_tr= 0.097421 meV omega= 6.4564 meV lambda( tot )= 7.822145 lambda_tr( tot )= -27.714029 ------------------------------------------------------------------- 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= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV lambda( 2 )= -1.861412 gamma= -0.029272 meV omega= 2.3523 meV lambda_tr( 2 )= -3.612703 gamma_tr= -0.056812 meV omega= 2.3523 meV lambda( 3 )= 0.395642 gamma= 0.010250 meV omega= 3.0193 meV lambda_tr( 3 )= -0.057120 gamma_tr= -0.001480 meV omega= 3.0193 meV lambda( tot )= -1.465771 lambda_tr( tot )= -3.669824 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.008938 gamma= 0.000743 meV omega= 5.4074 meV lambda_tr( 3 )= -0.033947 gamma_tr= -0.002821 meV omega= 5.4074 meV lambda( tot )= 0.008938 lambda_tr( tot )= -0.033947 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 4.315650 gamma= 0.043804 meV omega= 1.8899 meV lambda_tr( 2 )= -33.577767 gamma_tr= -0.340816 meV omega= 1.8899 meV lambda( 3 )= 0.142580 gamma= 0.016891 meV omega= 6.4564 meV lambda_tr( 3 )= 0.778202 gamma_tr= 0.092190 meV omega= 6.4564 meV lambda( tot )= 4.458230 lambda_tr( tot )= -32.799565 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 70 coord.: 0.16667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.433887 gamma= -0.000970 meV omega= 0.8871 meV lambda_tr( 1 )= 1.527964 gamma_tr= 0.003417 meV omega= 0.8871 meV lambda( 2 )= 0.006206 gamma= 0.000558 meV omega= 5.6224 meV lambda_tr( 2 )= -0.000834 gamma_tr= -0.000075 meV omega= 5.6224 meV lambda( 3 )= 0.031019 gamma= 0.002902 meV omega= 5.7371 meV lambda_tr( 3 )= 0.173714 gamma_tr= 0.016249 meV omega= 5.7371 meV lambda( tot )= -0.396662 lambda_tr( tot )= 1.700844 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 5.751650 gamma= 0.058380 meV omega= 1.8899 meV lambda_tr( 2 )= -30.527908 gamma_tr= -0.309860 meV omega= 1.8899 meV lambda( 3 )= 0.171629 gamma= 0.020332 meV omega= 6.4564 meV lambda_tr( 3 )= 0.773896 gamma_tr= 0.091680 meV omega= 6.4564 meV lambda( tot )= 5.923279 lambda_tr( tot )= -29.754011 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009989 gamma= 0.000830 meV omega= 5.4074 meV lambda_tr( 3 )= -0.034608 gamma_tr= -0.002876 meV omega= 5.4074 meV lambda( tot )= 0.009989 lambda_tr( tot )= -0.034608 ------------------------------------------------------------------- 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 )= 0.311233 gamma= 0.005108 meV omega= 2.4032 meV lambda_tr( 1 )= -18.250255 gamma_tr= -0.299532 meV omega= 2.4032 meV lambda( 2 )= 0.325619 gamma= 0.005344 meV omega= 2.4032 meV lambda_tr( 2 )= -18.686013 gamma_tr= -0.306683 meV omega= 2.4032 meV lambda( 3 )= 0.575617 gamma= 0.018080 meV omega= 3.3246 meV lambda_tr( 3 )= -24.349280 gamma_tr= -0.764826 meV omega= 3.3246 meV lambda( tot )= 1.212469 lambda_tr( tot )= -61.285548 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.010060 gamma= 0.000836 meV omega= 5.4074 meV lambda_tr( 3 )= -0.033313 gamma_tr= -0.002768 meV omega= 5.4074 meV lambda( tot )= 0.010060 lambda_tr( tot )= -0.033313 ------------------------------------------------------------------- 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= -4.5024 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.5024 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda( 3 )= 0.023594 gamma= 0.003516 meV omega= 7.2413 meV lambda_tr( 3 )= 0.018759 gamma_tr= 0.002795 meV omega= 7.2413 meV lambda( tot )= 0.023594 lambda_tr( tot )= 0.018759 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012928 gamma= 0.002237 meV omega= 7.8031 meV lambda_tr( 3 )= -0.000774 gamma_tr= -0.000134 meV omega= 7.8031 meV lambda( tot )= 0.012928 lambda_tr( tot )= -0.000774 ------------------------------------------------------------------- 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 )= 0.201582 gamma= 0.005319 meV omega= 3.0471 meV lambda_tr( 1 )= 9.745256 gamma_tr= 0.257149 meV omega= 3.0471 meV lambda( 2 )= 0.372814 gamma= 0.014178 meV omega= 3.6582 meV lambda_tr( 2 )= 1.462950 gamma_tr= 0.055637 meV omega= 3.6582 meV lambda( 3 )= 0.135830 gamma= 0.016462 meV omega= 6.5304 meV lambda_tr( 3 )= 2.255564 gamma_tr= 0.273363 meV omega= 6.5304 meV lambda( tot )= 0.710226 lambda_tr( tot )= 13.463770 ------------------------------------------------------------------- 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 )= 0.062787 gamma= 0.002164 meV omega= 3.4821 meV lambda_tr( 1 )= -0.151016 gamma_tr= -0.005204 meV omega= 3.4821 meV lambda( 2 )= 0.059552 gamma= 0.002271 meV omega= 3.6633 meV lambda_tr( 2 )= 0.283031 gamma_tr= 0.010794 meV omega= 3.6633 meV lambda( 3 )= 0.036553 gamma= 0.001964 meV omega= 4.3479 meV lambda_tr( 3 )= -0.123369 gamma_tr= -0.006628 meV omega= 4.3479 meV lambda( tot )= 0.158892 lambda_tr( tot )= 0.008647 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009191 gamma= 0.000764 meV omega= 5.4074 meV lambda_tr( 3 )= -0.037855 gamma_tr= -0.003146 meV omega= 5.4074 meV lambda( tot )= 0.009191 lambda_tr( tot )= -0.037855 ------------------------------------------------------------------- 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= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV lambda( 2 )= -1.263090 gamma= -0.019863 meV omega= 2.3523 meV lambda_tr( 2 )= -3.088746 gamma_tr= -0.048573 meV omega= 2.3523 meV lambda( 3 )= 0.020121 gamma= 0.000521 meV omega= 3.0193 meV lambda_tr( 3 )= -0.393995 gamma_tr= -0.010207 meV omega= 3.0193 meV lambda( tot )= -1.242969 lambda_tr( tot )= -3.482742 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009615 gamma= 0.000799 meV omega= 5.4074 meV lambda_tr( 3 )= -0.035520 gamma_tr= -0.002952 meV omega= 5.4074 meV lambda( tot )= 0.009615 lambda_tr( tot )= -0.035520 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 4.483964 gamma= 0.045512 meV omega= 1.8899 meV lambda_tr( 2 )= -31.791645 gamma_tr= -0.322687 meV omega= 1.8899 meV lambda( 3 )= 0.147392 gamma= 0.017461 meV omega= 6.4564 meV lambda_tr( 3 )= 0.776296 gamma_tr= 0.091964 meV omega= 6.4564 meV lambda( tot )= 4.631357 lambda_tr( tot )= -31.015349 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 83 coord.: 0.33333 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.188775 gamma= -0.000422 meV omega= 0.8871 meV lambda_tr( 1 )= 1.891071 gamma_tr= 0.004229 meV omega= 0.8871 meV lambda( 2 )= 0.006424 gamma= 0.000577 meV omega= 5.6224 meV lambda_tr( 2 )= -0.000539 gamma_tr= -0.000048 meV omega= 5.6224 meV lambda( 3 )= 0.032492 gamma= 0.003039 meV omega= 5.7371 meV lambda_tr( 3 )= 0.177164 gamma_tr= 0.016572 meV omega= 5.7371 meV lambda( tot )= -0.149859 lambda_tr( tot )= 2.067696 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 6.760367 gamma= 0.068618 meV omega= 1.8899 meV lambda_tr( 2 )= -27.861156 gamma_tr= -0.282792 meV omega= 1.8899 meV lambda( 3 )= 0.167945 gamma= 0.019896 meV omega= 6.4564 meV lambda_tr( 3 )= 0.772222 gamma_tr= 0.091481 meV omega= 6.4564 meV lambda( tot )= 6.928312 lambda_tr( tot )= -27.088934 ------------------------------------------------------------------- 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= -4.5024 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.5024 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda( 3 )= 0.023480 gamma= 0.003499 meV omega= 7.2413 meV lambda_tr( 3 )= 0.018782 gamma_tr= 0.002799 meV omega= 7.2413 meV lambda( tot )= 0.023480 lambda_tr( tot )= 0.018782 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009340 gamma= 0.000776 meV omega= 5.4074 meV lambda_tr( 3 )= -0.037944 gamma_tr= -0.003153 meV omega= 5.4074 meV lambda( tot )= 0.009340 lambda_tr( tot )= -0.037944 ------------------------------------------------------------------- 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 )= 0.318548 gamma= 0.005228 meV omega= 2.4032 meV lambda_tr( 1 )= -18.567022 gamma_tr= -0.304730 meV omega= 2.4032 meV lambda( 2 )= 0.317897 gamma= 0.005217 meV omega= 2.4032 meV lambda_tr( 2 )= -18.979562 gamma_tr= -0.311501 meV omega= 2.4032 meV lambda( 3 )= 0.578126 gamma= 0.018159 meV omega= 3.3246 meV lambda_tr( 3 )= -24.696191 gamma_tr= -0.775723 meV omega= 3.3246 meV lambda( tot )= 1.214571 lambda_tr( tot )= -62.242775 ------------------------------------------------------------------- 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 )= 0.056881 gamma= 0.001960 meV omega= 3.4821 meV lambda_tr( 1 )= -0.151021 gamma_tr= -0.005204 meV omega= 3.4821 meV lambda( 2 )= 0.060878 gamma= 0.002322 meV omega= 3.6633 meV lambda_tr( 2 )= 0.305463 gamma_tr= 0.011650 meV omega= 3.6633 meV lambda( 3 )= 0.038875 gamma= 0.002089 meV omega= 4.3479 meV lambda_tr( 3 )= -0.124904 gamma_tr= -0.006710 meV omega= 4.3479 meV lambda( tot )= 0.156634 lambda_tr( tot )= 0.029538 ------------------------------------------------------------------- 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 )= 0.175812 gamma= 0.004639 meV omega= 3.0471 meV lambda_tr( 1 )= 8.291059 gamma_tr= 0.218777 meV omega= 3.0471 meV lambda( 2 )= 0.343807 gamma= 0.013075 meV omega= 3.6582 meV lambda_tr( 2 )= 1.373530 gamma_tr= 0.052236 meV omega= 3.6582 meV lambda( 3 )= 0.131000 gamma= 0.015877 meV omega= 6.5304 meV lambda_tr( 3 )= 2.172697 gamma_tr= 0.263319 meV omega= 6.5304 meV lambda( tot )= 0.650619 lambda_tr( tot )= 11.837285 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012524 gamma= 0.002167 meV omega= 7.8031 meV lambda_tr( 3 )= 0.000787 gamma_tr= 0.000136 meV omega= 7.8031 meV lambda( tot )= 0.012524 lambda_tr( tot )= 0.000787 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012653 gamma= 0.002189 meV omega= 7.8031 meV lambda_tr( 3 )= 0.000363 gamma_tr= 0.000063 meV omega= 7.8031 meV lambda( tot )= 0.012653 lambda_tr( tot )= 0.000363 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 7.738154 gamma= 0.078543 meV omega= 1.8899 meV lambda_tr( 2 )= -28.827201 gamma_tr= -0.292598 meV omega= 1.8899 meV lambda( 3 )= 0.178007 gamma= 0.021088 meV omega= 6.4564 meV lambda_tr( 3 )= 0.786475 gamma_tr= 0.093170 meV omega= 6.4564 meV lambda( tot )= 7.916160 lambda_tr( tot )= -28.040726 ------------------------------------------------------------------- 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 )= 0.062133 gamma= 0.002141 meV omega= 3.4821 meV lambda_tr( 1 )= -0.144718 gamma_tr= -0.004987 meV omega= 3.4821 meV lambda( 2 )= 0.060444 gamma= 0.002305 meV omega= 3.6633 meV lambda_tr( 2 )= 0.296348 gamma_tr= 0.011302 meV omega= 3.6633 meV lambda( 3 )= 0.036214 gamma= 0.001946 meV omega= 4.3479 meV lambda_tr( 3 )= -0.122571 gamma_tr= -0.006585 meV omega= 4.3479 meV lambda( tot )= 0.158791 lambda_tr( tot )= 0.029059 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 94 coord.: 0.33333 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.402627 gamma= 0.008754 meV omega= 2.7660 meV lambda_tr( 1 )= 0.004654 gamma_tr= 0.000101 meV omega= 2.7660 meV lambda( 2 )= -0.054521 gamma= -0.001723 meV omega= 3.3343 meV lambda_tr( 2 )= -0.716439 gamma_tr= -0.022636 meV omega= 3.3343 meV lambda( 3 )= 0.318905 gamma= 0.029874 meV omega= 5.7413 meV lambda_tr( 3 )= -0.818042 gamma_tr= -0.076632 meV omega= 5.7413 meV lambda( tot )= 0.667011 lambda_tr( tot )= -1.529827 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 95 coord.: 0.33333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.221365 gamma= -0.000495 meV omega= 0.8871 meV lambda_tr( 1 )= 1.655867 gamma_tr= 0.003703 meV omega= 0.8871 meV lambda( 2 )= 0.006308 gamma= 0.000567 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001510 gamma_tr= -0.000136 meV omega= 5.6224 meV lambda( 3 )= 0.031744 gamma= 0.002969 meV omega= 5.7371 meV lambda_tr( 3 )= 0.175180 gamma_tr= 0.016386 meV omega= 5.7371 meV lambda( tot )= -0.183313 lambda_tr( tot )= 1.829538 ------------------------------------------------------------------- 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= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda( 2 )= 0.330967 gamma= 0.010954 meV omega= 3.4127 meV lambda_tr( 2 )= 0.320052 gamma_tr= 0.010593 meV omega= 3.4127 meV lambda( 3 )= 0.081110 gamma= 0.013341 meV omega= 7.6077 meV lambda_tr( 3 )= 0.087269 gamma_tr= 0.014354 meV omega= 7.6077 meV lambda( tot )= 0.412078 lambda_tr( tot )= 0.407321 ------------------------------------------------------------------- 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 )= 0.175819 gamma= 0.004639 meV omega= 3.0471 meV lambda_tr( 1 )= 8.291067 gamma_tr= 0.218777 meV omega= 3.0471 meV lambda( 2 )= 0.343804 gamma= 0.013075 meV omega= 3.6582 meV lambda_tr( 2 )= 1.373515 gamma_tr= 0.052236 meV omega= 3.6582 meV lambda( 3 )= 0.131000 gamma= 0.015877 meV omega= 6.5304 meV lambda_tr( 3 )= 2.172696 gamma_tr= 0.263319 meV omega= 6.5304 meV lambda( tot )= 0.650623 lambda_tr( tot )= 11.837279 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 98 coord.: 0.33333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.108647 gamma= -0.000243 meV omega= 0.8871 meV lambda_tr( 1 )= 1.984298 gamma_tr= 0.004438 meV omega= 0.8871 meV lambda( 2 )= 0.006503 gamma= 0.000584 meV omega= 5.6224 meV lambda_tr( 2 )= 0.000024 gamma_tr= 0.000002 meV omega= 5.6224 meV lambda( 3 )= 0.032248 gamma= 0.003016 meV omega= 5.7371 meV lambda_tr( 3 )= 0.175410 gamma_tr= 0.016408 meV omega= 5.7371 meV lambda( tot )= -0.069897 lambda_tr( tot )= 2.159732 ------------------------------------------------------------------- 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 )= 0.201601 gamma= 0.005320 meV omega= 3.0471 meV lambda_tr( 1 )= 9.745287 gamma_tr= 0.257150 meV omega= 3.0471 meV lambda( 2 )= 0.372807 gamma= 0.014178 meV omega= 3.6582 meV lambda_tr( 2 )= 1.462935 gamma_tr= 0.055637 meV omega= 3.6582 meV lambda( 3 )= 0.135830 gamma= 0.016462 meV omega= 6.5304 meV lambda_tr( 3 )= 2.255565 gamma_tr= 0.273363 meV omega= 6.5304 meV lambda( tot )= 0.710239 lambda_tr( tot )= 13.463787 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 100 coord.: 0.33333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.117399 gamma= -0.000263 meV omega= 0.8871 meV lambda_tr( 1 )= 1.930190 gamma_tr= 0.004317 meV omega= 0.8871 meV lambda( 2 )= 0.007735 gamma= 0.000695 meV omega= 5.6224 meV lambda_tr( 2 )= -0.000723 gamma_tr= -0.000065 meV omega= 5.6224 meV lambda( 3 )= 0.032008 gamma= 0.002994 meV omega= 5.7371 meV lambda_tr( 3 )= 0.180670 gamma_tr= 0.016900 meV omega= 5.7371 meV lambda( tot )= -0.077656 lambda_tr( tot )= 2.110136 ------------------------------------------------------------------- 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 )= 0.209980 gamma= 0.005541 meV omega= 3.0471 meV lambda_tr( 1 )= 10.280974 gamma_tr= 0.271285 meV omega= 3.0471 meV lambda( 2 )= 0.400889 gamma= 0.015246 meV omega= 3.6582 meV lambda_tr( 2 )= 1.647067 gamma_tr= 0.062639 meV omega= 3.6582 meV lambda( 3 )= 0.140789 gamma= 0.017063 meV omega= 6.5304 meV lambda_tr( 3 )= 2.322112 gamma_tr= 0.281428 meV omega= 6.5304 meV lambda( tot )= 0.751658 lambda_tr( tot )= 14.250152 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 102 coord.: 0.33333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.250956 gamma= -0.000561 meV omega= 0.8871 meV lambda_tr( 1 )= 1.593236 gamma_tr= 0.003563 meV omega= 0.8871 meV lambda( 2 )= 0.006110 gamma= 0.000549 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001371 gamma_tr= -0.000123 meV omega= 5.6224 meV lambda( 3 )= 0.030318 gamma= 0.002836 meV omega= 5.7371 meV lambda_tr( 3 )= 0.171573 gamma_tr= 0.016049 meV omega= 5.7371 meV lambda( tot )= -0.214528 lambda_tr( tot )= 1.763438 ------------------------------------------------------------------- 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 )= 0.055352 gamma= 0.001907 meV omega= 3.4821 meV lambda_tr( 1 )= -0.158415 gamma_tr= -0.005459 meV omega= 3.4821 meV lambda( 2 )= 0.058195 gamma= 0.002219 meV omega= 3.6633 meV lambda_tr( 2 )= 0.288897 gamma_tr= 0.011018 meV omega= 3.6633 meV lambda( 3 )= 0.039020 gamma= 0.002096 meV omega= 4.3479 meV lambda_tr( 3 )= -0.129075 gamma_tr= -0.006935 meV omega= 4.3479 meV lambda( tot )= 0.152567 lambda_tr( tot )= 0.001408 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 5.480333 gamma= 0.055626 meV omega= 1.8899 meV lambda_tr( 2 )= -30.901204 gamma_tr= -0.313649 meV omega= 1.8899 meV lambda( 3 )= 0.168097 gamma= 0.019914 meV omega= 6.4564 meV lambda_tr( 3 )= 0.750424 gamma_tr= 0.088899 meV omega= 6.4564 meV lambda( tot )= 5.648430 lambda_tr( tot )= -30.150780 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012654 gamma= 0.002190 meV omega= 7.8031 meV lambda_tr( 3 )= -0.001221 gamma_tr= -0.000211 meV omega= 7.8031 meV lambda( tot )= 0.012654 lambda_tr( tot )= -0.001221 ------------------------------------------------------------------- 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= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda( 2 )= 0.422750 gamma= 0.013992 meV omega= 3.4127 meV lambda_tr( 2 )= 0.406067 gamma_tr= 0.013440 meV omega= 3.4127 meV lambda( 3 )= 0.099572 gamma= 0.016378 meV omega= 7.6077 meV lambda_tr( 3 )= 0.107446 gamma_tr= 0.017673 meV omega= 7.6077 meV lambda( tot )= 0.522322 lambda_tr( tot )= 0.513513 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 107 coord.: 0.33333 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.240945 gamma= -0.000539 meV omega= 0.8871 meV lambda_tr( 1 )= 1.635396 gamma_tr= 0.003657 meV omega= 0.8871 meV lambda( 2 )= 0.007296 gamma= 0.000655 meV omega= 5.6224 meV lambda_tr( 2 )= -0.000366 gamma_tr= -0.000033 meV omega= 5.6224 meV lambda( 3 )= 0.032601 gamma= 0.003049 meV omega= 5.7371 meV lambda_tr( 3 )= 0.180225 gamma_tr= 0.016858 meV omega= 5.7371 meV lambda( tot )= -0.201049 lambda_tr( tot )= 1.815254 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 108 coord.: 0.33333 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.109860 gamma= 0.002389 meV omega= 2.7660 meV lambda_tr( 1 )= -0.283749 gamma_tr= -0.006170 meV omega= 2.7660 meV lambda( 2 )= -0.248649 gamma= -0.007856 meV omega= 3.3343 meV lambda_tr( 2 )= -0.963673 gamma_tr= -0.030448 meV omega= 3.3343 meV lambda( 3 )= 0.331907 gamma= 0.031092 meV omega= 5.7413 meV lambda_tr( 3 )= -0.783926 gamma_tr= -0.073436 meV omega= 5.7413 meV lambda( tot )= 0.193118 lambda_tr( tot )= -2.031348 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= 3.8020 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8020 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.8020 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8020 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 4.6498 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 4.6498 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 110 coord.: 0.50000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.692548 gamma= -0.015058 meV omega= 2.7660 meV lambda_tr( 1 )= -0.560791 gamma_tr= -0.012193 meV omega= 2.7660 meV lambda( 2 )= -0.245789 gamma= -0.007766 meV omega= 3.3343 meV lambda_tr( 2 )= -0.864536 gamma_tr= -0.027315 meV omega= 3.3343 meV lambda( 3 )= 0.137311 gamma= 0.012863 meV omega= 5.7413 meV lambda_tr( 3 )= -0.969923 gamma_tr= -0.090860 meV omega= 5.7413 meV lambda( tot )= -0.801026 lambda_tr( tot )= -2.395250 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012624 gamma= 0.002184 meV omega= 7.8031 meV lambda_tr( 3 )= -0.000025 gamma_tr= -0.000004 meV omega= 7.8031 meV lambda( tot )= 0.012624 lambda_tr( tot )= -0.000025 ------------------------------------------------------------------- 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_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.3788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.3788 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.3788 meV lambda( 3 )= 0.560658 gamma= 0.116772 meV omega= 8.5608 meV lambda_tr( 3 )= 3.413505 gamma_tr= 0.710954 meV omega= 8.5608 meV lambda( tot )= 0.560658 lambda_tr( tot )= 3.413505 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012553 gamma= 0.002172 meV omega= 7.8031 meV lambda_tr( 3 )= 0.000707 gamma_tr= 0.000122 meV omega= 7.8031 meV lambda( tot )= 0.012553 lambda_tr( tot )= 0.000707 ------------------------------------------------------------------- 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 )= 1.476791 gamma= 0.032110 meV omega= 2.7660 meV lambda_tr( 1 )= 1.241469 gamma_tr= 0.026993 meV omega= 2.7660 meV lambda( 2 )= 0.172226 gamma= 0.005442 meV omega= 3.3343 meV lambda_tr( 2 )= -0.409248 gamma_tr= -0.012930 meV omega= 3.3343 meV lambda( 3 )= 0.309487 gamma= 0.028992 meV omega= 5.7413 meV lambda_tr( 3 )= -0.838840 gamma_tr= -0.078580 meV omega= 5.7413 meV lambda( tot )= 1.958504 lambda_tr( tot )= -0.006619 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 115 coord.: 0.50000 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.984518 gamma= 0.021407 meV omega= 2.7660 meV lambda_tr( 1 )= 0.541138 gamma_tr= 0.011766 meV omega= 2.7660 meV lambda( 2 )= -0.161330 gamma= -0.005097 meV omega= 3.3343 meV lambda_tr( 2 )= -0.873463 gamma_tr= -0.027597 meV omega= 3.3343 meV lambda( 3 )= 0.370513 gamma= 0.034709 meV omega= 5.7413 meV lambda_tr( 3 )= -0.789739 gamma_tr= -0.073981 meV omega= 5.7413 meV lambda( tot )= 1.193701 lambda_tr( tot )= -1.122064 ------------------------------------------------------------------- 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 )= 0.061621 gamma= 0.002123 meV omega= 3.4821 meV lambda_tr( 1 )= -0.154852 gamma_tr= -0.005336 meV omega= 3.4821 meV lambda( 2 )= 0.062979 gamma= 0.002402 meV omega= 3.6633 meV lambda_tr( 2 )= 0.293924 gamma_tr= 0.011210 meV omega= 3.6633 meV lambda( 3 )= 0.037327 gamma= 0.002005 meV omega= 4.3479 meV lambda_tr( 3 )= -0.121077 gamma_tr= -0.006505 meV omega= 4.3479 meV lambda( tot )= 0.161927 lambda_tr( tot )= 0.017995 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 4.880501 gamma= 0.049537 meV omega= 1.8899 meV lambda_tr( 2 )= -31.080977 gamma_tr= -0.315474 meV omega= 1.8899 meV lambda( 3 )= 0.163849 gamma= 0.019410 meV omega= 6.4564 meV lambda_tr( 3 )= 0.848225 gamma_tr= 0.100485 meV omega= 6.4564 meV lambda( tot )= 5.044350 lambda_tr( tot )= -30.232751 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012681 gamma= 0.002194 meV omega= 7.8031 meV lambda_tr( 3 )= -0.000661 gamma_tr= -0.000114 meV omega= 7.8031 meV lambda( tot )= 0.012681 lambda_tr( tot )= -0.000661 ------------------------------------------------------------------- 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= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda( 2 )= 0.341578 gamma= 0.011305 meV omega= 3.4127 meV lambda_tr( 2 )= 0.326516 gamma_tr= 0.010807 meV omega= 3.4127 meV lambda( 3 )= 0.091772 gamma= 0.015095 meV omega= 7.6077 meV lambda_tr( 3 )= 0.099354 gamma_tr= 0.016342 meV omega= 7.6077 meV lambda( tot )= 0.433350 lambda_tr( tot )= 0.425870 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 120 coord.: 0.50000 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.077662 gamma= -0.000174 meV omega= 0.8871 meV lambda_tr( 1 )= 2.077006 gamma_tr= 0.004645 meV omega= 0.8871 meV lambda( 2 )= 0.007704 gamma= 0.000692 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001190 gamma_tr= -0.000107 meV omega= 5.6224 meV lambda( 3 )= 0.033288 gamma= 0.003114 meV omega= 5.7371 meV lambda_tr( 3 )= 0.180246 gamma_tr= 0.016860 meV omega= 5.7371 meV lambda( tot )= -0.036670 lambda_tr( tot )= 2.256062 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.013219 gamma= 0.002287 meV omega= 7.8031 meV lambda_tr( 3 )= 0.000960 gamma_tr= 0.000166 meV omega= 7.8031 meV lambda( tot )= 0.013219 lambda_tr( tot )= 0.000960 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 6.950627 gamma= 0.070549 meV omega= 1.8899 meV lambda_tr( 2 )= -28.090493 gamma_tr= -0.285120 meV omega= 1.8899 meV lambda( 3 )= 0.166209 gamma= 0.019690 meV omega= 6.4564 meV lambda_tr( 3 )= 0.894885 gamma_tr= 0.106013 meV omega= 6.4564 meV lambda( tot )= 7.116837 lambda_tr( tot )= -27.195607 ------------------------------------------------------------------- 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 )= 0.062946 gamma= 0.002169 meV omega= 3.4821 meV lambda_tr( 1 )= -0.147198 gamma_tr= -0.005072 meV omega= 3.4821 meV lambda( 2 )= 0.063766 gamma= 0.002432 meV omega= 3.6633 meV lambda_tr( 2 )= 0.294486 gamma_tr= 0.011231 meV omega= 3.6633 meV lambda( 3 )= 0.037512 gamma= 0.002015 meV omega= 4.3479 meV lambda_tr( 3 )= -0.123289 gamma_tr= -0.006624 meV omega= 4.3479 meV lambda( tot )= 0.164223 lambda_tr( tot )= 0.024000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 124 coord.: 0.50000 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.758312 gamma= -0.016488 meV omega= 2.7660 meV lambda_tr( 1 )= -0.368759 gamma_tr= -0.008018 meV omega= 2.7660 meV lambda( 2 )= -0.320325 gamma= -0.010121 meV omega= 3.3343 meV lambda_tr( 2 )= -0.941934 gamma_tr= -0.029761 meV omega= 3.3343 meV lambda( 3 )= 0.214067 gamma= 0.020053 meV omega= 5.7413 meV lambda_tr( 3 )= -0.891651 gamma_tr= -0.083527 meV omega= 5.7413 meV lambda( tot )= -0.864570 lambda_tr( tot )= -2.202344 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 125 coord.: 0.50000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.220158 gamma= -0.000492 meV omega= 0.8871 meV lambda_tr( 1 )= 2.027766 gamma_tr= 0.004535 meV omega= 0.8871 meV lambda( 2 )= 0.005639 gamma= 0.000507 meV omega= 5.6224 meV lambda_tr( 2 )= -0.000540 gamma_tr= -0.000048 meV omega= 5.6224 meV lambda( 3 )= 0.030569 gamma= 0.002859 meV omega= 5.7371 meV lambda_tr( 3 )= 0.173150 gamma_tr= 0.016197 meV omega= 5.7371 meV lambda( tot )= -0.183950 lambda_tr( tot )= 2.200376 ------------------------------------------------------------------- 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= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda( 2 )= 0.233507 gamma= 0.007729 meV omega= 3.4127 meV lambda_tr( 2 )= 0.222749 gamma_tr= 0.007373 meV omega= 3.4127 meV lambda( 3 )= 0.103671 gamma= 0.017052 meV omega= 7.6077 meV lambda_tr( 3 )= 0.110849 gamma_tr= 0.018233 meV omega= 7.6077 meV lambda( tot )= 0.337178 lambda_tr( tot )= 0.333598 ------------------------------------------------------------------- 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_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.3788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.3788 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.3788 meV lambda( 3 )= 0.492539 gamma= 0.102584 meV omega= 8.5608 meV lambda_tr( 3 )= 3.188361 gamma_tr= 0.664062 meV omega= 8.5608 meV lambda( tot )= 0.492539 lambda_tr( tot )= 3.188361 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.013081 gamma= 0.002263 meV omega= 7.8031 meV lambda_tr( 3 )= 0.000259 gamma_tr= 0.000045 meV omega= 7.8031 meV lambda( tot )= 0.013081 lambda_tr( tot )= 0.000259 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 129 coord.: 0.50000 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.521383 gamma= 0.011337 meV omega= 2.7660 meV lambda_tr( 1 )= 0.524972 gamma_tr= 0.011415 meV omega= 2.7660 meV lambda( 2 )= -0.264999 gamma= -0.008373 meV omega= 3.3343 meV lambda_tr( 2 )= -0.953188 gamma_tr= -0.030116 meV omega= 3.3343 meV lambda( 3 )= 0.352898 gamma= 0.033058 meV omega= 5.7413 meV lambda_tr( 3 )= -0.786129 gamma_tr= -0.073642 meV omega= 5.7413 meV lambda( tot )= 0.609281 lambda_tr( tot )= -1.214346 ------------------------------------------------------------------- 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 )= 0.000000 gamma= 0.000000 meV omega= 3.8020 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8020 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 3.8020 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 3.8020 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 4.6498 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 4.6498 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 131 coord.: 0.50000 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.366275 gamma= -0.007964 meV omega= 2.7660 meV lambda_tr( 1 )= -0.379452 gamma_tr= -0.008250 meV omega= 2.7660 meV lambda( 2 )= -0.323687 gamma= -0.010227 meV omega= 3.3343 meV lambda_tr( 2 )= -0.977955 gamma_tr= -0.030899 meV omega= 3.3343 meV lambda( 3 )= 0.104247 gamma= 0.009766 meV omega= 5.7413 meV lambda_tr( 3 )= -1.001080 gamma_tr= -0.093778 meV omega= 5.7413 meV lambda( tot )= -0.585715 lambda_tr( tot )= -2.358487 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012219 gamma= 0.002114 meV omega= 7.8031 meV lambda_tr( 3 )= -0.000686 gamma_tr= -0.000119 meV omega= 7.8031 meV lambda( tot )= 0.012219 lambda_tr( tot )= -0.000686 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012422 gamma= 0.002149 meV omega= 7.8031 meV lambda_tr( 3 )= -0.001740 gamma_tr= -0.000301 meV omega= 7.8031 meV lambda( tot )= 0.012422 lambda_tr( tot )= -0.001740 ------------------------------------------------------------------- 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= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda( 2 )= 0.343035 gamma= 0.011354 meV omega= 3.4127 meV lambda_tr( 2 )= 0.329227 gamma_tr= 0.010897 meV omega= 3.4127 meV lambda( 3 )= 0.072150 gamma= 0.011867 meV omega= 7.6077 meV lambda_tr( 3 )= 0.079588 gamma_tr= 0.013091 meV omega= 7.6077 meV lambda( tot )= 0.415185 lambda_tr( tot )= 0.408815 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 135 coord.: 0.50000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.212929 gamma= -0.000476 meV omega= 0.8871 meV lambda_tr( 1 )= 1.749108 gamma_tr= 0.003912 meV omega= 0.8871 meV lambda( 2 )= 0.007402 gamma= 0.000665 meV omega= 5.6224 meV lambda_tr( 2 )= -0.002451 gamma_tr= -0.000220 meV omega= 5.6224 meV lambda( 3 )= 0.033132 gamma= 0.003099 meV omega= 5.7371 meV lambda_tr( 3 )= 0.180877 gamma_tr= 0.016919 meV omega= 5.7371 meV lambda( tot )= -0.172396 lambda_tr( tot )= 1.927534 ------------------------------------------------------------------- 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 )= 1.204962 gamma= 0.026200 meV omega= 2.7660 meV lambda_tr( 1 )= 0.318605 gamma_tr= 0.006927 meV omega= 2.7660 meV lambda( 2 )= 0.168600 gamma= 0.005327 meV omega= 3.3343 meV lambda_tr( 2 )= -0.484349 gamma_tr= -0.015303 meV omega= 3.3343 meV lambda( 3 )= 0.490248 gamma= 0.045925 meV omega= 5.7413 meV lambda_tr( 3 )= -0.692084 gamma_tr= -0.064833 meV omega= 5.7413 meV lambda( tot )= 1.863810 lambda_tr( tot )= -0.857828 ------------------------------------------------------------------- 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 )= 0.058743 gamma= 0.002024 meV omega= 3.4821 meV lambda_tr( 1 )= -0.163628 gamma_tr= -0.005638 meV omega= 3.4821 meV lambda( 2 )= 0.058896 gamma= 0.002246 meV omega= 3.6633 meV lambda_tr( 2 )= 0.291338 gamma_tr= 0.011111 meV omega= 3.6633 meV lambda( 3 )= 0.035546 gamma= 0.001910 meV omega= 4.3479 meV lambda_tr( 3 )= -0.122133 gamma_tr= -0.006562 meV omega= 4.3479 meV lambda( tot )= 0.153185 lambda_tr( tot )= 0.005577 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 4.344875 gamma= 0.044101 meV omega= 1.8899 meV lambda_tr( 2 )= -30.929309 gamma_tr= -0.313934 meV omega= 1.8899 meV lambda( 3 )= 0.202132 gamma= 0.023946 meV omega= 6.4564 meV lambda_tr( 3 )= 0.829228 gamma_tr= 0.098235 meV omega= 6.4564 meV lambda( tot )= 4.547007 lambda_tr( tot )= -30.100081 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 139 coord.: 0.50000 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.673658 gamma= -0.014647 meV omega= 2.7660 meV lambda_tr( 1 )= -0.355580 gamma_tr= -0.007731 meV omega= 2.7660 meV lambda( 2 )= -0.288208 gamma= -0.009106 meV omega= 3.3343 meV lambda_tr( 2 )= -1.036373 gamma_tr= -0.032745 meV omega= 3.3343 meV lambda( 3 )= 0.096543 gamma= 0.009044 meV omega= 5.7413 meV lambda_tr( 3 )= -0.961655 gamma_tr= -0.090085 meV omega= 5.7413 meV lambda( tot )= -0.865323 lambda_tr( tot )= -2.353607 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 140 coord.: 0.50000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.299961 gamma= -0.000671 meV omega= 0.8871 meV lambda_tr( 1 )= 1.758748 gamma_tr= 0.003933 meV omega= 0.8871 meV lambda( 2 )= 0.005568 gamma= 0.000500 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001021 gamma_tr= -0.000092 meV omega= 5.6224 meV lambda( 3 )= 0.030609 gamma= 0.002863 meV omega= 5.7371 meV lambda_tr( 3 )= 0.172628 gamma_tr= 0.016148 meV omega= 5.7371 meV lambda( tot )= -0.263784 lambda_tr( tot )= 1.930355 ------------------------------------------------------------------- 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= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda( 2 )= 0.315867 gamma= 0.010455 meV omega= 3.4127 meV lambda_tr( 2 )= 0.302678 gamma_tr= 0.010018 meV omega= 3.4127 meV lambda( 3 )= 0.093890 gamma= 0.015443 meV omega= 7.6077 meV lambda_tr( 3 )= 0.101422 gamma_tr= 0.016682 meV omega= 7.6077 meV lambda( tot )= 0.409757 lambda_tr( tot )= 0.404101 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.013027 gamma= 0.002254 meV omega= 7.8031 meV lambda_tr( 3 )= 0.000958 gamma_tr= 0.000166 meV omega= 7.8031 meV lambda( tot )= 0.013027 lambda_tr( tot )= 0.000958 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 7.573986 gamma= 0.076876 meV omega= 1.8899 meV lambda_tr( 2 )= -26.962650 gamma_tr= -0.273672 meV omega= 1.8899 meV lambda( 3 )= 0.159694 gamma= 0.018918 meV omega= 6.4564 meV lambda_tr( 3 )= 0.839813 gamma_tr= 0.099488 meV omega= 6.4564 meV lambda( tot )= 7.733680 lambda_tr( tot )= -26.122837 ------------------------------------------------------------------- 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 )= 0.062036 gamma= 0.002138 meV omega= 3.4821 meV lambda_tr( 1 )= -0.142366 gamma_tr= -0.004906 meV omega= 3.4821 meV lambda( 2 )= 0.065594 gamma= 0.002502 meV omega= 3.6633 meV lambda_tr( 2 )= 0.290609 gamma_tr= 0.011083 meV omega= 3.6633 meV lambda( 3 )= 0.037284 gamma= 0.002003 meV omega= 4.3479 meV lambda_tr( 3 )= -0.124188 gamma_tr= -0.006672 meV omega= 4.3479 meV lambda( tot )= 0.164914 lambda_tr( tot )= 0.024056 ------------------------------------------------------------------- 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 )= 0.311009 gamma= 0.005104 meV omega= 2.4032 meV lambda_tr( 1 )= -17.662148 gamma_tr= -0.289879 meV omega= 2.4032 meV lambda( 2 )= 0.312688 gamma= 0.005132 meV omega= 2.4032 meV lambda_tr( 2 )= -18.070657 gamma_tr= -0.296584 meV omega= 2.4032 meV lambda( 3 )= 0.585195 gamma= 0.018381 meV omega= 3.3246 meV lambda_tr( 3 )= -24.074231 gamma_tr= -0.756187 meV omega= 3.3246 meV lambda( tot )= 1.208893 lambda_tr( tot )= -59.807035 ------------------------------------------------------------------- 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 )= 0.062037 gamma= 0.002138 meV omega= 3.4821 meV lambda_tr( 1 )= -0.152052 gamma_tr= -0.005239 meV omega= 3.4821 meV lambda( 2 )= 0.055709 gamma= 0.002125 meV omega= 3.6633 meV lambda_tr( 2 )= 0.273844 gamma_tr= 0.010444 meV omega= 3.6633 meV lambda( 3 )= 0.036110 gamma= 0.001940 meV omega= 4.3479 meV lambda_tr( 3 )= -0.131922 gamma_tr= -0.007087 meV omega= 4.3479 meV lambda( tot )= 0.153856 lambda_tr( tot )= -0.010130 ------------------------------------------------------------------- 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 )= 0.182668 gamma= 0.004820 meV omega= 3.0471 meV lambda_tr( 1 )= 8.699553 gamma_tr= 0.229556 meV omega= 3.0471 meV lambda( 2 )= 0.390336 gamma= 0.014845 meV omega= 3.6582 meV lambda_tr( 2 )= 1.521788 gamma_tr= 0.057875 meV omega= 3.6582 meV lambda( 3 )= 0.136691 gamma= 0.016566 meV omega= 6.5304 meV lambda_tr( 3 )= 2.270833 gamma_tr= 0.275213 meV omega= 6.5304 meV lambda( tot )= 0.709696 lambda_tr( tot )= 12.492174 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012807 gamma= 0.002216 meV omega= 7.8031 meV lambda_tr( 3 )= -0.000159 gamma_tr= -0.000027 meV omega= 7.8031 meV lambda( tot )= 0.012807 lambda_tr( tot )= -0.000159 ------------------------------------------------------------------- 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= -4.5024 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.5024 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda( 3 )= 0.023594 gamma= 0.003516 meV omega= 7.2413 meV lambda_tr( 3 )= 0.018759 gamma_tr= 0.002795 meV omega= 7.2413 meV lambda( tot )= 0.023594 lambda_tr( tot )= 0.018759 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009685 gamma= 0.000805 meV omega= 5.4074 meV lambda_tr( 3 )= -0.036152 gamma_tr= -0.003004 meV omega= 5.4074 meV lambda( tot )= 0.009685 lambda_tr( tot )= -0.036152 ------------------------------------------------------------------- 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 )= 0.063553 gamma= 0.002190 meV omega= 3.4821 meV lambda_tr( 1 )= -0.153597 gamma_tr= -0.005293 meV omega= 3.4821 meV lambda( 2 )= 0.066587 gamma= 0.002539 meV omega= 3.6633 meV lambda_tr( 2 )= 0.310539 gamma_tr= 0.011843 meV omega= 3.6633 meV lambda( 3 )= 0.039486 gamma= 0.002121 meV omega= 4.3479 meV lambda_tr( 3 )= -0.121748 gamma_tr= -0.006541 meV omega= 4.3479 meV lambda( tot )= 0.169625 lambda_tr( tot )= 0.035194 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 152 coord.: 0.66667 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.208855 gamma= 0.004541 meV omega= 2.7660 meV lambda_tr( 1 )= 0.174010 gamma_tr= 0.003784 meV omega= 2.7660 meV lambda( 2 )= -0.018769 gamma= -0.000593 meV omega= 3.3343 meV lambda_tr( 2 )= -0.641412 gamma_tr= -0.020266 meV omega= 3.3343 meV lambda( 3 )= 0.318933 gamma= 0.029877 meV omega= 5.7413 meV lambda_tr( 3 )= -0.812296 gamma_tr= -0.076094 meV omega= 5.7413 meV lambda( tot )= 0.509019 lambda_tr( tot )= -1.279698 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 153 coord.: 0.66667 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.064738 gamma= -0.000145 meV omega= 0.8871 meV lambda_tr( 1 )= 2.452281 gamma_tr= 0.005484 meV omega= 0.8871 meV lambda( 2 )= 0.006912 gamma= 0.000621 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001564 gamma_tr= -0.000140 meV omega= 5.6224 meV lambda( 3 )= 0.031981 gamma= 0.002991 meV omega= 5.7371 meV lambda_tr( 3 )= 0.180991 gamma_tr= 0.016930 meV omega= 5.7371 meV lambda( tot )= -0.025845 lambda_tr( tot )= 2.631708 ------------------------------------------------------------------- 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= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda( 2 )= 0.146280 gamma= 0.004842 meV omega= 3.4127 meV lambda_tr( 2 )= 0.130004 gamma_tr= 0.004303 meV omega= 3.4127 meV lambda( 3 )= 0.077973 gamma= 0.012825 meV omega= 7.6077 meV lambda_tr( 3 )= 0.084944 gamma_tr= 0.013972 meV omega= 7.6077 meV lambda( tot )= 0.224253 lambda_tr( tot )= 0.214949 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.013005 gamma= 0.002250 meV omega= 7.8031 meV lambda_tr( 3 )= 0.000447 gamma_tr= 0.000077 meV omega= 7.8031 meV lambda( tot )= 0.013005 lambda_tr( tot )= 0.000447 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 7.379773 gamma= 0.074905 meV omega= 1.8899 meV lambda_tr( 2 )= -29.145837 gamma_tr= -0.295832 meV omega= 1.8899 meV lambda( 3 )= 0.194676 gamma= 0.023062 meV omega= 6.4564 meV lambda_tr( 3 )= 0.838339 gamma_tr= 0.099314 meV omega= 6.4564 meV lambda( tot )= 7.574449 lambda_tr( tot )= -28.307498 ------------------------------------------------------------------- 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 )= 0.214172 gamma= 0.005651 meV omega= 3.0471 meV lambda_tr( 1 )= 10.106750 gamma_tr= 0.266688 meV omega= 3.0471 meV lambda( 2 )= 0.380102 gamma= 0.014456 meV omega= 3.6582 meV lambda_tr( 2 )= 1.572299 gamma_tr= 0.059796 meV omega= 3.6582 meV lambda( 3 )= 0.143234 gamma= 0.017359 meV omega= 6.5304 meV lambda_tr( 3 )= 2.345606 gamma_tr= 0.284275 meV omega= 6.5304 meV lambda( tot )= 0.737508 lambda_tr( tot )= 14.024655 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 158 coord.: 0.66667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.246073 gamma= -0.000550 meV omega= 0.8871 meV lambda_tr( 1 )= 1.920125 gamma_tr= 0.004294 meV omega= 0.8871 meV lambda( 2 )= 0.007536 gamma= 0.000677 meV omega= 5.6224 meV lambda_tr( 2 )= -0.002918 gamma_tr= -0.000262 meV omega= 5.6224 meV lambda( 3 )= 0.032406 gamma= 0.003031 meV omega= 5.7371 meV lambda_tr( 3 )= 0.182531 gamma_tr= 0.017074 meV omega= 5.7371 meV lambda( tot )= -0.206131 lambda_tr( tot )= 2.099739 ------------------------------------------------------------------- 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 )= 0.210560 gamma= 0.005556 meV omega= 3.0471 meV lambda_tr( 1 )= 10.281569 gamma_tr= 0.271300 meV omega= 3.0471 meV lambda( 2 )= 0.401552 gamma= 0.015271 meV omega= 3.6582 meV lambda_tr( 2 )= 1.647531 gamma_tr= 0.062657 meV omega= 3.6582 meV lambda( 3 )= 0.140798 gamma= 0.017064 meV omega= 6.5304 meV lambda_tr( 3 )= 2.322146 gamma_tr= 0.281432 meV omega= 6.5304 meV lambda( tot )= 0.752910 lambda_tr( tot )= 14.251247 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 160 coord.: 0.66667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.227941 gamma= -0.000510 meV omega= 0.8871 meV lambda_tr( 1 )= 2.126493 gamma_tr= 0.004756 meV omega= 0.8871 meV lambda( 2 )= 0.006848 gamma= 0.000615 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001641 gamma_tr= -0.000147 meV omega= 5.6224 meV lambda( 3 )= 0.031898 gamma= 0.002984 meV omega= 5.7371 meV lambda_tr( 3 )= 0.180142 gamma_tr= 0.016851 meV omega= 5.7371 meV lambda( tot )= -0.189195 lambda_tr( tot )= 2.304993 ------------------------------------------------------------------- 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 )= 0.182647 gamma= 0.004820 meV omega= 3.0471 meV lambda_tr( 1 )= 8.699506 gamma_tr= 0.229554 meV omega= 3.0471 meV lambda( 2 )= 0.390335 gamma= 0.014845 meV omega= 3.6582 meV lambda_tr( 2 )= 1.521784 gamma_tr= 0.057875 meV omega= 3.6582 meV lambda( 3 )= 0.136692 gamma= 0.016566 meV omega= 6.5304 meV lambda_tr( 3 )= 2.270833 gamma_tr= 0.275213 meV omega= 6.5304 meV lambda( tot )= 0.709673 lambda_tr( tot )= 12.492124 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 162 coord.: 0.66667 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.198300 gamma= -0.000443 meV omega= 0.8871 meV lambda_tr( 1 )= 2.028772 gamma_tr= 0.004537 meV omega= 0.8871 meV lambda( 2 )= 0.006909 gamma= 0.000621 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001836 gamma_tr= -0.000165 meV omega= 5.6224 meV lambda( 3 )= 0.032873 gamma= 0.003075 meV omega= 5.7371 meV lambda_tr( 3 )= 0.179282 gamma_tr= 0.016770 meV omega= 5.7371 meV lambda( tot )= -0.158518 lambda_tr( tot )= 2.206218 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.013081 gamma= 0.002263 meV omega= 7.8031 meV lambda_tr( 3 )= -0.000168 gamma_tr= -0.000029 meV omega= 7.8031 meV lambda( tot )= 0.013081 lambda_tr( tot )= -0.000168 ------------------------------------------------------------------- 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= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda( 2 )= 0.297274 gamma= 0.009839 meV omega= 3.4127 meV lambda_tr( 2 )= 0.282798 gamma_tr= 0.009360 meV omega= 3.4127 meV lambda( 3 )= 0.082293 gamma= 0.013536 meV omega= 7.6077 meV lambda_tr( 3 )= 0.090523 gamma_tr= 0.014889 meV omega= 7.6077 meV lambda( tot )= 0.379567 lambda_tr( tot )= 0.373321 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 165 coord.: 0.66667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.248693 gamma= -0.000556 meV omega= 0.8871 meV lambda_tr( 1 )= 2.059767 gamma_tr= 0.004606 meV omega= 0.8871 meV lambda( 2 )= 0.007416 gamma= 0.000666 meV omega= 5.6224 meV lambda_tr( 2 )= -0.002342 gamma_tr= -0.000210 meV omega= 5.6224 meV lambda( 3 )= 0.032341 gamma= 0.003025 meV omega= 5.7371 meV lambda_tr( 3 )= 0.180879 gamma_tr= 0.016919 meV omega= 5.7371 meV lambda( tot )= -0.208936 lambda_tr( tot )= 2.238303 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 166 coord.: 0.66667 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.460286 gamma= 0.010008 meV omega= 2.7660 meV lambda_tr( 1 )= 0.341525 gamma_tr= 0.007426 meV omega= 2.7660 meV lambda( 2 )= -0.238999 gamma= -0.007551 meV omega= 3.3343 meV lambda_tr( 2 )= -0.836860 gamma_tr= -0.026441 meV omega= 3.3343 meV lambda( 3 )= 0.323669 gamma= 0.030320 meV omega= 5.7413 meV lambda_tr( 3 )= -0.799604 gamma_tr= -0.074905 meV omega= 5.7413 meV lambda( tot )= 0.544956 lambda_tr( tot )= -1.294939 ------------------------------------------------------------------- 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 )= 0.059876 gamma= 0.002063 meV omega= 3.4821 meV lambda_tr( 1 )= -0.148841 gamma_tr= -0.005129 meV omega= 3.4821 meV lambda( 2 )= 0.060410 gamma= 0.002304 meV omega= 3.6633 meV lambda_tr( 2 )= 0.286149 gamma_tr= 0.010913 meV omega= 3.6633 meV lambda( 3 )= 0.038987 gamma= 0.002095 meV omega= 4.3479 meV lambda_tr( 3 )= -0.126710 gamma_tr= -0.006807 meV omega= 4.3479 meV lambda( tot )= 0.159272 lambda_tr( tot )= 0.010598 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 5.095094 gamma= 0.051715 meV omega= 1.8899 meV lambda_tr( 2 )= -31.042581 gamma_tr= -0.315084 meV omega= 1.8899 meV lambda( 3 )= 0.152421 gamma= 0.018057 meV omega= 6.4564 meV lambda_tr( 3 )= 0.740891 gamma_tr= 0.087770 meV omega= 6.4564 meV lambda( tot )= 5.247516 lambda_tr( tot )= -30.301690 ------------------------------------------------------------------- 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= -4.5024 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.5024 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda( 3 )= 0.023480 gamma= 0.003499 meV omega= 7.2413 meV lambda_tr( 3 )= 0.018782 gamma_tr= 0.002799 meV omega= 7.2413 meV lambda( tot )= 0.023480 lambda_tr( tot )= 0.018782 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.013051 gamma= 0.002258 meV omega= 7.8031 meV lambda_tr( 3 )= -0.000985 gamma_tr= -0.000170 meV omega= 7.8031 meV lambda( tot )= 0.013051 lambda_tr( tot )= -0.000985 ------------------------------------------------------------------- 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 )= 0.214190 gamma= 0.005652 meV omega= 3.0471 meV lambda_tr( 1 )= 10.106788 gamma_tr= 0.266689 meV omega= 3.0471 meV lambda( 2 )= 0.380103 gamma= 0.014456 meV omega= 3.6582 meV lambda_tr( 2 )= 1.572298 gamma_tr= 0.059796 meV omega= 3.6582 meV lambda( 3 )= 0.143233 gamma= 0.017359 meV omega= 6.5304 meV lambda_tr( 3 )= 2.345605 gamma_tr= 0.284275 meV omega= 6.5304 meV lambda( tot )= 0.737526 lambda_tr( tot )= 14.024691 ------------------------------------------------------------------- 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 )= 0.064906 gamma= 0.002237 meV omega= 3.4821 meV lambda_tr( 1 )= -0.156913 gamma_tr= -0.005407 meV omega= 3.4821 meV lambda( 2 )= 0.061434 gamma= 0.002343 meV omega= 3.6633 meV lambda_tr( 2 )= 0.302480 gamma_tr= 0.011536 meV omega= 3.6633 meV lambda( 3 )= 0.040357 gamma= 0.002168 meV omega= 4.3479 meV lambda_tr( 3 )= -0.123080 gamma_tr= -0.006612 meV omega= 4.3479 meV lambda( tot )= 0.166697 lambda_tr( tot )= 0.022487 ------------------------------------------------------------------- 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 )= 0.323049 gamma= 0.005302 meV omega= 2.4032 meV lambda_tr( 1 )= -18.712341 gamma_tr= -0.307116 meV omega= 2.4032 meV lambda( 2 )= 0.314149 gamma= 0.005156 meV omega= 2.4032 meV lambda_tr( 2 )= -18.225548 gamma_tr= -0.299126 meV omega= 2.4032 meV lambda( 3 )= 0.575675 gamma= 0.018082 meV omega= 3.3246 meV lambda_tr( 3 )= -24.348691 gamma_tr= -0.764808 meV omega= 3.3246 meV lambda( tot )= 1.212873 lambda_tr( tot )= -61.286580 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.010073 gamma= 0.000837 meV omega= 5.4074 meV lambda_tr( 3 )= -0.032916 gamma_tr= -0.002735 meV omega= 5.4074 meV lambda( tot )= 0.010073 lambda_tr( tot )= -0.032916 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009598 gamma= 0.000798 meV omega= 5.4074 meV lambda_tr( 3 )= -0.034073 gamma_tr= -0.002831 meV omega= 5.4074 meV lambda( tot )= 0.009598 lambda_tr( tot )= -0.034073 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 5.302097 gamma= 0.053817 meV omega= 1.8899 meV lambda_tr( 2 )= -31.840703 gamma_tr= -0.323185 meV omega= 1.8899 meV lambda( 3 )= 0.144188 gamma= 0.017081 meV omega= 6.4564 meV lambda_tr( 3 )= 0.768969 gamma_tr= 0.091096 meV omega= 6.4564 meV lambda( tot )= 5.446285 lambda_tr( tot )= -31.071734 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 177 coord.: 0.66667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.238642 gamma= -0.000534 meV omega= 0.8871 meV lambda_tr( 1 )= 1.952266 gamma_tr= 0.004366 meV omega= 0.8871 meV lambda( 2 )= 0.006914 gamma= 0.000621 meV omega= 5.6224 meV lambda_tr( 2 )= -0.002084 gamma_tr= -0.000187 meV omega= 5.6224 meV lambda( 3 )= 0.033083 gamma= 0.003095 meV omega= 5.7371 meV lambda_tr( 3 )= 0.180694 gamma_tr= 0.016902 meV omega= 5.7371 meV lambda( tot )= -0.198644 lambda_tr( tot )= 2.130875 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 7.190225 gamma= 0.072981 meV omega= 1.8899 meV lambda_tr( 2 )= -28.312848 gamma_tr= -0.287377 meV omega= 1.8899 meV lambda( 3 )= 0.172176 gamma= 0.020397 meV omega= 6.4564 meV lambda_tr( 3 )= 0.835331 gamma_tr= 0.098958 meV omega= 6.4564 meV lambda( tot )= 7.362400 lambda_tr( tot )= -27.477517 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009381 gamma= 0.000780 meV omega= 5.4074 meV lambda_tr( 3 )= -0.037669 gamma_tr= -0.003130 meV omega= 5.4074 meV lambda( tot )= 0.009381 lambda_tr( tot )= -0.037669 ------------------------------------------------------------------- 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= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV lambda( 2 )= -2.015197 gamma= -0.031690 meV omega= 2.3523 meV lambda_tr( 2 )= -3.750614 gamma_tr= -0.058981 meV omega= 2.3523 meV lambda( 3 )= -0.129517 gamma= -0.003355 meV omega= 3.0193 meV lambda_tr( 3 )= -0.557686 gamma_tr= -0.014448 meV omega= 3.0193 meV lambda( tot )= -2.144714 lambda_tr( tot )= -4.308300 ------------------------------------------------------------------- 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= -1.2052 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2052 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4924 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.4924 meV lambda( tot )= 0.000000 lambda_tr( 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= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV lambda( 2 )= -1.326845 gamma= -0.020865 meV omega= 2.3523 meV lambda_tr( 2 )= -3.179607 gamma_tr= -0.050001 meV omega= 2.3523 meV lambda( 3 )= 0.311946 gamma= 0.008082 meV omega= 3.0193 meV lambda_tr( 3 )= -0.107426 gamma_tr= -0.002783 meV omega= 3.0193 meV lambda( tot )= -1.014900 lambda_tr( tot )= -3.287032 ------------------------------------------------------------------- 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 )= 0.060143 gamma= 0.002072 meV omega= 3.4821 meV lambda_tr( 1 )= -0.157384 gamma_tr= -0.005423 meV omega= 3.4821 meV lambda( 2 )= 0.056075 gamma= 0.002139 meV omega= 3.6633 meV lambda_tr( 2 )= 0.307914 gamma_tr= 0.011743 meV omega= 3.6633 meV lambda( 3 )= 0.039695 gamma= 0.002133 meV omega= 4.3479 meV lambda_tr( 3 )= -0.118049 gamma_tr= -0.006342 meV omega= 4.3479 meV lambda( tot )= 0.155912 lambda_tr( tot )= 0.032482 ------------------------------------------------------------------- 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 )= 1.627451 gamma= 0.035386 meV omega= 2.7660 meV lambda_tr( 1 )= 0.849883 gamma_tr= 0.018479 meV omega= 2.7660 meV lambda( 2 )= -0.023691 gamma= -0.000749 meV omega= 3.3343 meV lambda_tr( 2 )= -0.637307 gamma_tr= -0.020136 meV omega= 3.3343 meV lambda( 3 )= 0.313090 gamma= 0.029329 meV omega= 5.7413 meV lambda_tr( 3 )= -0.826726 gamma_tr= -0.077445 meV omega= 5.7413 meV lambda( tot )= 1.916850 lambda_tr( tot )= -0.614151 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009216 gamma= 0.000766 meV omega= 5.4074 meV lambda_tr( 3 )= -0.035187 gamma_tr= -0.002924 meV omega= 5.4074 meV lambda( tot )= 0.009216 lambda_tr( tot )= -0.035187 ------------------------------------------------------------------- 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= -3.2687 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2687 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda( 3 )= 0.229580 gamma= 0.010303 meV omega= 3.9739 meV lambda_tr( 3 )= 0.086013 gamma_tr= 0.003860 meV omega= 3.9739 meV lambda( tot )= 0.229580 lambda_tr( tot )= 0.086013 ------------------------------------------------------------------- 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= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV lambda( 2 )= -1.816134 gamma= -0.028560 meV omega= 2.3523 meV lambda_tr( 2 )= -3.541090 gamma_tr= -0.055686 meV omega= 2.3523 meV lambda( 3 )= 0.519911 gamma= 0.013469 meV omega= 3.0193 meV lambda_tr( 3 )= 0.034240 gamma_tr= 0.000887 meV omega= 3.0193 meV lambda( tot )= -1.296223 lambda_tr( tot )= -3.506850 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009843 gamma= 0.000818 meV omega= 5.4074 meV lambda_tr( 3 )= -0.038280 gamma_tr= -0.003181 meV omega= 5.4074 meV lambda( tot )= 0.009843 lambda_tr( tot )= -0.038280 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 7.246480 gamma= 0.073552 meV omega= 1.8899 meV lambda_tr( 2 )= -28.423563 gamma_tr= -0.288501 meV omega= 1.8899 meV lambda( 3 )= 0.150405 gamma= 0.017818 meV omega= 6.4564 meV lambda_tr( 3 )= 0.930606 gamma_tr= 0.110244 meV omega= 6.4564 meV lambda( tot )= 7.396885 lambda_tr( tot )= -27.492958 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 190 coord.: 0.83333 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.035664 gamma= -0.000080 meV omega= 0.8871 meV lambda_tr( 1 )= 2.403147 gamma_tr= 0.005374 meV omega= 0.8871 meV lambda( 2 )= 0.007791 gamma= 0.000700 meV omega= 5.6224 meV lambda_tr( 2 )= -0.003330 gamma_tr= -0.000299 meV omega= 5.6224 meV lambda( 3 )= 0.031652 gamma= 0.002961 meV omega= 5.7371 meV lambda_tr( 3 )= 0.183563 gamma_tr= 0.017171 meV omega= 5.7371 meV lambda( tot )= 0.003779 lambda_tr( tot )= 2.583380 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 7.733235 gamma= 0.078493 meV omega= 1.8899 meV lambda_tr( 2 )= -26.759307 gamma_tr= -0.271608 meV omega= 1.8899 meV lambda( 3 )= 0.207756 gamma= 0.024612 meV omega= 6.4564 meV lambda_tr( 3 )= 0.938774 gamma_tr= 0.111212 meV omega= 6.4564 meV lambda( tot )= 7.940991 lambda_tr( tot )= -25.820533 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009521 gamma= 0.000791 meV omega= 5.4074 meV lambda_tr( 3 )= -0.035229 gamma_tr= -0.002927 meV omega= 5.4074 meV lambda( tot )= 0.009521 lambda_tr( tot )= -0.035229 ------------------------------------------------------------------- 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 )= 0.062838 gamma= 0.002165 meV omega= 3.4821 meV lambda_tr( 1 )= -0.143393 gamma_tr= -0.004941 meV omega= 3.4821 meV lambda( 2 )= 0.063458 gamma= 0.002420 meV omega= 3.6633 meV lambda_tr( 2 )= 0.300558 gamma_tr= 0.011463 meV omega= 3.6633 meV lambda( 3 )= 0.035807 gamma= 0.001924 meV omega= 4.3479 meV lambda_tr( 3 )= -0.130867 gamma_tr= -0.007031 meV omega= 4.3479 meV lambda( tot )= 0.162102 lambda_tr( tot )= 0.026299 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 3.408674 gamma= 0.034598 meV omega= 1.8899 meV lambda_tr( 2 )= -32.572135 gamma_tr= -0.330609 meV omega= 1.8899 meV lambda( 3 )= 0.148537 gamma= 0.017596 meV omega= 6.4564 meV lambda_tr( 3 )= 0.851565 gamma_tr= 0.100881 meV omega= 6.4564 meV lambda( tot )= 3.557211 lambda_tr( tot )= -31.720570 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.013164 gamma= 0.002278 meV omega= 7.8031 meV lambda_tr( 3 )= -0.000982 gamma_tr= -0.000170 meV omega= 7.8031 meV lambda( tot )= 0.013164 lambda_tr( tot )= -0.000982 ------------------------------------------------------------------- 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= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda( 2 )= 0.392572 gamma= 0.012993 meV omega= 3.4127 meV lambda_tr( 2 )= 0.373602 gamma_tr= 0.012365 meV omega= 3.4127 meV lambda( 3 )= 0.103585 gamma= 0.017038 meV omega= 7.6077 meV lambda_tr( 3 )= 0.113378 gamma_tr= 0.018648 meV omega= 7.6077 meV lambda( tot )= 0.496157 lambda_tr( tot )= 0.486980 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 197 coord.: 0.83333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.071235 gamma= -0.000159 meV omega= 0.8871 meV lambda_tr( 1 )= 2.380496 gamma_tr= 0.005324 meV omega= 0.8871 meV lambda( 2 )= 0.007422 gamma= 0.000667 meV omega= 5.6224 meV lambda_tr( 2 )= -0.002395 gamma_tr= -0.000215 meV omega= 5.6224 meV lambda( 3 )= 0.032329 gamma= 0.003024 meV omega= 5.7371 meV lambda_tr( 3 )= 0.183360 gamma_tr= 0.017152 meV omega= 5.7371 meV lambda( tot )= -0.031483 lambda_tr( tot )= 2.561461 ------------------------------------------------------------------- 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 )= 1.340035 gamma= 0.029137 meV omega= 2.7660 meV lambda_tr( 1 )= 1.024160 gamma_tr= 0.022268 meV omega= 2.7660 meV lambda( 2 )= -0.138335 gamma= -0.004371 meV omega= 3.3343 meV lambda_tr( 2 )= -0.753662 gamma_tr= -0.023812 meV omega= 3.3343 meV lambda( 3 )= 0.186535 gamma= 0.017474 meV omega= 5.7413 meV lambda_tr( 3 )= -0.931569 gamma_tr= -0.087267 meV omega= 5.7413 meV lambda( tot )= 1.388235 lambda_tr( tot )= -0.661072 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 199 coord.: 0.83333 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.054114 gamma= 0.001177 meV omega= 2.7660 meV lambda_tr( 1 )= 0.392096 gamma_tr= 0.008525 meV omega= 2.7660 meV lambda( 2 )= -0.033148 gamma= -0.001047 meV omega= 3.3343 meV lambda_tr( 2 )= -0.662266 gamma_tr= -0.020925 meV omega= 3.3343 meV lambda( 3 )= 0.248722 gamma= 0.023300 meV omega= 5.7413 meV lambda_tr( 3 )= -0.867603 gamma_tr= -0.081275 meV omega= 5.7413 meV lambda( tot )= 0.269687 lambda_tr( tot )= -1.137773 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 200 coord.: 0.83333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.075309 gamma= -0.000168 meV omega= 0.8871 meV lambda_tr( 1 )= 2.152743 gamma_tr= 0.004814 meV omega= 0.8871 meV lambda( 2 )= 0.006837 gamma= 0.000614 meV omega= 5.6224 meV lambda_tr( 2 )= -0.000821 gamma_tr= -0.000074 meV omega= 5.6224 meV lambda( 3 )= 0.031882 gamma= 0.002982 meV omega= 5.7371 meV lambda_tr( 3 )= 0.178123 gamma_tr= 0.016662 meV omega= 5.7371 meV lambda( tot )= -0.036590 lambda_tr( tot )= 2.330045 ------------------------------------------------------------------- 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= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda( 2 )= 0.128820 gamma= 0.004264 meV omega= 3.4127 meV lambda_tr( 2 )= 0.114923 gamma_tr= 0.003804 meV omega= 3.4127 meV lambda( 3 )= 0.100826 gamma= 0.016584 meV omega= 7.6077 meV lambda_tr( 3 )= 0.108253 gamma_tr= 0.017805 meV omega= 7.6077 meV lambda( tot )= 0.229646 lambda_tr( tot )= 0.223176 ------------------------------------------------------------------- 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= -3.0271 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda( 3 )= 0.012948 gamma= 0.002241 meV omega= 7.8031 meV lambda_tr( 3 )= 0.000518 gamma_tr= 0.000090 meV omega= 7.8031 meV lambda( tot )= 0.012948 lambda_tr( tot )= 0.000518 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 7.217091 gamma= 0.073254 meV omega= 1.8899 meV lambda_tr( 2 )= -29.153544 gamma_tr= -0.295910 meV omega= 1.8899 meV lambda( 3 )= 0.163496 gamma= 0.019369 meV omega= 6.4564 meV lambda_tr( 3 )= 0.852159 gamma_tr= 0.100951 meV omega= 6.4564 meV lambda( tot )= 7.380587 lambda_tr( tot )= -28.301385 ------------------------------------------------------------------- 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 )= 0.060459 gamma= 0.002083 meV omega= 3.4821 meV lambda_tr( 1 )= -0.157882 gamma_tr= -0.005440 meV omega= 3.4821 meV lambda( 2 )= 0.058802 gamma= 0.002243 meV omega= 3.6633 meV lambda_tr( 2 )= 0.289636 gamma_tr= 0.011046 meV omega= 3.6633 meV lambda( 3 )= 0.035995 gamma= 0.001934 meV omega= 4.3479 meV lambda_tr( 3 )= -0.127945 gamma_tr= -0.006874 meV omega= 4.3479 meV lambda( tot )= 0.155256 lambda_tr( tot )= 0.003809 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009337 gamma= 0.000776 meV omega= 5.4074 meV lambda_tr( 3 )= -0.034426 gamma_tr= -0.002861 meV omega= 5.4074 meV lambda( tot )= 0.009337 lambda_tr( tot )= -0.034426 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 6.062247 gamma= 0.061532 meV omega= 1.8899 meV lambda_tr( 2 )= -29.084878 gamma_tr= -0.295213 meV omega= 1.8899 meV lambda( 3 )= 0.162693 gamma= 0.019273 meV omega= 6.4564 meV lambda_tr( 3 )= 0.827759 gamma_tr= 0.098061 meV omega= 6.4564 meV lambda( tot )= 6.224940 lambda_tr( tot )= -28.257119 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ismear = 1 iq = 207 coord.: 0.83333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.133304 gamma= -0.000298 meV omega= 0.8871 meV lambda_tr( 1 )= 2.141493 gamma_tr= 0.004789 meV omega= 0.8871 meV lambda( 2 )= 0.006482 gamma= 0.000582 meV omega= 5.6224 meV lambda_tr( 2 )= -0.000769 gamma_tr= -0.000069 meV omega= 5.6224 meV lambda( 3 )= 0.030050 gamma= 0.002811 meV omega= 5.7371 meV lambda_tr( 3 )= 0.173593 gamma_tr= 0.016238 meV omega= 5.7371 meV lambda( tot )= -0.096772 lambda_tr( tot )= 2.314317 ------------------------------------------------------------------- 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= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV lambda( 2 )= 6.528399 gamma= 0.066264 meV omega= 1.8899 meV lambda_tr( 2 )= -30.013605 gamma_tr= -0.304640 meV omega= 1.8899 meV lambda( 3 )= 0.172360 gamma= 0.020419 meV omega= 6.4564 meV lambda_tr( 3 )= 0.793425 gamma_tr= 0.093993 meV omega= 6.4564 meV lambda( tot )= 6.700758 lambda_tr( tot )= -29.220180 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009830 gamma= 0.000817 meV omega= 5.4074 meV lambda_tr( 3 )= -0.034693 gamma_tr= -0.002883 meV omega= 5.4074 meV lambda( tot )= 0.009830 lambda_tr( tot )= -0.034693 ------------------------------------------------------------------- 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= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV lambda( 2 )= -2.434527 gamma= -0.038284 meV omega= 2.3523 meV lambda_tr( 2 )= -4.132415 gamma_tr= -0.064985 meV omega= 2.3523 meV lambda( 3 )= 0.226874 gamma= 0.005878 meV omega= 3.0193 meV lambda_tr( 3 )= -0.242950 gamma_tr= -0.006294 meV omega= 3.0193 meV lambda( tot )= -2.207653 lambda_tr( tot )= -4.375365 ------------------------------------------------------------------- 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= -3.2687 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.2687 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda( 3 )= 0.227132 gamma= 0.010193 meV omega= 3.9739 meV lambda_tr( 3 )= 0.078245 gamma_tr= 0.003512 meV omega= 3.9739 meV lambda( tot )= 0.227132 lambda_tr( tot )= 0.078245 ------------------------------------------------------------------- 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= -3.0769 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda( 3 )= 0.009546 gamma= 0.000793 meV omega= 5.4074 meV lambda_tr( 3 )= -0.036774 gamma_tr= -0.003056 meV omega= 5.4074 meV lambda( tot )= 0.009546 lambda_tr( tot )= -0.036774 ------------------------------------------------------------------- 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 )= -0.127066 gamma= -0.002763 meV omega= 2.7660 meV lambda_tr( 1 )= 0.090546 gamma_tr= 0.001969 meV omega= 2.7660 meV lambda( 2 )= -0.333449 gamma= -0.010535 meV omega= 3.3343 meV lambda_tr( 2 )= -0.948472 gamma_tr= -0.029967 meV omega= 3.3343 meV lambda( 3 )= 0.357827 gamma= 0.033520 meV omega= 5.7413 meV lambda_tr( 3 )= -0.784172 gamma_tr= -0.073459 meV omega= 5.7413 meV lambda( tot )= -0.102688 lambda_tr( tot )= -1.642097 ------------------------------------------------------------------- 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 )= 0.060680 gamma= 0.002091 meV omega= 3.4821 meV lambda_tr( 1 )= -0.156734 gamma_tr= -0.005401 meV omega= 3.4821 meV lambda( 2 )= 0.063242 gamma= 0.002412 meV omega= 3.6633 meV lambda_tr( 2 )= 0.296730 gamma_tr= 0.011317 meV omega= 3.6633 meV lambda( 3 )= 0.038835 gamma= 0.002086 meV omega= 4.3479 meV lambda_tr( 3 )= -0.124382 gamma_tr= -0.006682 meV omega= 4.3479 meV lambda( tot )= 0.162756 lambda_tr( tot )= 0.015614 ------------------------------------------------------------------- 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= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV lambda( 2 )= -2.523249 gamma= -0.039680 meV omega= 2.3523 meV lambda_tr( 2 )= -4.234598 gamma_tr= -0.066592 meV omega= 2.3523 meV lambda( 3 )= 0.354803 gamma= 0.009192 meV omega= 3.0193 meV lambda_tr( 3 )= -0.099371 gamma_tr= -0.002574 meV omega= 3.0193 meV lambda( tot )= -2.168446 lambda_tr( tot )= -4.333969 ------------------------------------------------------------------- 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= -1.2052 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.2052 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -1.2052 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.4924 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.4924 meV lambda( tot )= 0.000000 lambda_tr( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 Average over degenerate eigenstates is performed WARNING: only the eigenstates within the Fermi window are meaningful ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -12.1630 eV Re[Sigma]= -902.264161 meV Im[Sigma]= 0.000003 meV Z= 0.893993 lam= 0.118577 E( 2 )= -12.1630 eV Re[Sigma]= -902.264161 meV Im[Sigma]= 0.000003 meV Z= 0.893993 lam= 0.118577 E( 3 )= 4.8584 eV Re[Sigma]= 286.344150 meV Im[Sigma]= 80.127208 meV Z= 0.912954 lam= 0.095345 E( 4 )= 4.8584 eV Re[Sigma]= 286.344150 meV Im[Sigma]= 80.127208 meV Z= 0.912954 lam= 0.095345 E( 5 )= 8.2862 eV Re[Sigma]= 180.019573 meV Im[Sigma]= 0.000000 meV Z= 0.979047 lam= 0.021401 E( 6 )= 8.2862 eV Re[Sigma]= 180.019573 meV Im[Sigma]= 0.000000 meV Z= 0.979047 lam= 0.021401 E( 7 )= 8.2862 eV Re[Sigma]= 180.019573 meV Im[Sigma]= 0.000000 meV Z= 0.979047 lam= 0.021401 E( 8 )= 8.2862 eV Re[Sigma]= 180.019573 meV Im[Sigma]= 0.000000 meV Z= 0.979047 lam= 0.021401 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -11.5411 eV Re[Sigma]= -971.168359 meV Im[Sigma]= 144.018841 meV Z= 1.274287 lam= -0.215247 E( 2 )= -11.5411 eV Re[Sigma]= -971.168095 meV Im[Sigma]= 144.021674 meV Z= 1.274299 lam= -0.215255 E( 3 )= 3.4588 eV Re[Sigma]= 189.345395 meV Im[Sigma]= 302.273369 meV Z= 1.613272 lam= -0.380142 E( 4 )= 3.4589 eV Re[Sigma]= 189.114594 meV Im[Sigma]= 302.775629 meV Z= 1.616748 lam= -0.381475 E( 5 )= 6.4109 eV Re[Sigma]= 290.024667 meV Im[Sigma]= 79.141773 meV Z= 1.083144 lam= -0.076762 E( 6 )= 6.4111 eV Re[Sigma]= 290.051078 meV Im[Sigma]= 79.200271 meV Z= 1.083353 lam= -0.076939 E( 7 )= 7.7957 eV Re[Sigma]= 231.798396 meV Im[Sigma]= 13.000073 meV Z= 1.000585 lam= -0.000585 E( 8 )= 7.7982 eV Re[Sigma]= 232.232580 meV Im[Sigma]= 12.952145 meV Z= 1.000443 lam= -0.000442 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -10.0072 eV Re[Sigma]= -664.678679 meV Im[Sigma]= 1370.893672 meV Z= -1.000246 lam= -1.999754 E( 2 )= -10.0072 eV Re[Sigma]= -664.678679 meV Im[Sigma]= 1370.893672 meV Z= -1.000246 lam= -1.999754 E( 3 )= -1.9455 eV Re[Sigma]= 200.070745 meV Im[Sigma]= 213.527821 meV Z= 1.329217 lam= -0.247677 E( 4 )= -1.9455 eV Re[Sigma]= 200.070745 meV Im[Sigma]= 213.527821 meV Z= 1.329217 lam= -0.247677 E( 5 )= 4.7466 eV Re[Sigma]= 432.907690 meV Im[Sigma]= 282.945595 meV Z= 1.444230 lam= -0.307589 E( 6 )= 4.7466 eV Re[Sigma]= 432.907690 meV Im[Sigma]= 282.945595 meV Z= 1.444230 lam= -0.307589 E( 7 )= 6.7126 eV Re[Sigma]= 353.838021 meV Im[Sigma]= 101.278122 meV Z= 1.127789 lam= -0.113309 E( 8 )= 6.7126 eV Re[Sigma]= 353.838021 meV Im[Sigma]= 101.278122 meV Z= 1.127789 lam= -0.113309 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.2813 eV Re[Sigma]= -847.635988 meV Im[Sigma]= 28.889381 meV Z= 0.773421 lam= 0.292956 E( 2 )= -8.2813 eV Re[Sigma]= -847.635988 meV Im[Sigma]= 28.889381 meV Z= 0.773421 lam= 0.292956 E( 3 )= -6.0179 eV Re[Sigma]= 1571.921213 meV Im[Sigma]= 0.083482 meV Z= 0.506395 lam= 0.974741 E( 4 )= -6.0179 eV Re[Sigma]= 1571.921213 meV Im[Sigma]= 0.083482 meV Z= 0.506395 lam= 0.974741 E( 5 )= 4.2110 eV Re[Sigma]= 692.017074 meV Im[Sigma]= 1625.423621 meV Z= -0.506626 lam= -2.973843 E( 6 )= 4.2110 eV Re[Sigma]= 692.017074 meV Im[Sigma]= 1625.423621 meV Z= -0.506626 lam= -2.973843 E( 7 )= 6.1174 eV Re[Sigma]= 301.820492 meV Im[Sigma]= 24.553577 meV Z= 0.866225 lam= 0.154434 E( 8 )= 6.1174 eV Re[Sigma]= 301.820492 meV Im[Sigma]= 24.553577 meV Z= 0.866225 lam= 0.154434 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -10.0072 eV Re[Sigma]= -663.733111 meV Im[Sigma]= 1371.911625 meV Z= -0.998123 lam= -2.001880 E( 2 )= -10.0072 eV Re[Sigma]= -663.733111 meV Im[Sigma]= 1371.911625 meV Z= -0.998123 lam= -2.001880 E( 3 )= -1.9455 eV Re[Sigma]= 199.218424 meV Im[Sigma]= 208.832853 meV Z= 1.311567 lam= -0.237554 E( 4 )= -1.9455 eV Re[Sigma]= 199.218424 meV Im[Sigma]= 208.832853 meV Z= 1.311567 lam= -0.237554 E( 5 )= 4.7466 eV Re[Sigma]= 444.874131 meV Im[Sigma]= 299.266852 meV Z= 1.502479 lam= -0.334434 E( 6 )= 4.7466 eV Re[Sigma]= 444.874131 meV Im[Sigma]= 299.266852 meV Z= 1.502479 lam= -0.334434 E( 7 )= 6.7126 eV Re[Sigma]= 350.746969 meV Im[Sigma]= 102.800026 meV Z= 1.140317 lam= -0.123051 E( 8 )= 6.7126 eV Re[Sigma]= 350.746969 meV Im[Sigma]= 102.800026 meV Z= 1.140317 lam= -0.123051 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -11.5411 eV Re[Sigma]= -970.963730 meV Im[Sigma]= 143.938473 meV Z= 1.273938 lam= -0.215033 E( 2 )= -11.5411 eV Re[Sigma]= -970.968134 meV Im[Sigma]= 143.943463 meV Z= 1.273952 lam= -0.215041 E( 3 )= 3.4588 eV Re[Sigma]= 180.731441 meV Im[Sigma]= 302.126334 meV Z= 1.603341 lam= -0.376302 E( 4 )= 3.4589 eV Re[Sigma]= 180.870036 meV Im[Sigma]= 302.771322 meV Z= 1.609014 lam= -0.378501 E( 5 )= 6.4109 eV Re[Sigma]= 292.733357 meV Im[Sigma]= 76.414372 meV Z= 1.068978 lam= -0.064527 E( 6 )= 6.4111 eV Re[Sigma]= 292.848884 meV Im[Sigma]= 76.310474 meV Z= 1.068662 lam= -0.064251 E( 7 )= 7.7957 eV Re[Sigma]= 231.502602 meV Im[Sigma]= 13.130183 meV Z= 1.001399 lam= -0.001397 E( 8 )= 7.7982 eV Re[Sigma]= 232.105965 meV Im[Sigma]= 12.947647 meV Z= 1.000823 lam= -0.000822 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -11.5411 eV Re[Sigma]= -971.036936 meV Im[Sigma]= 143.989817 meV Z= 1.274163 lam= -0.215171 E( 2 )= -11.5411 eV Re[Sigma]= -971.026055 meV Im[Sigma]= 143.997396 meV Z= 1.274186 lam= -0.215185 E( 3 )= 3.4588 eV Re[Sigma]= 187.490648 meV Im[Sigma]= 282.020594 meV Z= 1.476789 lam= -0.322855 E( 4 )= 3.4589 eV Re[Sigma]= 187.350915 meV Im[Sigma]= 282.756789 meV Z= 1.481276 lam= -0.324906 E( 5 )= 6.4109 eV Re[Sigma]= 291.242372 meV Im[Sigma]= 86.085027 meV Z= 1.099211 lam= -0.090256 E( 6 )= 6.4111 eV Re[Sigma]= 291.335894 meV Im[Sigma]= 86.026522 meV Z= 1.099135 lam= -0.090193 E( 7 )= 7.7957 eV Re[Sigma]= 232.293872 meV Im[Sigma]= 14.062455 meV Z= 1.003595 lam= -0.003582 E( 8 )= 7.7982 eV Re[Sigma]= 232.909174 meV Im[Sigma]= 14.024182 meV Z= 1.003409 lam= -0.003398 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -11.3411 eV Re[Sigma]= -990.290916 meV Im[Sigma]= 128.641357 meV Z= 1.138734 lam= -0.121832 E( 2 )= -11.3411 eV Re[Sigma]= -990.290916 meV Im[Sigma]= 128.641357 meV Z= 1.138734 lam= -0.121832 E( 3 )= 3.4828 eV Re[Sigma]= 266.594219 meV Im[Sigma]= 139.477546 meV Z= 0.965582 lam= 0.035645 E( 4 )= 3.4831 eV Re[Sigma]= 266.793681 meV Im[Sigma]= 139.800337 meV Z= 0.966398 lam= 0.034770 E( 5 )= 6.1660 eV Re[Sigma]= 295.221641 meV Im[Sigma]= 14.872962 meV Z= 0.928281 lam= 0.077260 E( 6 )= 6.1662 eV Re[Sigma]= 295.230676 meV Im[Sigma]= 14.794608 meV Z= 0.928045 lam= 0.077534 E( 7 )= 6.7126 eV Re[Sigma]= 276.939659 meV Im[Sigma]= 175.967641 meV Z= 1.308737 lam= -0.235905 E( 8 )= 6.7129 eV Re[Sigma]= 277.096831 meV Im[Sigma]= 176.571041 meV Z= 1.311670 lam= -0.237613 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.983377 meV Im[Sigma]= 958.821979 meV Z= -1.373864 lam= -1.727874 E( 2 )= -10.1193 eV Re[Sigma]= -1124.441152 meV Im[Sigma]= 960.516745 meV Z= -1.357301 lam= -1.736756 E( 3 )= -0.0233 eV Re[Sigma]= 107.664084 meV Im[Sigma]= 591.368563 meV Z= -3.289719 lam= -1.303977 E( 4 )= 0.0252 eV Re[Sigma]= 175.586898 meV Im[Sigma]= 562.554765 meV Z= -17.922288 lam= -1.055796 E( 5 )= 3.8914 eV Re[Sigma]= 209.346831 meV Im[Sigma]= 482.812817 meV Z= 1.643506 lam= -0.391545 E( 6 )= 3.9450 eV Re[Sigma]= 237.947633 meV Im[Sigma]= 633.784253 meV Z= 7.937056 lam= -0.874009 E( 7 )= 5.5890 eV Re[Sigma]= 476.285821 meV Im[Sigma]= 444.471172 meV Z= 4.657479 lam= -0.785292 E( 8 )= 5.5908 eV Re[Sigma]= 478.039996 meV Im[Sigma]= 449.711389 meV Z= 4.896549 lam= -0.795775 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -788.149290 meV Im[Sigma]= 532.928273 meV Z= 4.054494 lam= -0.753360 E( 2 )= -8.2690 eV Re[Sigma]= -786.908340 meV Im[Sigma]= 533.135080 meV Z= 4.052991 lam= -0.753269 E( 3 )= -4.6268 eV Re[Sigma]= 484.919084 meV Im[Sigma]= 250.909159 meV Z= 1.382184 lam= -0.276507 E( 4 )= -4.6137 eV Re[Sigma]= 491.759244 meV Im[Sigma]= 252.009313 meV Z= 1.381376 lam= -0.276084 E( 5 )= 2.8526 eV Re[Sigma]= 271.840141 meV Im[Sigma]= 1175.821965 meV Z= 3.039651 lam= -0.671015 E( 6 )= 2.8702 eV Re[Sigma]= 331.759239 meV Im[Sigma]= 1399.415914 meV Z= -1.324767 lam= -1.754850 E( 7 )= 4.6663 eV Re[Sigma]= 446.055589 meV Im[Sigma]= 277.451625 meV Z= 1.374965 lam= -0.272709 E( 8 )= 4.6703 eV Re[Sigma]= 448.909982 meV Im[Sigma]= 279.439676 meV Z= 1.405424 lam= -0.288471 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1054.995443 meV Im[Sigma]= 1014.061548 meV Z= -2.361540 lam= -1.423452 E( 2 )= -8.9135 eV Re[Sigma]= -1054.781013 meV Im[Sigma]= 1015.745711 meV Z= -2.344273 lam= -1.426571 E( 3 )= -3.2145 eV Re[Sigma]= 568.876439 meV Im[Sigma]= 754.933146 meV Z= -29.952651 lam= -1.033386 E( 4 )= -3.1886 eV Re[Sigma]= 597.792725 meV Im[Sigma]= 688.519467 meV Z= 4.899760 lam= -0.795908 E( 5 )= 2.4955 eV Re[Sigma]= -78.852605 meV Im[Sigma]= 597.181329 meV Z= 1.122851 lam= -0.109410 E( 6 )= 2.5270 eV Re[Sigma]= -80.144849 meV Im[Sigma]= 575.911012 meV Z= 0.886307 lam= 0.128278 E( 7 )= 5.4585 eV Re[Sigma]= 304.185694 meV Im[Sigma]= 324.929417 meV Z= 1.754468 lam= -0.430027 E( 8 )= 5.4617 eV Re[Sigma]= 306.345259 meV Im[Sigma]= 327.193635 meV Z= 1.784148 lam= -0.439508 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -10.6238 eV Re[Sigma]= -1189.425774 meV Im[Sigma]= 275.445886 meV Z= 1.307858 lam= -0.235391 E( 2 )= -10.6225 eV Re[Sigma]= -1189.932684 meV Im[Sigma]= 275.844196 meV Z= 1.306447 lam= -0.234565 E( 3 )= 1.2451 eV Re[Sigma]= 225.080383 meV Im[Sigma]= 307.961000 meV Z= 1.053681 lam= -0.050946 E( 4 )= 1.3431 eV Re[Sigma]= 237.167530 meV Im[Sigma]= 266.411627 meV Z= 1.068857 lam= -0.064421 E( 5 )= 4.1064 eV Re[Sigma]= 369.222482 meV Im[Sigma]= 1123.673119 meV Z= -1.321582 lam= -1.756669 E( 6 )= 4.2181 eV Re[Sigma]= 592.815595 meV Im[Sigma]= 830.501590 meV Z= -22.276057 lam= -1.044891 E( 7 )= 6.8740 eV Re[Sigma]= 294.118121 meV Im[Sigma]= 91.243798 meV Z= 1.094866 lam= -0.086646 E( 8 )= 6.8817 eV Re[Sigma]= 293.164469 meV Im[Sigma]= 85.488580 meV Z= 1.083888 lam= -0.077395 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -10.0072 eV Re[Sigma]= -663.813024 meV Im[Sigma]= 1372.387530 meV Z= -0.997380 lam= -2.002627 E( 2 )= -10.0072 eV Re[Sigma]= -663.813024 meV Im[Sigma]= 1372.387530 meV Z= -0.997380 lam= -2.002627 E( 3 )= -1.9455 eV Re[Sigma]= 199.498842 meV Im[Sigma]= 208.358142 meV Z= 1.306238 lam= -0.234443 E( 4 )= -1.9455 eV Re[Sigma]= 199.498842 meV Im[Sigma]= 208.358142 meV Z= 1.306238 lam= -0.234443 E( 5 )= 4.7466 eV Re[Sigma]= 447.952427 meV Im[Sigma]= 298.039025 meV Z= 1.493478 lam= -0.330422 E( 6 )= 4.7466 eV Re[Sigma]= 447.952427 meV Im[Sigma]= 298.039025 meV Z= 1.493478 lam= -0.330422 E( 7 )= 6.7126 eV Re[Sigma]= 350.508314 meV Im[Sigma]= 105.677278 meV Z= 1.145334 lam= -0.126892 E( 8 )= 6.7126 eV Re[Sigma]= 350.508314 meV Im[Sigma]= 105.677278 meV Z= 1.145334 lam= -0.126892 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.320004 meV Im[Sigma]= 957.765342 meV Z= -1.378250 lam= -1.725558 E( 2 )= -10.1193 eV Re[Sigma]= -1123.815230 meV Im[Sigma]= 959.535586 meV Z= -1.361266 lam= -1.734610 E( 3 )= -0.0233 eV Re[Sigma]= 102.484943 meV Im[Sigma]= 592.132841 meV Z= -3.336714 lam= -1.299696 E( 4 )= 0.0252 eV Re[Sigma]= 173.200077 meV Im[Sigma]= 563.227611 meV Z= -19.225471 lam= -1.052014 E( 5 )= 3.8914 eV Re[Sigma]= 198.777115 meV Im[Sigma]= 482.916958 meV Z= 1.652146 lam= -0.394727 E( 6 )= 3.9450 eV Re[Sigma]= 229.890011 meV Im[Sigma]= 630.631536 meV Z= 9.060627 lam= -0.889632 E( 7 )= 5.5890 eV Re[Sigma]= 477.733131 meV Im[Sigma]= 454.556926 meV Z= 5.488477 lam= -0.817800 E( 8 )= 5.5908 eV Re[Sigma]= 479.856837 meV Im[Sigma]= 460.125325 meV Z= 5.843256 lam= -0.828863 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -9.2916 eV Re[Sigma]= -1209.937130 meV Im[Sigma]= 264.835591 meV Z= 0.605949 lam= 0.650304 E( 2 )= -9.2916 eV Re[Sigma]= -1209.937130 meV Im[Sigma]= 264.835591 meV Z= 0.605949 lam= 0.650304 E( 3 )= -0.6078 eV Re[Sigma]= 100.374520 meV Im[Sigma]= 98.041144 meV Z= 0.912827 lam= 0.095498 E( 4 )= -0.6078 eV Re[Sigma]= 100.374520 meV Im[Sigma]= 98.041144 meV Z= 0.912827 lam= 0.095498 E( 5 )= 2.2063 eV Re[Sigma]= 85.286855 meV Im[Sigma]= 156.625370 meV Z= 0.805585 lam= 0.241335 E( 6 )= 2.2063 eV Re[Sigma]= 85.286855 meV Im[Sigma]= 156.625370 meV Z= 0.805585 lam= 0.241335 E( 7 )= 3.4267 eV Re[Sigma]= 241.953442 meV Im[Sigma]= 182.187272 meV Z= 0.980205 lam= 0.020195 E( 8 )= 3.4267 eV Re[Sigma]= 241.953442 meV Im[Sigma]= 182.187272 meV Z= 0.980205 lam= 0.020195 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -736.035792 meV Im[Sigma]= 1013.236328 meV Z= -3.581376 lam= -1.279222 E( 2 )= -7.6743 eV Re[Sigma]= -734.576465 meV Im[Sigma]= 1014.698027 meV Z= -3.549524 lam= -1.281728 E( 3 )= -3.2961 eV Re[Sigma]= 320.198896 meV Im[Sigma]= 529.156614 meV Z= 2.768192 lam= -0.638753 E( 4 )= -3.2764 eV Re[Sigma]= 342.093636 meV Im[Sigma]= 554.987569 meV Z= 6.227630 lam= -0.839425 E( 5 )= 0.5424 eV Re[Sigma]= 168.862796 meV Im[Sigma]= 379.180740 meV Z= 1.985881 lam= -0.496445 E( 6 )= 0.5642 eV Re[Sigma]= 186.853811 meV Im[Sigma]= 379.675568 meV Z= 1.947651 lam= -0.486561 E( 7 )= 2.3784 eV Re[Sigma]= -71.360717 meV Im[Sigma]= 521.805706 meV Z= 2.071725 lam= -0.517311 E( 8 )= 2.3802 eV Re[Sigma]= -68.142248 meV Im[Sigma]= 524.813179 meV Z= 2.117806 lam= -0.527813 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.4030 eV Re[Sigma]= -368.161235 meV Im[Sigma]= 890.158397 meV Z= 3.019631 lam= -0.668834 E( 2 )= -7.4030 eV Re[Sigma]= -368.161235 meV Im[Sigma]= 890.158397 meV Z= 3.019631 lam= -0.668834 E( 3 )= -2.5926 eV Re[Sigma]= 386.844464 meV Im[Sigma]= 100.033702 meV Z= 0.746510 lam= 0.339566 E( 4 )= -2.5926 eV Re[Sigma]= 386.844464 meV Im[Sigma]= 100.033702 meV Z= 0.746510 lam= 0.339566 E( 5 )= -1.5227 eV Re[Sigma]= 476.847119 meV Im[Sigma]= 161.873662 meV Z= 0.818225 lam= 0.222158 E( 6 )= -1.5227 eV Re[Sigma]= 476.847119 meV Im[Sigma]= 161.873662 meV Z= 0.818225 lam= 0.222158 E( 7 )= 3.4954 eV Re[Sigma]= 564.878878 meV Im[Sigma]= 459.382711 meV Z= 1.661316 lam= -0.398067 E( 8 )= 3.4954 eV Re[Sigma]= 564.878878 meV Im[Sigma]= 459.382711 meV Z= 1.661316 lam= -0.398067 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.662362 meV Im[Sigma]= 1015.683732 meV Z= -2.344614 lam= -1.426509 E( 2 )= -8.9135 eV Re[Sigma]= -1055.447730 meV Im[Sigma]= 1017.379101 meV Z= -2.327495 lam= -1.429646 E( 3 )= -3.2145 eV Re[Sigma]= 567.963980 meV Im[Sigma]= 752.147487 meV Z= -34.345688 lam= -1.029116 E( 4 )= -3.1886 eV Re[Sigma]= 597.337757 meV Im[Sigma]= 686.096532 meV Z= 4.785339 lam= -0.791028 E( 5 )= 2.4955 eV Re[Sigma]= -81.650242 meV Im[Sigma]= 598.062441 meV Z= 1.112956 lam= -0.101492 E( 6 )= 2.5270 eV Re[Sigma]= -82.767839 meV Im[Sigma]= 578.562981 meV Z= 0.883438 lam= 0.131941 E( 7 )= 5.4585 eV Re[Sigma]= 304.243737 meV Im[Sigma]= 313.114822 meV Z= 1.698887 lam= -0.411379 E( 8 )= 5.4617 eV Re[Sigma]= 306.235765 meV Im[Sigma]= 315.201574 meV Z= 1.725016 lam= -0.420295 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -8.2813 eV Re[Sigma]= -847.650452 meV Im[Sigma]= 28.917035 meV Z= 0.773332 lam= 0.293105 E( 2 )= -8.2813 eV Re[Sigma]= -847.650452 meV Im[Sigma]= 28.917035 meV Z= 0.773332 lam= 0.293105 E( 3 )= -6.0179 eV Re[Sigma]= 1571.248649 meV Im[Sigma]= 0.076872 meV Z= 0.506508 lam= 0.974301 E( 4 )= -6.0179 eV Re[Sigma]= 1571.248649 meV Im[Sigma]= 0.076872 meV Z= 0.506508 lam= 0.974301 E( 5 )= 4.2110 eV Re[Sigma]= 689.492753 meV Im[Sigma]= 1622.037022 meV Z= -0.507499 lam= -2.970447 E( 6 )= 4.2110 eV Re[Sigma]= 689.492753 meV Im[Sigma]= 1622.037022 meV Z= -0.507499 lam= -2.970447 E( 7 )= 6.1174 eV Re[Sigma]= 302.373315 meV Im[Sigma]= 24.462963 meV Z= 0.867015 lam= 0.153383 E( 8 )= 6.1174 eV Re[Sigma]= 302.373315 meV Im[Sigma]= 24.462963 meV Z= 0.867015 lam= 0.153383 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -788.462542 meV Im[Sigma]= 532.169655 meV Z= 4.034542 lam= -0.752140 E( 2 )= -8.2690 eV Re[Sigma]= -787.231769 meV Im[Sigma]= 532.254548 meV Z= 4.028248 lam= -0.751753 E( 3 )= -4.6268 eV Re[Sigma]= 484.132074 meV Im[Sigma]= 250.344654 meV Z= 1.380075 lam= -0.275402 E( 4 )= -4.6137 eV Re[Sigma]= 490.992093 meV Im[Sigma]= 251.253319 meV Z= 1.378248 lam= -0.274441 E( 5 )= 2.8526 eV Re[Sigma]= 225.405887 meV Im[Sigma]= 1175.077879 meV Z= 3.199658 lam= -0.687467 E( 6 )= 2.8702 eV Re[Sigma]= 288.874756 meV Im[Sigma]= 1409.386922 meV Z= -1.235661 lam= -1.809284 E( 7 )= 4.6663 eV Re[Sigma]= 445.690152 meV Im[Sigma]= 284.004483 meV Z= 1.410909 lam= -0.291237 E( 8 )= 4.6703 eV Re[Sigma]= 447.943218 meV Im[Sigma]= 286.725596 meV Z= 1.446152 lam= -0.308510 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -734.835013 meV Im[Sigma]= 1010.968936 meV Z= -3.614226 lam= -1.276684 E( 2 )= -7.6743 eV Re[Sigma]= -733.458586 meV Im[Sigma]= 1012.495837 meV Z= -3.580610 lam= -1.279282 E( 3 )= -3.2961 eV Re[Sigma]= 320.436801 meV Im[Sigma]= 528.430380 meV Z= 2.684534 lam= -0.627496 E( 4 )= -3.2764 eV Re[Sigma]= 342.598322 meV Im[Sigma]= 553.166581 meV Z= 5.797498 lam= -0.827512 E( 5 )= 0.5424 eV Re[Sigma]= 168.144141 meV Im[Sigma]= 385.604428 meV Z= 2.047710 lam= -0.511650 E( 6 )= 0.5642 eV Re[Sigma]= 187.411672 meV Im[Sigma]= 385.958695 meV Z= 2.010619 lam= -0.502641 E( 7 )= 2.3784 eV Re[Sigma]= -67.132724 meV Im[Sigma]= 517.100992 meV Z= 2.042477 lam= -0.510398 E( 8 )= 2.3802 eV Re[Sigma]= -64.809446 meV Im[Sigma]= 520.496573 meV Z= 2.089411 lam= -0.521396 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -6.6812 eV Re[Sigma]= -672.388088 meV Im[Sigma]= 0.821194 meV Z= 0.767700 lam= 0.302591 E( 2 )= -6.6812 eV Re[Sigma]= -672.388088 meV Im[Sigma]= 0.821194 meV Z= 0.767700 lam= 0.302591 E( 3 )= -4.8809 eV Re[Sigma]= 993.232561 meV Im[Sigma]= 47.305181 meV Z= 0.649965 lam= 0.538545 E( 4 )= -4.8809 eV Re[Sigma]= 993.232561 meV Im[Sigma]= 47.305181 meV Z= 0.649965 lam= 0.538545 E( 5 )= 0.5426 eV Re[Sigma]= 314.348547 meV Im[Sigma]= 14.576081 meV Z= 0.633124 lam= 0.579469 E( 6 )= 0.5426 eV Re[Sigma]= 314.348547 meV Im[Sigma]= 14.576081 meV Z= 0.633124 lam= 0.579469 E( 7 )= 1.7131 eV Re[Sigma]= 321.755662 meV Im[Sigma]= 10.740247 meV Z= 0.776692 lam= 0.287512 E( 8 )= 1.7131 eV Re[Sigma]= 321.755662 meV Im[Sigma]= 10.740247 meV Z= 0.776692 lam= 0.287512 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -735.426035 meV Im[Sigma]= 1013.411490 meV Z= -3.563693 lam= -1.280608 E( 2 )= -7.6743 eV Re[Sigma]= -733.994967 meV Im[Sigma]= 1014.898672 meV Z= -3.531729 lam= -1.283147 E( 3 )= -3.2961 eV Re[Sigma]= 319.430677 meV Im[Sigma]= 531.592333 meV Z= 2.813877 lam= -0.644618 E( 4 )= -3.2764 eV Re[Sigma]= 341.284849 meV Im[Sigma]= 556.888139 meV Z= 6.462103 lam= -0.845252 E( 5 )= 0.5424 eV Re[Sigma]= 169.401883 meV Im[Sigma]= 378.489738 meV Z= 1.986396 lam= -0.496576 E( 6 )= 0.5642 eV Re[Sigma]= 187.135681 meV Im[Sigma]= 379.161953 meV Z= 1.948759 lam= -0.486853 E( 7 )= 2.3784 eV Re[Sigma]= -69.842376 meV Im[Sigma]= 527.290931 meV Z= 2.150951 lam= -0.535089 E( 8 )= 2.3802 eV Re[Sigma]= -67.112075 meV Im[Sigma]= 529.788746 meV Z= 2.185575 lam= -0.542455 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -787.971616 meV Im[Sigma]= 531.826986 meV Z= 4.007134 lam= -0.750445 E( 2 )= -8.2690 eV Re[Sigma]= -786.734158 meV Im[Sigma]= 531.982773 meV Z= 4.002923 lam= -0.750183 E( 3 )= -4.6268 eV Re[Sigma]= 483.749223 meV Im[Sigma]= 252.860915 meV Z= 1.390256 lam= -0.280708 E( 4 )= -4.6137 eV Re[Sigma]= 490.609336 meV Im[Sigma]= 253.771907 meV Z= 1.388332 lam= -0.279711 E( 5 )= 2.8526 eV Re[Sigma]= 266.589343 meV Im[Sigma]= 1183.664948 meV Z= 3.277463 lam= -0.694886 E( 6 )= 2.8702 eV Re[Sigma]= 327.472790 meV Im[Sigma]= 1408.752904 meV Z= -1.275487 lam= -1.784014 E( 7 )= 4.6663 eV Re[Sigma]= 448.114057 meV Im[Sigma]= 266.983427 meV Z= 1.328094 lam= -0.247041 E( 8 )= 4.6703 eV Re[Sigma]= 450.789060 meV Im[Sigma]= 268.998798 meV Z= 1.355335 lam= -0.262175 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -10.0072 eV Re[Sigma]= -664.384212 meV Im[Sigma]= 1372.282629 meV Z= -0.997738 lam= -2.002267 E( 2 )= -10.0072 eV Re[Sigma]= -664.384212 meV Im[Sigma]= 1372.282629 meV Z= -0.997738 lam= -2.002267 E( 3 )= -1.9455 eV Re[Sigma]= 200.107121 meV Im[Sigma]= 210.942204 meV Z= 1.309812 lam= -0.236532 E( 4 )= -1.9455 eV Re[Sigma]= 200.107121 meV Im[Sigma]= 210.942204 meV Z= 1.309812 lam= -0.236532 E( 5 )= 4.7466 eV Re[Sigma]= 436.572738 meV Im[Sigma]= 289.328133 meV Z= 1.471536 lam= -0.320438 E( 6 )= 4.7466 eV Re[Sigma]= 436.572738 meV Im[Sigma]= 289.328133 meV Z= 1.471536 lam= -0.320438 E( 7 )= 6.7126 eV Re[Sigma]= 354.977115 meV Im[Sigma]= 105.044237 meV Z= 1.137167 lam= -0.120622 E( 8 )= 6.7126 eV Re[Sigma]= 354.977115 meV Im[Sigma]= 105.044237 meV Z= 1.137167 lam= -0.120622 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.750656 meV Im[Sigma]= 1015.662706 meV Z= -2.352974 lam= -1.424994 E( 2 )= -8.9135 eV Re[Sigma]= -1055.542962 meV Im[Sigma]= 1017.303003 meV Z= -2.336155 lam= -1.428054 E( 3 )= -3.2145 eV Re[Sigma]= 571.374944 meV Im[Sigma]= 753.088583 meV Z= -35.196119 lam= -1.028412 E( 4 )= -3.1886 eV Re[Sigma]= 600.008570 meV Im[Sigma]= 687.147970 meV Z= 4.850624 lam= -0.793841 E( 5 )= 2.4955 eV Re[Sigma]= -79.725121 meV Im[Sigma]= 587.657452 meV Z= 1.111886 lam= -0.100627 E( 6 )= 2.5270 eV Re[Sigma]= -80.783709 meV Im[Sigma]= 568.400212 meV Z= 0.884804 lam= 0.130193 E( 7 )= 5.4585 eV Re[Sigma]= 305.771141 meV Im[Sigma]= 327.849981 meV Z= 1.797784 lam= -0.443760 E( 8 )= 5.4617 eV Re[Sigma]= 307.531627 meV Im[Sigma]= 330.022653 meV Z= 1.826433 lam= -0.452485 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.4030 eV Re[Sigma]= -368.420426 meV Im[Sigma]= 891.281996 meV Z= 3.043454 lam= -0.671426 E( 2 )= -7.4030 eV Re[Sigma]= -368.420426 meV Im[Sigma]= 891.281996 meV Z= 3.043454 lam= -0.671426 E( 3 )= -2.5926 eV Re[Sigma]= 405.887695 meV Im[Sigma]= 98.474558 meV Z= 0.732876 lam= 0.364487 E( 4 )= -2.5926 eV Re[Sigma]= 405.887695 meV Im[Sigma]= 98.474558 meV Z= 0.732876 lam= 0.364487 E( 5 )= -1.5227 eV Re[Sigma]= 461.844221 meV Im[Sigma]= 160.155026 meV Z= 0.821242 lam= 0.217668 E( 6 )= -1.5227 eV Re[Sigma]= 461.844221 meV Im[Sigma]= 160.155026 meV Z= 0.821242 lam= 0.217668 E( 7 )= 3.4954 eV Re[Sigma]= 589.580940 meV Im[Sigma]= 494.606712 meV Z= 1.933022 lam= -0.482675 E( 8 )= 3.4954 eV Re[Sigma]= 589.580940 meV Im[Sigma]= 494.606712 meV Z= 1.933022 lam= -0.482675 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -735.020223 meV Im[Sigma]= 1013.398512 meV Z= -3.540715 lam= -1.282429 E( 2 )= -7.6743 eV Re[Sigma]= -733.609115 meV Im[Sigma]= 1014.863213 meV Z= -3.509896 lam= -1.284909 E( 3 )= -3.2961 eV Re[Sigma]= 319.606567 meV Im[Sigma]= 533.801216 meV Z= 2.769625 lam= -0.638940 E( 4 )= -3.2764 eV Re[Sigma]= 342.242272 meV Im[Sigma]= 559.192149 meV Z= 6.315812 lam= -0.841667 E( 5 )= 0.5424 eV Re[Sigma]= 166.950999 meV Im[Sigma]= 383.525893 meV Z= 2.019605 lam= -0.504854 E( 6 )= 0.5642 eV Re[Sigma]= 185.822884 meV Im[Sigma]= 383.975959 meV Z= 1.985603 lam= -0.496375 E( 7 )= 2.3784 eV Re[Sigma]= -69.119064 meV Im[Sigma]= 524.265585 meV Z= 2.151238 lam= -0.535151 E( 8 )= 2.3802 eV Re[Sigma]= -66.530330 meV Im[Sigma]= 526.883814 meV Z= 2.193375 lam= -0.544082 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -9.2916 eV Re[Sigma]= -1209.246660 meV Im[Sigma]= 264.897196 meV Z= 0.606052 lam= 0.650022 E( 2 )= -9.2916 eV Re[Sigma]= -1209.246660 meV Im[Sigma]= 264.897196 meV Z= 0.606052 lam= 0.650022 E( 3 )= -0.6078 eV Re[Sigma]= 101.589113 meV Im[Sigma]= 94.017979 meV Z= 0.910143 lam= 0.098728 E( 4 )= -0.6078 eV Re[Sigma]= 101.589113 meV Im[Sigma]= 94.017979 meV Z= 0.910143 lam= 0.098728 E( 5 )= 2.2063 eV Re[Sigma]= 84.771186 meV Im[Sigma]= 156.308353 meV Z= 0.805585 lam= 0.241333 E( 6 )= 2.2063 eV Re[Sigma]= 84.771186 meV Im[Sigma]= 156.308353 meV Z= 0.805585 lam= 0.241333 E( 7 )= 3.4267 eV Re[Sigma]= 242.194569 meV Im[Sigma]= 192.797497 meV Z= 1.004941 lam= -0.004917 E( 8 )= 3.4267 eV Re[Sigma]= 242.194569 meV Im[Sigma]= 192.797497 meV Z= 1.004941 lam= -0.004917 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.720305 meV Im[Sigma]= 959.427823 meV Z= -1.371422 lam= -1.729170 E( 2 )= -10.1193 eV Re[Sigma]= -1124.186819 meV Im[Sigma]= 961.217328 meV Z= -1.354493 lam= -1.738284 E( 3 )= -0.0233 eV Re[Sigma]= 106.767657 meV Im[Sigma]= 586.934085 meV Z= -3.458037 lam= -1.289181 E( 4 )= 0.0252 eV Re[Sigma]= 175.137047 meV Im[Sigma]= 557.814764 meV Z= -24.436711 lam= -1.040922 E( 5 )= 3.8914 eV Re[Sigma]= 204.512497 meV Im[Sigma]= 501.397779 meV Z= 1.742982 lam= -0.426271 E( 6 )= 3.9450 eV Re[Sigma]= 234.724884 meV Im[Sigma]= 654.958156 meV Z= 12.730514 lam= -0.921449 E( 7 )= 5.5890 eV Re[Sigma]= 479.792100 meV Im[Sigma]= 442.365979 meV Z= 4.471817 lam= -0.776377 E( 8 )= 5.5908 eV Re[Sigma]= 481.509487 meV Im[Sigma]= 447.218538 meV Z= 4.662926 lam= -0.785542 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -11.5411 eV Re[Sigma]= -971.252287 meV Im[Sigma]= 144.003667 meV Z= 1.274148 lam= -0.215162 E( 2 )= -11.5411 eV Re[Sigma]= -971.247550 meV Im[Sigma]= 144.010387 meV Z= 1.274173 lam= -0.215177 E( 3 )= 3.4588 eV Re[Sigma]= 189.201671 meV Im[Sigma]= 303.397374 meV Z= 1.611401 lam= -0.379422 E( 4 )= 3.4589 eV Re[Sigma]= 189.274937 meV Im[Sigma]= 304.039224 meV Z= 1.616957 lam= -0.381554 E( 5 )= 6.4109 eV Re[Sigma]= 289.406110 meV Im[Sigma]= 85.975425 meV Z= 1.100897 lam= -0.091650 E( 6 )= 6.4111 eV Re[Sigma]= 289.549325 meV Im[Sigma]= 85.976532 meV Z= 1.100885 lam= -0.091640 E( 7 )= 7.7957 eV Re[Sigma]= 231.269893 meV Im[Sigma]= 12.659395 meV Z= 0.999793 lam= 0.000207 E( 8 )= 7.7982 eV Re[Sigma]= 231.677262 meV Im[Sigma]= 12.577276 meV Z= 0.999572 lam= 0.000428 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -10.6238 eV Re[Sigma]= -1189.193155 meV Im[Sigma]= 275.361623 meV Z= 1.308883 lam= -0.235990 E( 2 )= -10.6225 eV Re[Sigma]= -1189.709141 meV Im[Sigma]= 275.732568 meV Z= 1.307302 lam= -0.235066 E( 3 )= 1.2451 eV Re[Sigma]= 243.268168 meV Im[Sigma]= 311.113009 meV Z= 1.049289 lam= -0.046974 E( 4 )= 1.3431 eV Re[Sigma]= 255.446878 meV Im[Sigma]= 265.012011 meV Z= 1.051214 lam= -0.048719 E( 5 )= 4.1064 eV Re[Sigma]= 370.013043 meV Im[Sigma]= 1130.341085 meV Z= -1.283650 lam= -1.779029 E( 6 )= 4.2181 eV Re[Sigma]= 595.446640 meV Im[Sigma]= 845.242717 meV Z= -8.707859 lam= -1.114839 E( 7 )= 6.8740 eV Re[Sigma]= 296.802215 meV Im[Sigma]= 91.740631 meV Z= 1.100337 lam= -0.091188 E( 8 )= 6.8817 eV Re[Sigma]= 296.445096 meV Im[Sigma]= 86.501563 meV Z= 1.090417 lam= -0.082919 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.946002 meV Im[Sigma]= 1016.305535 meV Z= -2.345405 lam= -1.426366 E( 2 )= -8.9135 eV Re[Sigma]= -1055.751763 meV Im[Sigma]= 1017.979450 meV Z= -2.328359 lam= -1.429487 E( 3 )= -3.2145 eV Re[Sigma]= 569.991310 meV Im[Sigma]= 756.562189 meV Z= -25.843915 lam= -1.038694 E( 4 )= -3.1886 eV Re[Sigma]= 598.735678 meV Im[Sigma]= 689.364252 meV Z= 4.964704 lam= -0.798578 E( 5 )= 2.4955 eV Re[Sigma]= -82.002788 meV Im[Sigma]= 589.091585 meV Z= 1.118133 lam= -0.105652 E( 6 )= 2.5270 eV Re[Sigma]= -82.907483 meV Im[Sigma]= 569.390698 meV Z= 0.888649 lam= 0.125303 E( 7 )= 5.4585 eV Re[Sigma]= 307.596415 meV Im[Sigma]= 319.595960 meV Z= 1.762897 lam= -0.432752 E( 8 )= 5.4617 eV Re[Sigma]= 309.348851 meV Im[Sigma]= 321.419206 meV Z= 1.787804 lam= -0.440654 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -788.733422 meV Im[Sigma]= 531.701225 meV Z= 4.009570 lam= -0.750597 E( 2 )= -8.2690 eV Re[Sigma]= -787.523873 meV Im[Sigma]= 531.830215 meV Z= 4.005659 lam= -0.750353 E( 3 )= -4.6268 eV Re[Sigma]= 485.549804 meV Im[Sigma]= 249.811433 meV Z= 1.378321 lam= -0.274479 E( 4 )= -4.6137 eV Re[Sigma]= 492.420180 meV Im[Sigma]= 250.746994 meV Z= 1.376749 lam= -0.273651 E( 5 )= 2.8526 eV Re[Sigma]= 221.851714 meV Im[Sigma]= 1180.830659 meV Z= 3.325202 lam= -0.699266 E( 6 )= 2.8702 eV Re[Sigma]= 286.240150 meV Im[Sigma]= 1415.164272 meV Z= -1.215697 lam= -1.822573 E( 7 )= 4.6663 eV Re[Sigma]= 444.095062 meV Im[Sigma]= 273.945097 meV Z= 1.351282 lam= -0.259962 E( 8 )= 4.6703 eV Re[Sigma]= 446.274483 meV Im[Sigma]= 276.036667 meV Z= 1.382130 lam= -0.276479 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.391329 meV Im[Sigma]= 958.255346 meV Z= -1.376698 lam= -1.726376 E( 2 )= -10.1193 eV Re[Sigma]= -1123.890792 meV Im[Sigma]= 959.894367 meV Z= -1.360299 lam= -1.735133 E( 3 )= -0.0233 eV Re[Sigma]= 101.666667 meV Im[Sigma]= 584.010835 meV Z= -3.585661 lam= -1.278889 E( 4 )= 0.0252 eV Re[Sigma]= 170.159295 meV Im[Sigma]= 556.304645 meV Z= -24.490546 lam= -1.040832 E( 5 )= 3.8914 eV Re[Sigma]= 199.031272 meV Im[Sigma]= 497.398346 meV Z= 1.753758 lam= -0.429796 E( 6 )= 3.9450 eV Re[Sigma]= 231.662727 meV Im[Sigma]= 644.416175 meV Z= 13.337872 lam= -0.925026 E( 7 )= 5.5890 eV Re[Sigma]= 481.391559 meV Im[Sigma]= 443.995286 meV Z= 4.708966 lam= -0.787639 E( 8 )= 5.5908 eV Re[Sigma]= 483.529459 meV Im[Sigma]= 448.812014 meV Z= 4.925712 lam= -0.796984 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -11.3411 eV Re[Sigma]= -990.316923 meV Im[Sigma]= 128.723897 meV Z= 1.139064 lam= -0.122086 E( 2 )= -11.3411 eV Re[Sigma]= -990.316923 meV Im[Sigma]= 128.723897 meV Z= 1.139064 lam= -0.122086 E( 3 )= 3.4828 eV Re[Sigma]= 261.153179 meV Im[Sigma]= 152.581722 meV Z= 0.998137 lam= 0.001867 E( 4 )= 3.4831 eV Re[Sigma]= 261.142684 meV Im[Sigma]= 152.435751 meV Z= 0.997507 lam= 0.002499 E( 5 )= 6.1660 eV Re[Sigma]= 296.561882 meV Im[Sigma]= 14.597598 meV Z= 0.927934 lam= 0.077663 E( 6 )= 6.1662 eV Re[Sigma]= 296.445961 meV Im[Sigma]= 14.445493 meV Z= 0.927636 lam= 0.078009 E( 7 )= 6.7126 eV Re[Sigma]= 280.037849 meV Im[Sigma]= 163.679315 meV Z= 1.280074 lam= -0.218795 E( 8 )= 6.7129 eV Re[Sigma]= 280.175800 meV Im[Sigma]= 163.910315 meV Z= 1.281230 lam= -0.219500 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -11.5411 eV Re[Sigma]= -971.049517 meV Im[Sigma]= 144.025699 meV Z= 1.274307 lam= -0.215260 E( 2 )= -11.5411 eV Re[Sigma]= -971.036191 meV Im[Sigma]= 144.029874 meV Z= 1.274317 lam= -0.215266 E( 3 )= 3.4588 eV Re[Sigma]= 185.875478 meV Im[Sigma]= 297.392605 meV Z= 1.568303 lam= -0.362368 E( 4 )= 3.4589 eV Re[Sigma]= 185.745884 meV Im[Sigma]= 297.465900 meV Z= 1.568271 lam= -0.362355 E( 5 )= 6.4109 eV Re[Sigma]= 290.055101 meV Im[Sigma]= 82.078372 meV Z= 1.090432 lam= -0.082932 E( 6 )= 6.4111 eV Re[Sigma]= 290.049129 meV Im[Sigma]= 82.101548 meV Z= 1.090590 lam= -0.083065 E( 7 )= 7.7957 eV Re[Sigma]= 231.369898 meV Im[Sigma]= 13.725669 meV Z= 1.002857 lam= -0.002849 E( 8 )= 7.7982 eV Re[Sigma]= 231.795522 meV Im[Sigma]= 13.639131 meV Z= 1.002608 lam= -0.002601 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -11.3411 eV Re[Sigma]= -990.294686 meV Im[Sigma]= 128.651864 meV Z= 1.138764 lam= -0.121855 E( 2 )= -11.3411 eV Re[Sigma]= -990.294686 meV Im[Sigma]= 128.651864 meV Z= 1.138764 lam= -0.121855 E( 3 )= 3.4828 eV Re[Sigma]= 269.645207 meV Im[Sigma]= 143.650939 meV Z= 0.973095 lam= 0.027649 E( 4 )= 3.4831 eV Re[Sigma]= 269.910620 meV Im[Sigma]= 143.660379 meV Z= 0.972437 lam= 0.028345 E( 5 )= 6.1660 eV Re[Sigma]= 294.348871 meV Im[Sigma]= 15.443270 meV Z= 0.927958 lam= 0.077635 E( 6 )= 6.1662 eV Re[Sigma]= 294.339774 meV Im[Sigma]= 15.494132 meV Z= 0.927870 lam= 0.077737 E( 7 )= 6.7126 eV Re[Sigma]= 279.197055 meV Im[Sigma]= 168.737907 meV Z= 1.294447 lam= -0.227469 E( 8 )= 6.7129 eV Re[Sigma]= 279.344544 meV Im[Sigma]= 169.131746 meV Z= 1.296028 lam= -0.228412 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.772600 meV Im[Sigma]= 958.243923 meV Z= -1.375968 lam= -1.726761 E( 2 )= -10.1193 eV Re[Sigma]= -1124.267372 meV Im[Sigma]= 959.916725 meV Z= -1.359372 lam= -1.735634 E( 3 )= -0.0233 eV Re[Sigma]= 100.982187 meV Im[Sigma]= 589.713055 meV Z= -3.471339 lam= -1.288073 E( 4 )= 0.0252 eV Re[Sigma]= 169.402450 meV Im[Sigma]= 561.005790 meV Z= -23.204033 lam= -1.043096 E( 5 )= 3.8914 eV Re[Sigma]= 202.136166 meV Im[Sigma]= 481.389291 meV Z= 1.616333 lam= -0.381316 E( 6 )= 3.9450 eV Re[Sigma]= 231.386047 meV Im[Sigma]= 633.747395 meV Z= 8.599520 lam= -0.883714 E( 7 )= 5.5890 eV Re[Sigma]= 477.046776 meV Im[Sigma]= 456.187657 meV Z= 5.258538 lam= -0.809833 E( 8 )= 5.5908 eV Re[Sigma]= 479.066085 meV Im[Sigma]= 460.936544 meV Z= 5.538298 lam= -0.819439 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -788.484672 meV Im[Sigma]= 532.221327 meV Z= 4.023135 lam= -0.751438 E( 2 )= -8.2690 eV Re[Sigma]= -787.275134 meV Im[Sigma]= 532.424472 meV Z= 4.021386 lam= -0.751330 E( 3 )= -4.6268 eV Re[Sigma]= 484.131239 meV Im[Sigma]= 251.455056 meV Z= 1.384329 lam= -0.277628 E( 4 )= -4.6137 eV Re[Sigma]= 490.805698 meV Im[Sigma]= 252.631594 meV Z= 1.383798 lam= -0.277351 E( 5 )= 2.8526 eV Re[Sigma]= 256.670010 meV Im[Sigma]= 1177.710642 meV Z= 2.921666 lam= -0.657730 E( 6 )= 2.8702 eV Re[Sigma]= 319.121480 meV Im[Sigma]= 1409.874857 meV Z= -1.292263 lam= -1.773836 E( 7 )= 4.6663 eV Re[Sigma]= 445.553994 meV Im[Sigma]= 278.751416 meV Z= 1.380110 lam= -0.275420 E( 8 )= 4.6703 eV Re[Sigma]= 448.564394 meV Im[Sigma]= 280.766722 meV Z= 1.410550 lam= -0.291057 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.298825 meV Im[Sigma]= 1015.570496 meV Z= -2.349651 lam= -1.425595 E( 2 )= -8.9135 eV Re[Sigma]= -1055.033467 meV Im[Sigma]= 1017.184327 meV Z= -2.333520 lam= -1.428537 E( 3 )= -3.2145 eV Re[Sigma]= 568.997810 meV Im[Sigma]= 751.399337 meV Z= -41.786072 lam= -1.023931 E( 4 )= -3.1886 eV Re[Sigma]= 597.824966 meV Im[Sigma]= 684.793331 meV Z= 4.673803 lam= -0.786041 E( 5 )= 2.4955 eV Re[Sigma]= -98.561267 meV Im[Sigma]= 596.546749 meV Z= 1.093347 lam= -0.085377 E( 6 )= 2.5270 eV Re[Sigma]= -100.466231 meV Im[Sigma]= 577.425685 meV Z= 0.869020 lam= 0.150721 E( 7 )= 5.4585 eV Re[Sigma]= 304.820677 meV Im[Sigma]= 321.344743 meV Z= 1.752717 lam= -0.429457 E( 8 )= 5.4617 eV Re[Sigma]= 306.513564 meV Im[Sigma]= 323.885780 meV Z= 1.784041 lam= -0.439475 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -10.6238 eV Re[Sigma]= -1189.516439 meV Im[Sigma]= 275.325473 meV Z= 1.307502 lam= -0.235183 E( 2 )= -10.6225 eV Re[Sigma]= -1189.935024 meV Im[Sigma]= 275.704817 meV Z= 1.306055 lam= -0.234336 E( 3 )= 1.2451 eV Re[Sigma]= 229.575764 meV Im[Sigma]= 314.596229 meV Z= 1.064834 lam= -0.060887 E( 4 )= 1.3431 eV Re[Sigma]= 243.172050 meV Im[Sigma]= 271.617332 meV Z= 1.076699 lam= -0.071236 E( 5 )= 4.1064 eV Re[Sigma]= 366.089221 meV Im[Sigma]= 1149.208680 meV Z= -1.227608 lam= -1.814592 E( 6 )= 4.2181 eV Re[Sigma]= 598.257411 meV Im[Sigma]= 871.266659 meV Z= -5.717087 lam= -1.174914 E( 7 )= 6.8740 eV Re[Sigma]= 294.158680 meV Im[Sigma]= 89.955799 meV Z= 1.093567 lam= -0.085562 E( 8 )= 6.8817 eV Re[Sigma]= 293.530970 meV Im[Sigma]= 84.862780 meV Z= 1.083874 lam= -0.077384 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -11.3410 eV Re[Sigma]= -990.010773 meV Im[Sigma]= 128.759455 meV Z= 1.139114 lam= -0.122125 E( 2 )= -11.3410 eV Re[Sigma]= -990.010773 meV Im[Sigma]= 128.759455 meV Z= 1.139114 lam= -0.122125 E( 3 )= 3.4833 eV Re[Sigma]= 266.802196 meV Im[Sigma]= 143.103497 meV Z= 0.971025 lam= 0.029839 E( 4 )= 3.4833 eV Re[Sigma]= 266.802196 meV Im[Sigma]= 143.103497 meV Z= 0.971025 lam= 0.029839 E( 5 )= 6.1662 eV Re[Sigma]= 294.958683 meV Im[Sigma]= 14.906275 meV Z= 0.926169 lam= 0.079716 E( 6 )= 6.1662 eV Re[Sigma]= 294.958683 meV Im[Sigma]= 14.906275 meV Z= 0.926169 lam= 0.079716 E( 7 )= 6.7121 eV Re[Sigma]= 281.137782 meV Im[Sigma]= 172.246046 meV Z= 1.310362 lam= -0.236852 E( 8 )= 6.7121 eV Re[Sigma]= 281.137782 meV Im[Sigma]= 172.246046 meV Z= 1.310362 lam= -0.236852 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -11.5411 eV Re[Sigma]= -971.038931 meV Im[Sigma]= 143.939885 meV Z= 1.273975 lam= -0.215055 E( 2 )= -11.5411 eV Re[Sigma]= -971.024446 meV Im[Sigma]= 143.934776 meV Z= 1.273956 lam= -0.215043 E( 3 )= 3.4588 eV Re[Sigma]= 186.393733 meV Im[Sigma]= 295.157745 meV Z= 1.554264 lam= -0.356609 E( 4 )= 3.4589 eV Re[Sigma]= 186.268764 meV Im[Sigma]= 295.101744 meV Z= 1.554581 lam= -0.356740 E( 5 )= 6.4109 eV Re[Sigma]= 291.013735 meV Im[Sigma]= 77.558163 meV Z= 1.076059 lam= -0.070683 E( 6 )= 6.4111 eV Re[Sigma]= 290.966038 meV Im[Sigma]= 77.575578 meV Z= 1.076207 lam= -0.070811 E( 7 )= 7.7957 eV Re[Sigma]= 231.673339 meV Im[Sigma]= 12.654236 meV Z= 0.999835 lam= 0.000165 E( 8 )= 7.7982 eV Re[Sigma]= 232.127850 meV Im[Sigma]= 12.466573 meV Z= 0.999294 lam= 0.000706 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -10.6236 eV Re[Sigma]= -1189.721854 meV Im[Sigma]= 275.281340 meV Z= 1.307228 lam= -0.235023 E( 2 )= -10.6229 eV Re[Sigma]= -1190.518957 meV Im[Sigma]= 275.727300 meV Z= 1.306476 lam= -0.234582 E( 3 )= 1.2452 eV Re[Sigma]= 233.401649 meV Im[Sigma]= 310.057184 meV Z= 1.056881 lam= -0.053819 E( 4 )= 1.3424 eV Re[Sigma]= 245.125093 meV Im[Sigma]= 267.482658 meV Z= 1.067442 lam= -0.063181 E( 5 )= 4.1060 eV Re[Sigma]= 371.612721 meV Im[Sigma]= 1155.138379 meV Z= -1.229382 lam= -1.813417 E( 6 )= 4.2190 eV Re[Sigma]= 605.408721 meV Im[Sigma]= 866.169296 meV Z= -6.273864 lam= -1.159391 E( 7 )= 6.8732 eV Re[Sigma]= 293.477564 meV Im[Sigma]= 87.713446 meV Z= 1.093155 lam= -0.085216 E( 8 )= 6.8827 eV Re[Sigma]= 293.181114 meV Im[Sigma]= 82.241921 meV Z= 1.082398 lam= -0.076126 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.869838 meV Im[Sigma]= 1016.982483 meV Z= -2.347180 lam= -1.426043 E( 2 )= -8.9136 eV Re[Sigma]= -1056.117604 meV Im[Sigma]= 1018.004521 meV Z= -2.333474 lam= -1.428546 E( 3 )= -3.2141 eV Re[Sigma]= 569.851192 meV Im[Sigma]= 754.742833 meV Z= -32.293511 lam= -1.030966 E( 4 )= -3.1889 eV Re[Sigma]= 597.783878 meV Im[Sigma]= 688.965955 meV Z= 4.977118 lam= -0.799080 E( 5 )= 2.4951 eV Re[Sigma]= -92.200774 meV Im[Sigma]= 596.482531 meV Z= 1.098384 lam= -0.089571 E( 6 )= 2.5270 eV Re[Sigma]= -94.333592 meV Im[Sigma]= 578.586156 meV Z= 0.869659 lam= 0.149876 E( 7 )= 5.4585 eV Re[Sigma]= 305.362015 meV Im[Sigma]= 321.147027 meV Z= 1.772838 lam= -0.435933 E( 8 )= 5.4623 eV Re[Sigma]= 307.485913 meV Im[Sigma]= 323.840435 meV Z= 1.811012 lam= -0.447823 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -8.2709 eV Re[Sigma]= -788.453692 meV Im[Sigma]= 531.434513 meV Z= 4.006978 lam= -0.750435 E( 2 )= -8.2690 eV Re[Sigma]= -787.302070 meV Im[Sigma]= 531.467520 meV Z= 3.999143 lam= -0.749946 E( 3 )= -4.6267 eV Re[Sigma]= 485.173536 meV Im[Sigma]= 250.548773 meV Z= 1.380830 lam= -0.275798 E( 4 )= -4.6138 eV Re[Sigma]= 492.075307 meV Im[Sigma]= 251.469171 meV Z= 1.378771 lam= -0.274716 E( 5 )= 2.8539 eV Re[Sigma]= 235.984442 meV Im[Sigma]= 1193.442565 meV Z= 3.436850 lam= -0.709036 E( 6 )= 2.8692 eV Re[Sigma]= 296.614172 meV Im[Sigma]= 1421.779086 meV Z= -1.245829 lam= -1.802678 E( 7 )= 4.6673 eV Re[Sigma]= 447.786341 meV Im[Sigma]= 282.752570 meV Z= 1.412109 lam= -0.291839 E( 8 )= 4.6689 eV Re[Sigma]= 448.745741 meV Im[Sigma]= 284.451057 meV Z= 1.436142 lam= -0.303690 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -10.1203 eV Re[Sigma]= -1124.863319 meV Im[Sigma]= 958.262105 meV Z= -1.374449 lam= -1.727564 E( 2 )= -10.1193 eV Re[Sigma]= -1123.510548 meV Im[Sigma]= 959.951781 meV Z= -1.358401 lam= -1.736160 E( 3 )= -0.0230 eV Re[Sigma]= 102.716062 meV Im[Sigma]= 593.986973 meV Z= -3.256526 lam= -1.307076 E( 4 )= 0.0250 eV Re[Sigma]= 172.607827 meV Im[Sigma]= 564.758125 meV Z= -17.342884 lam= -1.057661 E( 5 )= 3.8919 eV Re[Sigma]= 199.234198 meV Im[Sigma]= 496.076275 meV Z= 1.703530 lam= -0.412984 E( 6 )= 3.9455 eV Re[Sigma]= 231.727571 meV Im[Sigma]= 648.328863 meV Z= 12.675814 lam= -0.921110 E( 7 )= 5.5884 eV Re[Sigma]= 480.484272 meV Im[Sigma]= 453.940054 meV Z= 5.185107 lam= -0.807140 E( 8 )= 5.5902 eV Re[Sigma]= 482.605937 meV Im[Sigma]= 458.702449 meV Z= 5.439713 lam= -0.816167 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -10.1203 eV Re[Sigma]= -1125.133135 meV Im[Sigma]= 958.811027 meV Z= -1.371994 lam= -1.728866 E( 2 )= -10.1193 eV Re[Sigma]= -1123.742090 meV Im[Sigma]= 960.507998 meV Z= -1.355975 lam= -1.737477 E( 3 )= -0.0230 eV Re[Sigma]= 104.079378 meV Im[Sigma]= 583.797652 meV Z= -3.563663 lam= -1.280610 E( 4 )= 0.0250 eV Re[Sigma]= 171.630596 meV Im[Sigma]= 555.297694 meV Z= -27.811225 lam= -1.035957 E( 5 )= 3.8919 eV Re[Sigma]= 201.480813 meV Im[Sigma]= 503.387466 meV Z= 1.750369 lam= -0.428692 E( 6 )= 3.9455 eV Re[Sigma]= 232.460190 meV Im[Sigma]= 656.352275 meV Z= 15.633252 lam= -0.936034 E( 7 )= 5.5884 eV Re[Sigma]= 474.482606 meV Im[Sigma]= 445.338581 meV Z= 4.875941 lam= -0.794911 E( 8 )= 5.5902 eV Re[Sigma]= 476.624279 meV Im[Sigma]= 450.498196 meV Z= 5.127485 lam= -0.804973 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -10.6238 eV Re[Sigma]= -1189.542647 meV Im[Sigma]= 275.276988 meV Z= 1.307382 lam= -0.235112 E( 2 )= -10.6225 eV Re[Sigma]= -1189.941410 meV Im[Sigma]= 275.692924 meV Z= 1.306079 lam= -0.234350 E( 3 )= 1.2451 eV Re[Sigma]= 231.672178 meV Im[Sigma]= 313.136519 meV Z= 1.053328 lam= -0.050628 E( 4 )= 1.3431 eV Re[Sigma]= 243.759382 meV Im[Sigma]= 268.827943 meV Z= 1.063757 lam= -0.059936 E( 5 )= 4.1064 eV Re[Sigma]= 363.259997 meV Im[Sigma]= 1150.980266 meV Z= -1.218966 lam= -1.820368 E( 6 )= 4.2181 eV Re[Sigma]= 596.105918 meV Im[Sigma]= 871.962995 meV Z= -5.653314 lam= -1.176887 E( 7 )= 6.8740 eV Re[Sigma]= 294.370279 meV Im[Sigma]= 90.892251 meV Z= 1.097299 lam= -0.088671 E( 8 )= 6.8817 eV Re[Sigma]= 293.675561 meV Im[Sigma]= 85.595355 meV Z= 1.087133 lam= -0.080150 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1126.033759 meV Im[Sigma]= 958.815324 meV Z= -1.374426 lam= -1.727576 E( 2 )= -10.1193 eV Re[Sigma]= -1124.517520 meV Im[Sigma]= 960.547425 meV Z= -1.357679 lam= -1.736551 E( 3 )= -0.0233 eV Re[Sigma]= 104.773562 meV Im[Sigma]= 597.451990 meV Z= -3.154687 lam= -1.316989 E( 4 )= 0.0252 eV Re[Sigma]= 175.622861 meV Im[Sigma]= 568.019104 meV Z= -15.388329 lam= -1.064984 E( 5 )= 3.8914 eV Re[Sigma]= 207.504893 meV Im[Sigma]= 482.256545 meV Z= 1.666342 lam= -0.399883 E( 6 )= 3.9450 eV Re[Sigma]= 238.226379 meV Im[Sigma]= 627.147983 meV Z= 8.450120 lam= -0.881658 E( 7 )= 5.5890 eV Re[Sigma]= 479.544815 meV Im[Sigma]= 448.284084 meV Z= 4.967081 lam= -0.798675 E( 8 )= 5.5908 eV Re[Sigma]= 481.411497 meV Im[Sigma]= 453.234169 meV Z= 5.229607 lam= -0.808781 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -741.045919 meV Im[Sigma]= 1239.890540 meV Z= -1.002004 lam= -1.998000 E( 2 )= -8.7077 eV Re[Sigma]= -735.264816 meV Im[Sigma]= 1231.330579 meV Z= -1.019277 lam= -1.981088 E( 3 )= -1.9243 eV Re[Sigma]= 193.084662 meV Im[Sigma]= 337.279744 meV Z= 2.440391 lam= -0.590230 E( 4 )= -1.8692 eV Re[Sigma]= 218.923634 meV Im[Sigma]= 338.863251 meV Z= 2.155127 lam= -0.535990 E( 5 )= 1.0479 eV Re[Sigma]= 105.603589 meV Im[Sigma]= 387.727710 meV Z= 1.203242 lam= -0.168912 E( 6 )= 1.1243 eV Re[Sigma]= 153.343972 meV Im[Sigma]= 461.471263 meV Z= 1.436221 lam= -0.303729 E( 7 )= 4.0214 eV Re[Sigma]= 396.626169 meV Im[Sigma]= 806.656730 meV Z= -6.539594 lam= -1.152915 E( 8 )= 4.0623 eV Re[Sigma]= 493.388178 meV Im[Sigma]= 877.864806 meV Z= -2.494209 lam= -1.400929 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -708.977573 meV Im[Sigma]= 402.587398 meV Z= 1.765621 lam= -0.433627 E( 2 )= -7.3536 eV Re[Sigma]= -707.877752 meV Im[Sigma]= 399.687463 meV Z= 1.735741 lam= -0.423877 E( 3 )= -3.6171 eV Re[Sigma]= 110.758102 meV Im[Sigma]= 548.270977 meV Z= 3.553862 lam= -0.718616 E( 4 )= -3.6080 eV Re[Sigma]= 117.689613 meV Im[Sigma]= 565.494351 meV Z= 4.321928 lam= -0.768622 E( 5 )= -0.0412 eV Re[Sigma]= 110.808440 meV Im[Sigma]= 886.208918 meV Z= -1.206515 lam= -1.828834 E( 6 )= -0.0202 eV Re[Sigma]= 163.874241 meV Im[Sigma]= 905.893926 meV Z= -1.030906 lam= -1.970020 E( 7 )= 2.9592 eV Re[Sigma]= 374.402507 meV Im[Sigma]= 1659.718069 meV Z= -0.540580 lam= -2.849865 E( 8 )= 2.9909 eV Re[Sigma]= 465.474899 meV Im[Sigma]= 1386.935663 meV Z= -1.547990 lam= -1.645999 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -740.275342 meV Im[Sigma]= 1237.901636 meV Z= -1.004990 lam= -1.995035 E( 2 )= -8.7077 eV Re[Sigma]= -735.529130 meV Im[Sigma]= 1229.992703 meV Z= -1.021039 lam= -1.979394 E( 3 )= -1.9248 eV Re[Sigma]= 191.014716 meV Im[Sigma]= 336.777875 meV Z= 2.442757 lam= -0.590626 E( 4 )= -1.8691 eV Re[Sigma]= 217.079041 meV Im[Sigma]= 338.647883 meV Z= 2.160721 lam= -0.537192 E( 5 )= 1.0492 eV Re[Sigma]= 114.124036 meV Im[Sigma]= 387.099156 meV Z= 1.205836 lam= -0.170700 E( 6 )= 1.1242 eV Re[Sigma]= 161.318831 meV Im[Sigma]= 459.685587 meV Z= 1.428369 lam= -0.299901 E( 7 )= 4.0221 eV Re[Sigma]= 391.889002 meV Im[Sigma]= 823.066465 meV Z= -5.307611 lam= -1.188409 E( 8 )= 4.0609 eV Re[Sigma]= 486.781647 meV Im[Sigma]= 892.630977 meV Z= -2.335420 lam= -1.428188 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -8.2709 eV Re[Sigma]= -788.511222 meV Im[Sigma]= 531.747649 meV Z= 4.011475 lam= -0.750715 E( 2 )= -8.2690 eV Re[Sigma]= -787.347010 meV Im[Sigma]= 531.832352 meV Z= 4.005577 lam= -0.750348 E( 3 )= -4.6267 eV Re[Sigma]= 485.108695 meV Im[Sigma]= 250.388214 meV Z= 1.379808 lam= -0.275262 E( 4 )= -4.6138 eV Re[Sigma]= 491.927471 meV Im[Sigma]= 251.300836 meV Z= 1.377680 lam= -0.274142 E( 5 )= 2.8539 eV Re[Sigma]= 237.702830 meV Im[Sigma]= 1203.514181 meV Z= 3.756260 lam= -0.733778 E( 6 )= 2.8692 eV Re[Sigma]= 299.140535 meV Im[Sigma]= 1432.559800 meV Z= -1.204887 lam= -1.829953 E( 7 )= 4.6673 eV Re[Sigma]= 442.152720 meV Im[Sigma]= 273.928157 meV Z= 1.374448 lam= -0.272435 E( 8 )= 4.6689 eV Re[Sigma]= 443.062370 meV Im[Sigma]= 275.700356 meV Z= 1.397278 lam= -0.284323 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.308257 meV Im[Sigma]= 1015.586237 meV Z= -2.349487 lam= -1.425625 E( 2 )= -8.9135 eV Re[Sigma]= -1055.041174 meV Im[Sigma]= 1017.273845 meV Z= -2.332279 lam= -1.428765 E( 3 )= -3.2145 eV Re[Sigma]= 570.638047 meV Im[Sigma]= 754.499616 meV Z= -34.504954 lam= -1.028981 E( 4 )= -3.1886 eV Re[Sigma]= 599.563041 meV Im[Sigma]= 688.085625 meV Z= 4.787438 lam= -0.791120 E( 5 )= 2.4955 eV Re[Sigma]= -101.476022 meV Im[Sigma]= 598.280495 meV Z= 1.092054 lam= -0.084294 E( 6 )= 2.5270 eV Re[Sigma]= -103.394000 meV Im[Sigma]= 579.233088 meV Z= 0.868202 lam= 0.151806 E( 7 )= 5.4585 eV Re[Sigma]= 307.285517 meV Im[Sigma]= 316.182628 meV Z= 1.734637 lam= -0.423511 E( 8 )= 5.4617 eV Re[Sigma]= 309.056775 meV Im[Sigma]= 317.791633 meV Z= 1.758375 lam= -0.431293 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -8.7096 eV Re[Sigma]= -739.670037 meV Im[Sigma]= 1237.542058 meV Z= -1.005728 lam= -1.994305 E( 2 )= -8.7082 eV Re[Sigma]= -735.901575 meV Im[Sigma]= 1232.136747 meV Z= -1.016683 lam= -1.983591 E( 3 )= -1.9254 eV Re[Sigma]= 193.125624 meV Im[Sigma]= 336.929134 meV Z= 2.437163 lam= -0.589687 E( 4 )= -1.8681 eV Re[Sigma]= 220.495413 meV Im[Sigma]= 339.143234 meV Z= 2.152976 lam= -0.535527 E( 5 )= 1.0479 eV Re[Sigma]= 110.984646 meV Im[Sigma]= 387.902026 meV Z= 1.195828 lam= -0.163760 E( 6 )= 1.1244 eV Re[Sigma]= 159.473890 meV Im[Sigma]= 461.255682 meV Z= 1.421335 lam= -0.296436 E( 7 )= 4.0215 eV Re[Sigma]= 402.671398 meV Im[Sigma]= 829.748202 meV Z= -5.026917 lam= -1.198929 E( 8 )= 4.0621 eV Re[Sigma]= 499.364945 meV Im[Sigma]= 892.251887 meV Z= -2.452572 lam= -1.407735 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -735.695584 meV Im[Sigma]= 1012.778476 meV Z= -3.582260 lam= -1.279153 E( 2 )= -7.6743 eV Re[Sigma]= -734.286725 meV Im[Sigma]= 1014.315243 meV Z= -3.548553 lam= -1.281805 E( 3 )= -3.2961 eV Re[Sigma]= 318.956034 meV Im[Sigma]= 531.939865 meV Z= 2.786215 lam= -0.641090 E( 4 )= -3.2764 eV Re[Sigma]= 341.283253 meV Im[Sigma]= 557.706686 meV Z= 6.417907 lam= -0.844186 E( 5 )= 0.5424 eV Re[Sigma]= 169.275644 meV Im[Sigma]= 378.204366 meV Z= 1.966286 lam= -0.491427 E( 6 )= 0.5642 eV Re[Sigma]= 187.343327 meV Im[Sigma]= 378.454193 meV Z= 1.930569 lam= -0.482018 E( 7 )= 2.3784 eV Re[Sigma]= -72.715664 meV Im[Sigma]= 523.961917 meV Z= 2.123905 lam= -0.529169 E( 8 )= 2.3802 eV Re[Sigma]= -70.380924 meV Im[Sigma]= 527.066572 meV Z= 2.166779 lam= -0.538486 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -6.7922 eV Re[Sigma]= -680.006277 meV Im[Sigma]= 1.146517 meV Z= 0.655130 lam= 0.526414 E( 2 )= -6.7909 eV Re[Sigma]= -680.551223 meV Im[Sigma]= 1.121464 meV Z= 0.655494 lam= 0.525568 E( 3 )= -3.5378 eV Re[Sigma]= 41.049661 meV Im[Sigma]= 645.517864 meV Z= 1.890981 lam= -0.471174 E( 4 )= -3.5264 eV Re[Sigma]= 40.311597 meV Im[Sigma]= 681.178834 meV Z= 1.645651 lam= -0.392338 E( 5 )= -0.4630 eV Re[Sigma]= 22.435526 meV Im[Sigma]= 293.794026 meV Z= 1.260925 lam= -0.206931 E( 6 )= -0.4548 eV Re[Sigma]= 20.865743 meV Im[Sigma]= 290.275068 meV Z= 1.230320 lam= -0.187203 E( 7 )= 1.4118 eV Re[Sigma]= 399.097555 meV Im[Sigma]= 424.616814 meV Z= 1.154256 lam= -0.133641 E( 8 )= 1.4397 eV Re[Sigma]= 390.522920 meV Im[Sigma]= 357.588127 meV Z= 1.049830 lam= -0.047465 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -708.776368 meV Im[Sigma]= 402.205516 meV Z= 1.761986 lam= -0.432459 E( 2 )= -7.3536 eV Re[Sigma]= -707.635778 meV Im[Sigma]= 399.360040 meV Z= 1.732782 lam= -0.422893 E( 3 )= -3.6171 eV Re[Sigma]= 111.153559 meV Im[Sigma]= 549.434055 meV Z= 3.602309 lam= -0.722400 E( 4 )= -3.6080 eV Re[Sigma]= 118.086333 meV Im[Sigma]= 566.209246 meV Z= 4.363438 lam= -0.770823 E( 5 )= -0.0412 eV Re[Sigma]= 113.357520 meV Im[Sigma]= 889.688957 meV Z= -1.197739 lam= -1.834907 E( 6 )= -0.0202 eV Re[Sigma]= 167.215422 meV Im[Sigma]= 909.902652 meV Z= -1.019710 lam= -1.980671 E( 7 )= 2.9592 eV Re[Sigma]= 368.142311 meV Im[Sigma]= 1639.729641 meV Z= -0.552967 lam= -2.808426 E( 8 )= 2.9909 eV Re[Sigma]= 458.487993 meV Im[Sigma]= 1372.062288 meV Z= -1.600285 lam= -1.624889 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.637814 meV Im[Sigma]= 1016.443432 meV Z= -2.354684 lam= -1.424685 E( 2 )= -8.9136 eV Re[Sigma]= -1055.892336 meV Im[Sigma]= 1017.528048 meV Z= -2.340142 lam= -1.427324 E( 3 )= -3.2141 eV Re[Sigma]= 571.985497 meV Im[Sigma]= 757.754547 meV Z= -28.192019 lam= -1.035471 E( 4 )= -3.1889 eV Re[Sigma]= 600.179477 meV Im[Sigma]= 691.343208 meV Z= 4.991367 lam= -0.799654 E( 5 )= 2.4951 eV Re[Sigma]= -91.681567 meV Im[Sigma]= 600.678852 meV Z= 1.103995 lam= -0.094199 E( 6 )= 2.5270 eV Re[Sigma]= -94.233486 meV Im[Sigma]= 582.113850 meV Z= 0.870755 lam= 0.148429 E( 7 )= 5.4585 eV Re[Sigma]= 303.320041 meV Im[Sigma]= 325.859022 meV Z= 1.790926 lam= -0.441629 E( 8 )= 5.4623 eV Re[Sigma]= 305.382448 meV Im[Sigma]= 329.003913 meV Z= 1.832620 lam= -0.454333 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -788.418074 meV Im[Sigma]= 532.044849 meV Z= 4.016164 lam= -0.751006 E( 2 )= -8.2690 eV Re[Sigma]= -787.227658 meV Im[Sigma]= 532.234645 meV Z= 4.013462 lam= -0.750839 E( 3 )= -4.6268 eV Re[Sigma]= 484.034535 meV Im[Sigma]= 250.808207 meV Z= 1.381218 lam= -0.276001 E( 4 )= -4.6137 eV Re[Sigma]= 490.686266 meV Im[Sigma]= 251.932256 meV Z= 1.380308 lam= -0.275524 E( 5 )= 2.8526 eV Re[Sigma]= 255.503565 meV Im[Sigma]= 1189.225702 meV Z= 3.178581 lam= -0.685394 E( 6 )= 2.8702 eV Re[Sigma]= 319.264581 meV Im[Sigma]= 1422.755629 meV Z= -1.236093 lam= -1.809001 E( 7 )= 4.6663 eV Re[Sigma]= 444.200132 meV Im[Sigma]= 273.714294 meV Z= 1.354897 lam= -0.261937 E( 8 )= 4.6703 eV Re[Sigma]= 446.927075 meV Im[Sigma]= 276.214490 meV Z= 1.386794 lam= -0.278912 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.3559 eV Re[Sigma]= -709.509602 meV Im[Sigma]= 402.339823 meV Z= 1.763720 lam= -0.433017 E( 2 )= -7.3533 eV Re[Sigma]= -708.261068 meV Im[Sigma]= 398.715284 meV Z= 1.726586 lam= -0.420822 E( 3 )= -3.6163 eV Re[Sigma]= 113.986310 meV Im[Sigma]= 544.440481 meV Z= 3.489023 lam= -0.713387 E( 4 )= -3.6087 eV Re[Sigma]= 120.204076 meV Im[Sigma]= 561.301179 meV Z= 4.244053 lam= -0.764376 E( 5 )= -0.0413 eV Re[Sigma]= 110.096276 meV Im[Sigma]= 878.453219 meV Z= -1.250007 lam= -1.799996 E( 6 )= -0.0204 eV Re[Sigma]= 163.741451 meV Im[Sigma]= 898.786880 meV Z= -1.058278 lam= -1.944931 E( 7 )= 2.9599 eV Re[Sigma]= 365.277057 meV Im[Sigma]= 1629.029669 meV Z= -0.559946 lam= -2.785888 E( 8 )= 2.9903 eV Re[Sigma]= 453.679851 meV Im[Sigma]= 1367.087816 meV Z= -1.598773 lam= -1.625480 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -6.7933 eV Re[Sigma]= -679.529229 meV Im[Sigma]= 1.156032 meV Z= 0.655201 lam= 0.526249 E( 2 )= -6.7899 eV Re[Sigma]= -681.124954 meV Im[Sigma]= 1.117875 meV Z= 0.655538 lam= 0.525464 E( 3 )= -3.5364 eV Re[Sigma]= 46.739581 meV Im[Sigma]= 639.866364 meV Z= 1.855617 lam= -0.461096 E( 4 )= -3.5273 eV Re[Sigma]= 44.370192 meV Im[Sigma]= 675.719140 meV Z= 1.663782 lam= -0.398960 E( 5 )= -0.4605 eV Re[Sigma]= 20.556726 meV Im[Sigma]= 288.769310 meV Z= 1.237516 lam= -0.191930 E( 6 )= -0.4580 eV Re[Sigma]= 18.103254 meV Im[Sigma]= 286.011920 meV Z= 1.219783 lam= -0.180182 E( 7 )= 1.4150 eV Re[Sigma]= 400.733301 meV Im[Sigma]= 419.636948 meV Z= 1.140061 lam= -0.122854 E( 8 )= 1.4368 eV Re[Sigma]= 390.414935 meV Im[Sigma]= 361.236847 meV Z= 1.060638 lam= -0.057171 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -735.379939 meV Im[Sigma]= 1012.977511 meV Z= -3.574643 lam= -1.279748 E( 2 )= -7.6743 eV Re[Sigma]= -733.931610 meV Im[Sigma]= 1014.375217 meV Z= -3.546226 lam= -1.281990 E( 3 )= -3.2961 eV Re[Sigma]= 319.231602 meV Im[Sigma]= 533.060261 meV Z= 2.809775 lam= -0.644100 E( 4 )= -3.2764 eV Re[Sigma]= 341.418328 meV Im[Sigma]= 558.692363 meV Z= 6.518062 lam= -0.846580 E( 5 )= 0.5424 eV Re[Sigma]= 169.342043 meV Im[Sigma]= 377.627994 meV Z= 1.964673 lam= -0.491009 E( 6 )= 0.5642 eV Re[Sigma]= 187.173509 meV Im[Sigma]= 377.938330 meV Z= 1.927928 lam= -0.481309 E( 7 )= 2.3784 eV Re[Sigma]= -72.347972 meV Im[Sigma]= 522.454009 meV Z= 2.096448 lam= -0.523003 E( 8 )= 2.3802 eV Re[Sigma]= -69.817011 meV Im[Sigma]= 526.173844 meV Z= 2.149903 lam= -0.534863 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -740.622903 meV Im[Sigma]= 1239.089873 meV Z= -1.003855 lam= -1.996160 E( 2 )= -8.7077 eV Re[Sigma]= -734.807818 meV Im[Sigma]= 1230.552962 meV Z= -1.021129 lam= -1.979308 E( 3 )= -1.9243 eV Re[Sigma]= 190.968398 meV Im[Sigma]= 335.158054 meV Z= 2.401103 lam= -0.583525 E( 4 )= -1.8692 eV Re[Sigma]= 217.501323 meV Im[Sigma]= 337.180288 meV Z= 2.133225 lam= -0.531226 E( 5 )= 1.0479 eV Re[Sigma]= 105.363611 meV Im[Sigma]= 386.593025 meV Z= 1.200060 lam= -0.166708 E( 6 )= 1.1243 eV Re[Sigma]= 152.870593 meV Im[Sigma]= 459.166025 meV Z= 1.425223 lam= -0.298355 E( 7 )= 4.0214 eV Re[Sigma]= 398.614601 meV Im[Sigma]= 804.419629 meV Z= -6.618980 lam= -1.151081 E( 8 )= 4.0623 eV Re[Sigma]= 495.251508 meV Im[Sigma]= 875.688855 meV Z= -2.493338 lam= -1.401069 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -10.6236 eV Re[Sigma]= -1189.776298 meV Im[Sigma]= 275.456245 meV Z= 1.307868 lam= -0.235397 E( 2 )= -10.6229 eV Re[Sigma]= -1190.554849 meV Im[Sigma]= 275.920710 meV Z= 1.307214 lam= -0.235014 E( 3 )= 1.2452 eV Re[Sigma]= 236.903697 meV Im[Sigma]= 313.890653 meV Z= 1.058586 lam= -0.055344 E( 4 )= 1.3424 eV Re[Sigma]= 249.079302 meV Im[Sigma]= 266.314710 meV Z= 1.055140 lam= -0.052259 E( 5 )= 4.1060 eV Re[Sigma]= 364.485201 meV Im[Sigma]= 1174.637888 meV Z= -1.171306 lam= -1.853748 E( 6 )= 4.2190 eV Re[Sigma]= 605.015715 meV Im[Sigma]= 887.303175 meV Z= -4.776821 lam= -1.209344 E( 7 )= 6.8732 eV Re[Sigma]= 295.956958 meV Im[Sigma]= 94.734613 meV Z= 1.108466 lam= -0.097853 E( 8 )= 6.8827 eV Re[Sigma]= 295.689227 meV Im[Sigma]= 89.092602 meV Z= 1.096690 lam= -0.088165 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.913316 meV Im[Sigma]= 958.591862 meV Z= -1.374763 lam= -1.727398 E( 2 )= -10.1193 eV Re[Sigma]= -1124.403059 meV Im[Sigma]= 960.296227 meV Z= -1.358063 lam= -1.736343 E( 3 )= -0.0233 eV Re[Sigma]= 102.073357 meV Im[Sigma]= 590.888675 meV Z= -3.418254 lam= -1.292547 E( 4 )= 0.0252 eV Re[Sigma]= 170.911385 meV Im[Sigma]= 561.187852 meV Z= -23.204769 lam= -1.043095 E( 5 )= 3.8914 eV Re[Sigma]= 204.383596 meV Im[Sigma]= 490.334219 meV Z= 1.683089 lam= -0.405854 E( 6 )= 3.9450 eV Re[Sigma]= 234.594771 meV Im[Sigma]= 643.199177 meV Z= 10.725564 lam= -0.906765 E( 7 )= 5.5890 eV Re[Sigma]= 476.772473 meV Im[Sigma]= 455.531031 meV Z= 5.154513 lam= -0.805995 E( 8 )= 5.5908 eV Re[Sigma]= 478.988824 meV Im[Sigma]= 459.806880 meV Z= 5.383429 lam= -0.814245 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -8.7096 eV Re[Sigma]= -740.139462 meV Im[Sigma]= 1237.101543 meV Z= -1.006584 lam= -1.993459 E( 2 )= -8.7082 eV Re[Sigma]= -736.345936 meV Im[Sigma]= 1231.537668 meV Z= -1.017973 lam= -1.982344 E( 3 )= -1.9254 eV Re[Sigma]= 192.033278 meV Im[Sigma]= 336.300318 meV Z= 2.421323 lam= -0.587003 E( 4 )= -1.8681 eV Re[Sigma]= 219.968092 meV Im[Sigma]= 338.674572 meV Z= 2.138905 lam= -0.532471 E( 5 )= 1.0479 eV Re[Sigma]= 114.735055 meV Im[Sigma]= 387.326664 meV Z= 1.193789 lam= -0.162331 E( 6 )= 1.1244 eV Re[Sigma]= 164.164240 meV Im[Sigma]= 460.610705 meV Z= 1.426410 lam= -0.298939 E( 7 )= 4.0215 eV Re[Sigma]= 404.240725 meV Im[Sigma]= 805.031223 meV Z= -5.543492 lam= -1.180392 E( 8 )= 4.0621 eV Re[Sigma]= 500.184653 meV Im[Sigma]= 861.701661 meV Z= -2.663877 lam= -1.375393 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -7.3559 eV Re[Sigma]= -709.263836 meV Im[Sigma]= 402.453211 meV Z= 1.763501 lam= -0.432946 E( 2 )= -7.3533 eV Re[Sigma]= -708.046707 meV Im[Sigma]= 398.803239 meV Z= 1.726254 lam= -0.420711 E( 3 )= -3.6163 eV Re[Sigma]= 113.766129 meV Im[Sigma]= 541.375548 meV Z= 3.396091 lam= -0.705544 E( 4 )= -3.6087 eV Re[Sigma]= 119.679786 meV Im[Sigma]= 558.201440 meV Z= 4.086240 lam= -0.755276 E( 5 )= -0.0413 eV Re[Sigma]= 108.477237 meV Im[Sigma]= 877.446575 meV Z= -1.255050 lam= -1.796781 E( 6 )= -0.0204 eV Re[Sigma]= 161.951575 meV Im[Sigma]= 898.243424 meV Z= -1.059229 lam= -1.944083 E( 7 )= 2.9599 eV Re[Sigma]= 360.611586 meV Im[Sigma]= 1616.838558 meV Z= -0.569609 lam= -2.755590 E( 8 )= 2.9903 eV Re[Sigma]= 448.815595 meV Im[Sigma]= 1356.213448 meV Z= -1.665846 lam= -1.600295 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -8.7096 eV Re[Sigma]= -739.498436 meV Im[Sigma]= 1237.288616 meV Z= -1.006565 lam= -1.993478 E( 2 )= -8.7082 eV Re[Sigma]= -735.748984 meV Im[Sigma]= 1231.880614 meV Z= -1.017576 lam= -1.982728 E( 3 )= -1.9254 eV Re[Sigma]= 194.173927 meV Im[Sigma]= 336.524014 meV Z= 2.435652 lam= -0.589432 E( 4 )= -1.8681 eV Re[Sigma]= 222.884873 meV Im[Sigma]= 338.349329 meV Z= 2.146369 lam= -0.534097 E( 5 )= 1.0479 eV Re[Sigma]= 110.271562 meV Im[Sigma]= 385.666933 meV Z= 1.183840 lam= -0.155292 E( 6 )= 1.1244 eV Re[Sigma]= 158.329628 meV Im[Sigma]= 460.072326 meV Z= 1.410380 lam= -0.290971 E( 7 )= 4.0215 eV Re[Sigma]= 401.245029 meV Im[Sigma]= 832.092538 meV Z= -5.025052 lam= -1.199003 E( 8 )= 4.0621 eV Re[Sigma]= 499.265227 meV Im[Sigma]= 897.170557 meV Z= -2.382537 lam= -1.419721 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.744863 meV Im[Sigma]= 959.208151 meV Z= -1.372597 lam= -1.728546 E( 2 )= -10.1193 eV Re[Sigma]= -1124.224280 meV Im[Sigma]= 960.952069 meV Z= -1.355834 lam= -1.737553 E( 3 )= -0.0233 eV Re[Sigma]= 103.466143 meV Im[Sigma]= 591.263579 meV Z= -3.346764 lam= -1.298796 E( 4 )= 0.0252 eV Re[Sigma]= 172.441679 meV Im[Sigma]= 562.909781 meV Z= -18.336994 lam= -1.054535 E( 5 )= 3.8914 eV Re[Sigma]= 205.265266 meV Im[Sigma]= 488.440253 meV Z= 1.697098 lam= -0.410759 E( 6 )= 3.9450 eV Re[Sigma]= 235.305563 meV Im[Sigma]= 633.154514 meV Z= 9.433270 lam= -0.893992 E( 7 )= 5.5890 eV Re[Sigma]= 483.623721 meV Im[Sigma]= 446.183058 meV Z= 4.657085 lam= -0.785273 E( 8 )= 5.5908 eV Re[Sigma]= 485.442977 meV Im[Sigma]= 450.981782 meV Z= 4.871106 lam= -0.794708 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -10.0072 eV Re[Sigma]= -664.185239 meV Im[Sigma]= 1372.071957 meV Z= -0.998081 lam= -2.001923 E( 2 )= -10.0072 eV Re[Sigma]= -664.185239 meV Im[Sigma]= 1372.071957 meV Z= -0.998081 lam= -2.001923 E( 3 )= -1.9455 eV Re[Sigma]= 200.330917 meV Im[Sigma]= 212.313022 meV Z= 1.323411 lam= -0.244377 E( 4 )= -1.9455 eV Re[Sigma]= 200.330917 meV Im[Sigma]= 212.313022 meV Z= 1.323411 lam= -0.244377 E( 5 )= 4.7466 eV Re[Sigma]= 439.437798 meV Im[Sigma]= 290.053932 meV Z= 1.467069 lam= -0.318369 E( 6 )= 4.7466 eV Re[Sigma]= 439.437798 meV Im[Sigma]= 290.053932 meV Z= 1.467069 lam= -0.318369 E( 7 )= 6.7126 eV Re[Sigma]= 349.766186 meV Im[Sigma]= 102.675414 meV Z= 1.137746 lam= -0.121069 E( 8 )= 6.7126 eV Re[Sigma]= 349.766186 meV Im[Sigma]= 102.675414 meV Z= 1.137746 lam= -0.121069 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.628017 meV Im[Sigma]= 958.378024 meV Z= -1.375732 lam= -1.726886 E( 2 )= -10.1193 eV Re[Sigma]= -1123.989634 meV Im[Sigma]= 960.083317 meV Z= -1.359014 lam= -1.735827 E( 3 )= -0.0233 eV Re[Sigma]= 101.571214 meV Im[Sigma]= 589.693744 meV Z= -3.433058 lam= -1.291286 E( 4 )= 0.0252 eV Re[Sigma]= 171.050499 meV Im[Sigma]= 561.173124 meV Z= -22.178182 lam= -1.045089 E( 5 )= 3.8914 eV Re[Sigma]= 204.763871 meV Im[Sigma]= 476.323772 meV Z= 1.658914 lam= -0.397196 E( 6 )= 3.9450 eV Re[Sigma]= 234.021380 meV Im[Sigma]= 621.811172 meV Z= 7.649851 lam= -0.869279 E( 7 )= 5.5890 eV Re[Sigma]= 479.512461 meV Im[Sigma]= 461.558676 meV Z= 5.590220 lam= -0.821116 E( 8 )= 5.5908 eV Re[Sigma]= 481.420620 meV Im[Sigma]= 466.235565 meV Z= 5.907537 lam= -0.830725 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -9.2916 eV Re[Sigma]= -1209.548917 meV Im[Sigma]= 265.135317 meV Z= 0.606412 lam= 0.649044 E( 2 )= -9.2916 eV Re[Sigma]= -1209.548917 meV Im[Sigma]= 265.135317 meV Z= 0.606412 lam= 0.649044 E( 3 )= -0.6078 eV Re[Sigma]= 99.157968 meV Im[Sigma]= 97.573736 meV Z= 0.913707 lam= 0.094443 E( 4 )= -0.6078 eV Re[Sigma]= 99.157968 meV Im[Sigma]= 97.573736 meV Z= 0.913707 lam= 0.094443 E( 5 )= 2.2063 eV Re[Sigma]= 93.080528 meV Im[Sigma]= 157.357181 meV Z= 0.823492 lam= 0.214341 E( 6 )= 2.2063 eV Re[Sigma]= 93.080528 meV Im[Sigma]= 157.357181 meV Z= 0.823492 lam= 0.214341 E( 7 )= 3.4267 eV Re[Sigma]= 245.394375 meV Im[Sigma]= 184.401065 meV Z= 0.981670 lam= 0.018672 E( 8 )= 3.4267 eV Re[Sigma]= 245.394375 meV Im[Sigma]= 184.401065 meV Z= 0.981670 lam= 0.018672 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -735.178006 meV Im[Sigma]= 1012.661038 meV Z= -3.583424 lam= -1.279063 E( 2 )= -7.6743 eV Re[Sigma]= -733.745371 meV Im[Sigma]= 1014.095713 meV Z= -3.553822 lam= -1.281387 E( 3 )= -3.2961 eV Re[Sigma]= 320.647517 meV Im[Sigma]= 532.321032 meV Z= 2.787006 lam= -0.641192 E( 4 )= -3.2764 eV Re[Sigma]= 342.338125 meV Im[Sigma]= 557.735732 meV Z= 6.229341 lam= -0.839469 E( 5 )= 0.5424 eV Re[Sigma]= 168.688410 meV Im[Sigma]= 383.286386 meV Z= 2.030867 lam= -0.507599 E( 6 )= 0.5642 eV Re[Sigma]= 187.269365 meV Im[Sigma]= 383.540994 meV Z= 1.989830 lam= -0.497445 E( 7 )= 2.3784 eV Re[Sigma]= -64.742616 meV Im[Sigma]= 524.300318 meV Z= 2.179211 lam= -0.541118 E( 8 )= 2.3802 eV Re[Sigma]= -61.555141 meV Im[Sigma]= 527.294246 meV Z= 2.223933 lam= -0.550346 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.4030 eV Re[Sigma]= -367.662116 meV Im[Sigma]= 891.547261 meV Z= 3.036328 lam= -0.670655 E( 2 )= -7.4030 eV Re[Sigma]= -367.662116 meV Im[Sigma]= 891.547261 meV Z= 3.036328 lam= -0.670655 E( 3 )= -2.5926 eV Re[Sigma]= 394.201588 meV Im[Sigma]= 98.970945 meV Z= 0.740642 lam= 0.350180 E( 4 )= -2.5926 eV Re[Sigma]= 394.201588 meV Im[Sigma]= 98.970945 meV Z= 0.740642 lam= 0.350180 E( 5 )= -1.5227 eV Re[Sigma]= 471.394751 meV Im[Sigma]= 160.700261 meV Z= 0.817170 lam= 0.223735 E( 6 )= -1.5227 eV Re[Sigma]= 471.394751 meV Im[Sigma]= 160.700261 meV Z= 0.817170 lam= 0.223735 E( 7 )= 3.4954 eV Re[Sigma]= 569.929465 meV Im[Sigma]= 463.477713 meV Z= 1.710733 lam= -0.415455 E( 8 )= 3.4954 eV Re[Sigma]= 569.929465 meV Im[Sigma]= 463.477713 meV Z= 1.710733 lam= -0.415455 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.486093 meV Im[Sigma]= 1015.734256 meV Z= -2.353656 lam= -1.424871 E( 2 )= -8.9135 eV Re[Sigma]= -1055.200501 meV Im[Sigma]= 1017.424456 meV Z= -2.335970 lam= -1.428088 E( 3 )= -3.2145 eV Re[Sigma]= 568.163860 meV Im[Sigma]= 755.084182 meV Z= -28.887160 lam= -1.034617 E( 4 )= -3.1886 eV Re[Sigma]= 597.384711 meV Im[Sigma]= 687.609126 meV Z= 4.847225 lam= -0.793696 E( 5 )= 2.4955 eV Re[Sigma]= -96.351926 meV Im[Sigma]= 606.965138 meV Z= 1.111230 lam= -0.100097 E( 6 )= 2.5270 eV Re[Sigma]= -97.884331 meV Im[Sigma]= 587.715014 meV Z= 0.880102 lam= 0.136232 E( 7 )= 5.4585 eV Re[Sigma]= 302.136281 meV Im[Sigma]= 318.639681 meV Z= 1.746211 lam= -0.427331 E( 8 )= 5.4617 eV Re[Sigma]= 304.164203 meV Im[Sigma]= 320.713342 meV Z= 1.773492 lam= -0.436141 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -10.1203 eV Re[Sigma]= -1125.033511 meV Im[Sigma]= 958.624728 meV Z= -1.371667 lam= -1.729040 E( 2 )= -10.1193 eV Re[Sigma]= -1123.576276 meV Im[Sigma]= 960.169995 meV Z= -1.356168 lam= -1.737372 E( 3 )= -0.0230 eV Re[Sigma]= 105.978677 meV Im[Sigma]= 595.607811 meV Z= -3.171189 lam= -1.315339 E( 4 )= 0.0250 eV Re[Sigma]= 173.854399 meV Im[Sigma]= 565.956967 meV Z= -15.603782 lam= -1.064087 E( 5 )= 3.8919 eV Re[Sigma]= 201.761167 meV Im[Sigma]= 498.479135 meV Z= 1.720842 lam= -0.418889 E( 6 )= 3.9455 eV Re[Sigma]= 232.476952 meV Im[Sigma]= 657.842678 meV Z= 14.210771 lam= -0.929631 E( 7 )= 5.5884 eV Re[Sigma]= 470.962640 meV Im[Sigma]= 448.366274 meV Z= 5.017033 lam= -0.800679 E( 8 )= 5.5902 eV Re[Sigma]= 473.226705 meV Im[Sigma]= 453.521093 meV Z= 5.262180 lam= -0.809965 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -10.6238 eV Re[Sigma]= -1188.938122 meV Im[Sigma]= 275.288927 meV Z= 1.308604 lam= -0.235827 E( 2 )= -10.6225 eV Re[Sigma]= -1189.491330 meV Im[Sigma]= 275.674565 meV Z= 1.307088 lam= -0.234941 E( 3 )= 1.2451 eV Re[Sigma]= 230.908670 meV Im[Sigma]= 307.987277 meV Z= 1.047345 lam= -0.045205 E( 4 )= 1.3431 eV Re[Sigma]= 243.415220 meV Im[Sigma]= 265.450761 meV Z= 1.059381 lam= -0.056052 E( 5 )= 4.1064 eV Re[Sigma]= 371.424446 meV Im[Sigma]= 1151.767509 meV Z= -1.220726 lam= -1.819184 E( 6 )= 4.2181 eV Re[Sigma]= 599.733033 meV Im[Sigma]= 855.351147 meV Z= -8.428894 lam= -1.118640 E( 7 )= 6.8740 eV Re[Sigma]= 294.314963 meV Im[Sigma]= 92.199761 meV Z= 1.101355 lam= -0.092028 E( 8 )= 6.8817 eV Re[Sigma]= 293.533669 meV Im[Sigma]= 86.587561 meV Z= 1.090827 lam= -0.083264 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.583944 meV Im[Sigma]= 958.057538 meV Z= -1.377313 lam= -1.726051 E( 2 )= -10.1193 eV Re[Sigma]= -1123.962586 meV Im[Sigma]= 959.751705 meV Z= -1.360619 lam= -1.734960 E( 3 )= -0.0233 eV Re[Sigma]= 101.326003 meV Im[Sigma]= 584.340817 meV Z= -3.618798 lam= -1.276335 E( 4 )= 0.0252 eV Re[Sigma]= 169.805681 meV Im[Sigma]= 556.110996 meV Z= -31.225351 lam= -1.032025 E( 5 )= 3.8914 eV Re[Sigma]= 205.746434 meV Im[Sigma]= 476.814187 meV Z= 1.649323 lam= -0.393691 E( 6 )= 3.9450 eV Re[Sigma]= 234.484212 meV Im[Sigma]= 621.617578 meV Z= 7.682479 lam= -0.869834 E( 7 )= 5.5890 eV Re[Sigma]= 480.647508 meV Im[Sigma]= 465.705083 meV Z= 5.956095 lam= -0.832105 E( 8 )= 5.5908 eV Re[Sigma]= 482.402249 meV Im[Sigma]= 470.602685 meV Z= 6.335207 lam= -0.842152 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -740.791208 meV Im[Sigma]= 1239.132945 meV Z= -1.003382 lam= -1.996629 E( 2 )= -8.7077 eV Re[Sigma]= -735.108718 meV Im[Sigma]= 1230.291378 meV Z= -1.021050 lam= -1.979384 E( 3 )= -1.9243 eV Re[Sigma]= 193.445578 meV Im[Sigma]= 336.209457 meV Z= 2.421912 lam= -0.587103 E( 4 )= -1.8692 eV Re[Sigma]= 218.889057 meV Im[Sigma]= 338.510956 meV Z= 2.156055 lam= -0.536190 E( 5 )= 1.0479 eV Re[Sigma]= 111.567734 meV Im[Sigma]= 388.886528 meV Z= 1.197619 lam= -0.165010 E( 6 )= 1.1243 eV Re[Sigma]= 160.463242 meV Im[Sigma]= 462.410249 meV Z= 1.428926 lam= -0.300174 E( 7 )= 4.0214 eV Re[Sigma]= 398.653155 meV Im[Sigma]= 801.582710 meV Z= -6.252667 lam= -1.159932 E( 8 )= 4.0623 eV Re[Sigma]= 496.013527 meV Im[Sigma]= 870.137865 meV Z= -2.498114 lam= -1.400302 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -708.825445 meV Im[Sigma]= 402.735214 meV Z= 1.766013 lam= -0.433753 E( 2 )= -7.3536 eV Re[Sigma]= -707.740813 meV Im[Sigma]= 399.854894 meV Z= 1.736352 lam= -0.424080 E( 3 )= -3.6171 eV Re[Sigma]= 110.653761 meV Im[Sigma]= 546.283836 meV Z= 3.467465 lam= -0.711605 E( 4 )= -3.6080 eV Re[Sigma]= 117.482800 meV Im[Sigma]= 563.663938 meV Z= 4.216188 lam= -0.762819 E( 5 )= -0.0412 eV Re[Sigma]= 109.302072 meV Im[Sigma]= 884.170701 meV Z= -1.216033 lam= -1.822346 E( 6 )= -0.0202 eV Re[Sigma]= 162.971589 meV Im[Sigma]= 904.450424 meV Z= -1.036028 lam= -1.965225 E( 7 )= 2.9592 eV Re[Sigma]= 357.311416 meV Im[Sigma]= 1611.186996 meV Z= -0.569946 lam= -2.754552 E( 8 )= 2.9909 eV Re[Sigma]= 446.532239 meV Im[Sigma]= 1352.860344 meV Z= -1.646684 lam= -1.607281 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -740.358968 meV Im[Sigma]= 1239.226852 meV Z= -1.002411 lam= -1.997595 E( 2 )= -8.7077 eV Re[Sigma]= -735.598739 meV Im[Sigma]= 1231.196788 meV Z= -1.018575 lam= -1.981764 E( 3 )= -1.9248 eV Re[Sigma]= 191.114263 meV Im[Sigma]= 332.854255 meV Z= 2.369427 lam= -0.577957 E( 4 )= -1.8691 eV Re[Sigma]= 217.307271 meV Im[Sigma]= 334.782931 meV Z= 2.105720 lam= -0.525103 E( 5 )= 1.0492 eV Re[Sigma]= 103.429959 meV Im[Sigma]= 389.051591 meV Z= 1.204186 lam= -0.169563 E( 6 )= 1.1242 eV Re[Sigma]= 151.270479 meV Im[Sigma]= 462.881922 meV Z= 1.431685 lam= -0.301522 E( 7 )= 4.0221 eV Re[Sigma]= 389.697627 meV Im[Sigma]= 807.601216 meV Z= -6.534224 lam= -1.153040 E( 8 )= 4.0609 eV Re[Sigma]= 483.430147 meV Im[Sigma]= 882.457561 meV Z= -2.407045 lam= -1.415447 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -9.2916 eV Re[Sigma]= -1209.424759 meV Im[Sigma]= 265.086657 meV Z= 0.606075 lam= 0.649962 E( 2 )= -9.2916 eV Re[Sigma]= -1209.424759 meV Im[Sigma]= 265.086657 meV Z= 0.606075 lam= 0.649962 E( 3 )= -0.6078 eV Re[Sigma]= 100.514296 meV Im[Sigma]= 95.717336 meV Z= 0.911429 lam= 0.097179 E( 4 )= -0.6078 eV Re[Sigma]= 100.514296 meV Im[Sigma]= 95.717336 meV Z= 0.911429 lam= 0.097179 E( 5 )= 2.2063 eV Re[Sigma]= 85.605186 meV Im[Sigma]= 157.963720 meV Z= 0.806570 lam= 0.239818 E( 6 )= 2.2063 eV Re[Sigma]= 85.605186 meV Im[Sigma]= 157.963720 meV Z= 0.806570 lam= 0.239818 E( 7 )= 3.4267 eV Re[Sigma]= 237.817142 meV Im[Sigma]= 185.414825 meV Z= 0.981037 lam= 0.019330 E( 8 )= 3.4267 eV Re[Sigma]= 237.817142 meV Im[Sigma]= 185.414825 meV Z= 0.981037 lam= 0.019330 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -10.1203 eV Re[Sigma]= -1124.916328 meV Im[Sigma]= 958.234918 meV Z= -1.373631 lam= -1.727998 E( 2 )= -10.1193 eV Re[Sigma]= -1123.500416 meV Im[Sigma]= 959.824483 meV Z= -1.357871 lam= -1.736447 E( 3 )= -0.0230 eV Re[Sigma]= 104.446513 meV Im[Sigma]= 595.497828 meV Z= -3.187333 lam= -1.313742 E( 4 )= 0.0250 eV Re[Sigma]= 172.954184 meV Im[Sigma]= 565.877098 meV Z= -15.964837 lam= -1.062638 E( 5 )= 3.8919 eV Re[Sigma]= 202.400863 meV Im[Sigma]= 493.477265 meV Z= 1.685082 lam= -0.406557 E( 6 )= 3.9455 eV Re[Sigma]= 232.442246 meV Im[Sigma]= 653.877464 meV Z= 12.299479 lam= -0.918696 E( 7 )= 5.5884 eV Re[Sigma]= 469.894399 meV Im[Sigma]= 447.100625 meV Z= 5.088375 lam= -0.803474 E( 8 )= 5.5902 eV Re[Sigma]= 472.060381 meV Im[Sigma]= 452.510874 meV Z= 5.364129 lam= -0.813576 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -10.0072 eV Re[Sigma]= -664.181679 meV Im[Sigma]= 1371.594800 meV Z= -0.998828 lam= -2.001173 E( 2 )= -10.0072 eV Re[Sigma]= -664.181679 meV Im[Sigma]= 1371.594800 meV Z= -0.998828 lam= -2.001173 E( 3 )= -1.9455 eV Re[Sigma]= 199.333628 meV Im[Sigma]= 210.687358 meV Z= 1.314538 lam= -0.239277 E( 4 )= -1.9455 eV Re[Sigma]= 199.333628 meV Im[Sigma]= 210.687358 meV Z= 1.314538 lam= -0.239277 E( 5 )= 4.7466 eV Re[Sigma]= 441.446880 meV Im[Sigma]= 288.510738 meV Z= 1.459771 lam= -0.314961 E( 6 )= 4.7466 eV Re[Sigma]= 441.446880 meV Im[Sigma]= 288.510738 meV Z= 1.459771 lam= -0.314961 E( 7 )= 6.7126 eV Re[Sigma]= 350.815168 meV Im[Sigma]= 103.012341 meV Z= 1.137453 lam= -0.120843 E( 8 )= 6.7126 eV Re[Sigma]= 350.815168 meV Im[Sigma]= 103.012341 meV Z= 1.137453 lam= -0.120843 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.773917 meV Im[Sigma]= 1017.187316 meV Z= -2.342631 lam= -1.426870 E( 2 )= -8.9136 eV Re[Sigma]= -1056.011333 meV Im[Sigma]= 1018.230430 meV Z= -2.328653 lam= -1.429433 E( 3 )= -3.2141 eV Re[Sigma]= 571.891661 meV Im[Sigma]= 754.157950 meV Z= -35.171821 lam= -1.028432 E( 4 )= -3.1889 eV Re[Sigma]= 599.699117 meV Im[Sigma]= 688.761268 meV Z= 4.892696 lam= -0.795614 E( 5 )= 2.4951 eV Re[Sigma]= -96.379182 meV Im[Sigma]= 593.599533 meV Z= 1.097953 lam= -0.089214 E( 6 )= 2.5270 eV Re[Sigma]= -98.451073 meV Im[Sigma]= 575.105620 meV Z= 0.869699 lam= 0.149823 E( 7 )= 5.4585 eV Re[Sigma]= 308.453775 meV Im[Sigma]= 318.691383 meV Z= 1.747451 lam= -0.427738 E( 8 )= 5.4623 eV Re[Sigma]= 310.380532 meV Im[Sigma]= 321.509860 meV Z= 1.784566 lam= -0.439640 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.4030 eV Re[Sigma]= -367.795661 meV Im[Sigma]= 891.762850 meV Z= 3.049730 lam= -0.672102 E( 2 )= -7.4030 eV Re[Sigma]= -367.795661 meV Im[Sigma]= 891.762850 meV Z= 3.049730 lam= -0.672102 E( 3 )= -2.5926 eV Re[Sigma]= 399.003614 meV Im[Sigma]= 98.047318 meV Z= 0.735629 lam= 0.359381 E( 4 )= -2.5926 eV Re[Sigma]= 399.003614 meV Im[Sigma]= 98.047318 meV Z= 0.735629 lam= 0.359381 E( 5 )= -1.5227 eV Re[Sigma]= 473.575856 meV Im[Sigma]= 158.339306 meV Z= 0.808855 lam= 0.236316 E( 6 )= -1.5227 eV Re[Sigma]= 473.575856 meV Im[Sigma]= 158.339306 meV Z= 0.808855 lam= 0.236316 E( 7 )= 3.4954 eV Re[Sigma]= 583.016094 meV Im[Sigma]= 462.296323 meV Z= 1.689272 lam= -0.408029 E( 8 )= 3.4954 eV Re[Sigma]= 583.016094 meV Im[Sigma]= 462.296323 meV Z= 1.689272 lam= -0.408029 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -7.6752 eV Re[Sigma]= -734.501285 meV Im[Sigma]= 1012.344916 meV Z= -3.560925 lam= -1.280826 E( 2 )= -7.6744 eV Re[Sigma]= -733.023651 meV Im[Sigma]= 1013.718306 meV Z= -3.534953 lam= -1.282889 E( 3 )= -3.2961 eV Re[Sigma]= 322.073613 meV Im[Sigma]= 533.541600 meV Z= 2.760156 lam= -0.637702 E( 4 )= -3.2767 eV Re[Sigma]= 344.632200 meV Im[Sigma]= 558.672593 meV Z= 6.302352 lam= -0.841329 E( 5 )= 0.5435 eV Re[Sigma]= 171.765671 meV Im[Sigma]= 391.546250 meV Z= 2.136137 lam= -0.531865 E( 6 )= 0.5635 eV Re[Sigma]= 190.242254 meV Im[Sigma]= 392.352162 meV Z= 2.096700 lam= -0.523060 E( 7 )= 2.3792 eV Re[Sigma]= -71.014839 meV Im[Sigma]= 521.161942 meV Z= 2.067318 lam= -0.516282 E( 8 )= 2.3795 eV Re[Sigma]= -72.138519 meV Im[Sigma]= 522.776181 meV Z= 2.106145 lam= -0.525199 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.6752 eV Re[Sigma]= -734.581152 meV Im[Sigma]= 1013.468787 meV Z= -3.529090 lam= -1.283359 E( 2 )= -7.6744 eV Re[Sigma]= -733.105605 meV Im[Sigma]= 1014.849360 meV Z= -3.503015 lam= -1.285468 E( 3 )= -3.2961 eV Re[Sigma]= 322.968286 meV Im[Sigma]= 535.938569 meV Z= 2.787393 lam= -0.641242 E( 4 )= -3.2767 eV Re[Sigma]= 345.444300 meV Im[Sigma]= 560.523714 meV Z= 6.324271 lam= -0.841879 E( 5 )= 0.5435 eV Re[Sigma]= 172.691450 meV Im[Sigma]= 390.605074 meV Z= 2.136428 lam= -0.531929 E( 6 )= 0.5635 eV Re[Sigma]= 190.799115 meV Im[Sigma]= 390.792508 meV Z= 2.091459 lam= -0.521865 E( 7 )= 2.3792 eV Re[Sigma]= -69.118081 meV Im[Sigma]= 524.695348 meV Z= 2.139858 lam= -0.532679 E( 8 )= 2.3795 eV Re[Sigma]= -70.039170 meV Im[Sigma]= 525.749641 meV Z= 2.174123 lam= -0.540044 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -740.334459 meV Im[Sigma]= 1239.249653 meV Z= -1.002101 lam= -1.997903 E( 2 )= -8.7077 eV Re[Sigma]= -735.545994 meV Im[Sigma]= 1231.214507 meV Z= -1.018271 lam= -1.982057 E( 3 )= -1.9248 eV Re[Sigma]= 192.790547 meV Im[Sigma]= 335.038998 meV Z= 2.417995 lam= -0.586434 E( 4 )= -1.8691 eV Re[Sigma]= 217.707439 meV Im[Sigma]= 336.623987 meV Z= 2.142219 lam= -0.533194 E( 5 )= 1.0492 eV Re[Sigma]= 105.808226 meV Im[Sigma]= 387.321771 meV Z= 1.206835 lam= -0.171386 E( 6 )= 1.1242 eV Re[Sigma]= 153.483964 meV Im[Sigma]= 458.483057 meV Z= 1.423164 lam= -0.297340 E( 7 )= 4.0221 eV Re[Sigma]= 396.241122 meV Im[Sigma]= 808.480619 meV Z= -6.189992 lam= -1.161551 E( 8 )= 4.0609 eV Re[Sigma]= 489.843455 meV Im[Sigma]= 878.307653 meV Z= -2.482799 lam= -1.402771 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.425822 meV Im[Sigma]= 1015.128091 meV Z= -2.359394 lam= -1.423838 E( 2 )= -8.9135 eV Re[Sigma]= -1055.189299 meV Im[Sigma]= 1016.774490 meV Z= -2.342204 lam= -1.426948 E( 3 )= -3.2145 eV Re[Sigma]= 568.073151 meV Im[Sigma]= 754.053073 meV Z= -31.675922 lam= -1.031570 E( 4 )= -3.1886 eV Re[Sigma]= 596.948438 meV Im[Sigma]= 687.223047 meV Z= 4.855777 lam= -0.794060 E( 5 )= 2.4955 eV Re[Sigma]= -98.114426 meV Im[Sigma]= 603.934216 meV Z= 1.098327 lam= -0.089524 E( 6 )= 2.5270 eV Re[Sigma]= -100.435758 meV Im[Sigma]= 585.213743 meV Z= 0.872324 lam= 0.146363 E( 7 )= 5.4585 eV Re[Sigma]= 302.775905 meV Im[Sigma]= 319.216361 meV Z= 1.740816 lam= -0.425557 E( 8 )= 5.4617 eV Re[Sigma]= 304.633269 meV Im[Sigma]= 321.227564 meV Z= 1.768201 lam= -0.434454 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -788.501503 meV Im[Sigma]= 532.257925 meV Z= 4.024680 lam= -0.751533 E( 2 )= -8.2690 eV Re[Sigma]= -787.258274 meV Im[Sigma]= 532.436038 meV Z= 4.022271 lam= -0.751384 E( 3 )= -4.6268 eV Re[Sigma]= 485.131145 meV Im[Sigma]= 250.671700 meV Z= 1.381203 lam= -0.275993 E( 4 )= -4.6137 eV Re[Sigma]= 491.987556 meV Im[Sigma]= 251.660948 meV Z= 1.379860 lam= -0.275289 E( 5 )= 2.8526 eV Re[Sigma]= 252.191952 meV Im[Sigma]= 1186.827717 meV Z= 3.421037 lam= -0.707691 E( 6 )= 2.8702 eV Re[Sigma]= 314.429441 meV Im[Sigma]= 1414.888589 meV Z= -1.238918 lam= -1.807156 E( 7 )= 4.6663 eV Re[Sigma]= 447.975120 meV Im[Sigma]= 270.535318 meV Z= 1.330293 lam= -0.248286 E( 8 )= 4.6703 eV Re[Sigma]= 450.000290 meV Im[Sigma]= 273.171934 meV Z= 1.362731 lam= -0.266179 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -709.127658 meV Im[Sigma]= 402.689614 meV Z= 1.764723 lam= -0.433339 E( 2 )= -7.3536 eV Re[Sigma]= -708.159336 meV Im[Sigma]= 399.758379 meV Z= 1.734612 lam= -0.423502 E( 3 )= -3.6171 eV Re[Sigma]= 110.775004 meV Im[Sigma]= 547.875559 meV Z= 3.521354 lam= -0.716018 E( 4 )= -3.6080 eV Re[Sigma]= 118.087730 meV Im[Sigma]= 565.888059 meV Z= 4.353278 lam= -0.770288 E( 5 )= -0.0412 eV Re[Sigma]= 113.546554 meV Im[Sigma]= 885.705986 meV Z= -1.216059 lam= -1.822329 E( 6 )= -0.0202 eV Re[Sigma]= 166.405090 meV Im[Sigma]= 905.510338 meV Z= -1.037578 lam= -1.963783 E( 7 )= 2.9592 eV Re[Sigma]= 358.191488 meV Im[Sigma]= 1631.902066 meV Z= -0.558375 lam= -2.790912 E( 8 )= 2.9909 eV Re[Sigma]= 449.266331 meV Im[Sigma]= 1367.900870 meV Z= -1.618913 lam= -1.617699 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -6.7924 eV Re[Sigma]= -679.783309 meV Im[Sigma]= 1.156324 meV Z= 0.655072 lam= 0.526550 E( 2 )= -6.7910 eV Re[Sigma]= -680.326429 meV Im[Sigma]= 1.113015 meV Z= 0.655427 lam= 0.525722 E( 3 )= -3.5384 eV Re[Sigma]= 44.186814 meV Im[Sigma]= 651.605925 meV Z= 1.993371 lam= -0.498337 E( 4 )= -3.5262 eV Re[Sigma]= 43.365333 meV Im[Sigma]= 689.340363 meV Z= 1.706821 lam= -0.414116 E( 5 )= -0.4626 eV Re[Sigma]= 22.077263 meV Im[Sigma]= 293.416291 meV Z= 1.253904 lam= -0.202491 E( 6 )= -0.4546 eV Re[Sigma]= 20.162846 meV Im[Sigma]= 289.749934 meV Z= 1.221328 lam= -0.181219 E( 7 )= 1.4120 eV Re[Sigma]= 407.340757 meV Im[Sigma]= 421.628496 meV Z= 1.151972 lam= -0.131923 E( 8 )= 1.4395 eV Re[Sigma]= 397.340569 meV Im[Sigma]= 355.666463 meV Z= 1.053451 lam= -0.050739 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.4030 eV Re[Sigma]= -367.783590 meV Im[Sigma]= 891.569210 meV Z= 3.048549 lam= -0.671975 E( 2 )= -7.4030 eV Re[Sigma]= -367.783590 meV Im[Sigma]= 891.569210 meV Z= 3.048549 lam= -0.671975 E( 3 )= -2.5926 eV Re[Sigma]= 396.768908 meV Im[Sigma]= 97.407040 meV Z= 0.735251 lam= 0.360080 E( 4 )= -2.5926 eV Re[Sigma]= 396.768908 meV Im[Sigma]= 97.407040 meV Z= 0.735251 lam= 0.360080 E( 5 )= -1.5227 eV Re[Sigma]= 473.065843 meV Im[Sigma]= 158.666540 meV Z= 0.813859 lam= 0.228714 E( 6 )= -1.5227 eV Re[Sigma]= 473.065843 meV Im[Sigma]= 158.666540 meV Z= 0.813859 lam= 0.228714 E( 7 )= 3.4954 eV Re[Sigma]= 584.325827 meV Im[Sigma]= 462.662221 meV Z= 1.689919 lam= -0.408256 E( 8 )= 3.4954 eV Re[Sigma]= 584.325827 meV Im[Sigma]= 462.662221 meV Z= 1.689919 lam= -0.408256 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -708.900061 meV Im[Sigma]= 402.783887 meV Z= 1.766112 lam= -0.433785 E( 2 )= -7.3536 eV Re[Sigma]= -707.857707 meV Im[Sigma]= 399.867218 meV Z= 1.736086 lam= -0.423992 E( 3 )= -3.6171 eV Re[Sigma]= 111.343711 meV Im[Sigma]= 546.776434 meV Z= 3.499048 lam= -0.714208 E( 4 )= -3.6080 eV Re[Sigma]= 118.091765 meV Im[Sigma]= 564.572506 meV Z= 4.286311 lam= -0.766699 E( 5 )= -0.0412 eV Re[Sigma]= 110.255302 meV Im[Sigma]= 879.014094 meV Z= -1.235849 lam= -1.809161 E( 6 )= -0.0202 eV Re[Sigma]= 163.271619 meV Im[Sigma]= 898.917786 meV Z= -1.053290 lam= -1.949406 E( 7 )= 2.9592 eV Re[Sigma]= 359.639578 meV Im[Sigma]= 1606.760142 meV Z= -0.572528 lam= -2.746639 E( 8 )= 2.9909 eV Re[Sigma]= 448.597762 meV Im[Sigma]= 1347.963483 meV Z= -1.669539 lam= -1.598968 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.4030 eV Re[Sigma]= -367.698533 meV Im[Sigma]= 891.452854 meV Z= 3.036486 lam= -0.670672 E( 2 )= -7.4030 eV Re[Sigma]= -367.698533 meV Im[Sigma]= 891.452854 meV Z= 3.036486 lam= -0.670672 E( 3 )= -2.5926 eV Re[Sigma]= 394.877951 meV Im[Sigma]= 98.261523 meV Z= 0.739434 lam= 0.352386 E( 4 )= -2.5926 eV Re[Sigma]= 394.877951 meV Im[Sigma]= 98.261523 meV Z= 0.739434 lam= 0.352386 E( 5 )= -1.5227 eV Re[Sigma]= 470.262270 meV Im[Sigma]= 158.965342 meV Z= 0.813620 lam= 0.229075 E( 6 )= -1.5227 eV Re[Sigma]= 470.262270 meV Im[Sigma]= 158.965342 meV Z= 0.813620 lam= 0.229075 E( 7 )= 3.4954 eV Re[Sigma]= 570.840630 meV Im[Sigma]= 459.793609 meV Z= 1.670434 lam= -0.401353 E( 8 )= 3.4954 eV Re[Sigma]= 570.840630 meV Im[Sigma]= 459.793609 meV Z= 1.670434 lam= -0.401353 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -7.3559 eV Re[Sigma]= -708.870895 meV Im[Sigma]= 403.612184 meV Z= 1.773580 lam= -0.436169 E( 2 )= -7.3533 eV Re[Sigma]= -707.631496 meV Im[Sigma]= 400.025581 meV Z= 1.736273 lam= -0.424054 E( 3 )= -3.6163 eV Re[Sigma]= 113.672520 meV Im[Sigma]= 544.460136 meV Z= 3.480003 lam= -0.712644 E( 4 )= -3.6087 eV Re[Sigma]= 119.186025 meV Im[Sigma]= 560.756933 meV Z= 4.157043 lam= -0.759444 E( 5 )= -0.0413 eV Re[Sigma]= 109.798628 meV Im[Sigma]= 890.932244 meV Z= -1.189061 lam= -1.841000 E( 6 )= -0.0204 eV Re[Sigma]= 163.807997 meV Im[Sigma]= 911.568601 meV Z= -1.013335 lam= -1.986840 E( 7 )= 2.9599 eV Re[Sigma]= 373.663252 meV Im[Sigma]= 1657.293033 meV Z= -0.544306 lam= -2.837203 E( 8 )= 2.9903 eV Re[Sigma]= 462.905871 meV Im[Sigma]= 1388.348700 meV Z= -1.540183 lam= -1.649274 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.4030 eV Re[Sigma]= -368.223602 meV Im[Sigma]= 891.029452 meV Z= 3.037453 lam= -0.670777 E( 2 )= -7.4030 eV Re[Sigma]= -368.223602 meV Im[Sigma]= 891.029452 meV Z= 3.037453 lam= -0.670777 E( 3 )= -2.5926 eV Re[Sigma]= 398.203715 meV Im[Sigma]= 99.460244 meV Z= 0.739664 lam= 0.351965 E( 4 )= -2.5926 eV Re[Sigma]= 398.203715 meV Im[Sigma]= 99.460244 meV Z= 0.739664 lam= 0.351965 E( 5 )= -1.5227 eV Re[Sigma]= 468.087964 meV Im[Sigma]= 163.086738 meV Z= 0.822244 lam= 0.216184 E( 6 )= -1.5227 eV Re[Sigma]= 468.087964 meV Im[Sigma]= 163.086738 meV Z= 0.822244 lam= 0.216184 E( 7 )= 3.4954 eV Re[Sigma]= 582.854406 meV Im[Sigma]= 479.034062 meV Z= 1.793420 lam= -0.442406 E( 8 )= 3.4954 eV Re[Sigma]= 582.854406 meV Im[Sigma]= 479.034062 meV Z= 1.793420 lam= -0.442406 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -708.868801 meV Im[Sigma]= 402.392351 meV Z= 1.762207 lam= -0.432530 E( 2 )= -7.3536 eV Re[Sigma]= -707.880445 meV Im[Sigma]= 399.487310 meV Z= 1.732454 lam= -0.422784 E( 3 )= -3.6171 eV Re[Sigma]= 111.996383 meV Im[Sigma]= 548.122368 meV Z= 3.565187 lam= -0.719510 E( 4 )= -3.6080 eV Re[Sigma]= 119.176382 meV Im[Sigma]= 565.812378 meV Z= 4.384990 lam= -0.771949 E( 5 )= -0.0412 eV Re[Sigma]= 114.283082 meV Im[Sigma]= 881.464319 meV Z= -1.236411 lam= -1.808793 E( 6 )= -0.0202 eV Re[Sigma]= 167.773591 meV Im[Sigma]= 901.689750 meV Z= -1.047822 lam= -1.954361 E( 7 )= 2.9592 eV Re[Sigma]= 354.494756 meV Im[Sigma]= 1613.100496 meV Z= -0.570485 lam= -2.752893 E( 8 )= 2.9909 eV Re[Sigma]= 443.715784 meV Im[Sigma]= 1353.140973 meV Z= -1.674790 lam= -1.597090 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.611685 meV Im[Sigma]= 1017.124572 meV Z= -2.344826 lam= -1.426471 E( 2 )= -8.9136 eV Re[Sigma]= -1055.864217 meV Im[Sigma]= 1018.210019 meV Z= -2.330388 lam= -1.429113 E( 3 )= -3.2141 eV Re[Sigma]= 571.564968 meV Im[Sigma]= 756.009104 meV Z= -30.327146 lam= -1.032974 E( 4 )= -3.1889 eV Re[Sigma]= 599.719844 meV Im[Sigma]= 690.090555 meV Z= 4.943183 lam= -0.797701 E( 5 )= 2.4951 eV Re[Sigma]= -91.638928 meV Im[Sigma]= 598.251040 meV Z= 1.109137 lam= -0.098398 E( 6 )= 2.5270 eV Re[Sigma]= -93.640544 meV Im[Sigma]= 577.977818 meV Z= 0.871898 lam= 0.146923 E( 7 )= 5.4585 eV Re[Sigma]= 306.445002 meV Im[Sigma]= 325.246631 meV Z= 1.780887 lam= -0.438482 E( 8 )= 5.4623 eV Re[Sigma]= 308.268641 meV Im[Sigma]= 328.511180 meV Z= 1.821374 lam= -0.450964 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -740.510653 meV Im[Sigma]= 1239.130170 meV Z= -1.003625 lam= -1.996388 E( 2 )= -8.7077 eV Re[Sigma]= -734.839404 meV Im[Sigma]= 1230.544296 meV Z= -1.020732 lam= -1.979689 E( 3 )= -1.9243 eV Re[Sigma]= 192.101904 meV Im[Sigma]= 335.707732 meV Z= 2.398215 lam= -0.583023 E( 4 )= -1.8692 eV Re[Sigma]= 218.196296 meV Im[Sigma]= 337.710072 meV Z= 2.131686 lam= -0.530888 E( 5 )= 1.0479 eV Re[Sigma]= 107.241577 meV Im[Sigma]= 386.564545 meV Z= 1.190187 lam= -0.159796 E( 6 )= 1.1243 eV Re[Sigma]= 155.612391 meV Im[Sigma]= 460.419046 meV Z= 1.415529 lam= -0.293551 E( 7 )= 4.0214 eV Re[Sigma]= 397.339191 meV Im[Sigma]= 801.591742 meV Z= -6.373429 lam= -1.156901 E( 8 )= 4.0623 eV Re[Sigma]= 494.723659 meV Im[Sigma]= 872.010402 meV Z= -2.468106 lam= -1.405169 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -735.100104 meV Im[Sigma]= 1011.537781 meV Z= -3.616636 lam= -1.276500 E( 2 )= -7.6743 eV Re[Sigma]= -733.710928 meV Im[Sigma]= 1012.995831 meV Z= -3.585624 lam= -1.278891 E( 3 )= -3.2961 eV Re[Sigma]= 319.471919 meV Im[Sigma]= 530.475459 meV Z= 2.749206 lam= -0.636259 E( 4 )= -3.2764 eV Re[Sigma]= 341.101766 meV Im[Sigma]= 555.709423 meV Z= 6.087910 lam= -0.835740 E( 5 )= 0.5424 eV Re[Sigma]= 166.271422 meV Im[Sigma]= 386.331378 meV Z= 2.066824 lam= -0.516166 E( 6 )= 0.5642 eV Re[Sigma]= 185.246272 meV Im[Sigma]= 386.450142 meV Z= 2.022957 lam= -0.505674 E( 7 )= 2.3784 eV Re[Sigma]= -65.093470 meV Im[Sigma]= 527.499248 meV Z= 2.186015 lam= -0.542547 E( 8 )= 2.3802 eV Re[Sigma]= -62.182800 meV Im[Sigma]= 531.405103 meV Z= 2.242894 lam= -0.554147 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -6.7933 eV Re[Sigma]= -679.487410 meV Im[Sigma]= 1.152699 meV Z= 0.655110 lam= 0.526461 E( 2 )= -6.7899 eV Re[Sigma]= -681.184953 meV Im[Sigma]= 1.113949 meV Z= 0.655438 lam= 0.525697 E( 3 )= -3.5364 eV Re[Sigma]= 46.149667 meV Im[Sigma]= 649.859756 meV Z= 1.916613 lam= -0.478246 E( 4 )= -3.5273 eV Re[Sigma]= 43.954112 meV Im[Sigma]= 683.143451 meV Z= 1.701921 lam= -0.412429 E( 5 )= -0.4605 eV Re[Sigma]= 24.513584 meV Im[Sigma]= 286.849367 meV Z= 1.238963 lam= -0.192873 E( 6 )= -0.4580 eV Re[Sigma]= 21.896506 meV Im[Sigma]= 284.289028 meV Z= 1.221129 lam= -0.181086 E( 7 )= 1.4150 eV Re[Sigma]= 405.216230 meV Im[Sigma]= 420.200932 meV Z= 1.142717 lam= -0.124893 E( 8 )= 1.4368 eV Re[Sigma]= 395.255563 meV Im[Sigma]= 359.093709 meV Z= 1.053533 lam= -0.050813 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.3559 eV Re[Sigma]= -708.687242 meV Im[Sigma]= 403.539028 meV Z= 1.772671 lam= -0.435880 E( 2 )= -7.3533 eV Re[Sigma]= -707.458602 meV Im[Sigma]= 399.935039 meV Z= 1.735305 lam= -0.423732 E( 3 )= -3.6163 eV Re[Sigma]= 112.686375 meV Im[Sigma]= 544.917672 meV Z= 3.486093 lam= -0.713146 E( 4 )= -3.6087 eV Re[Sigma]= 118.149312 meV Im[Sigma]= 561.105846 meV Z= 4.148238 lam= -0.758934 E( 5 )= -0.0413 eV Re[Sigma]= 109.596407 meV Im[Sigma]= 889.970276 meV Z= -1.197740 lam= -1.834906 E( 6 )= -0.0204 eV Re[Sigma]= 164.086727 meV Im[Sigma]= 911.030310 meV Z= -1.016049 lam= -1.984204 E( 7 )= 2.9599 eV Re[Sigma]= 368.396091 meV Im[Sigma]= 1643.765439 meV Z= -0.552910 lam= -2.808612 E( 8 )= 2.9903 eV Re[Sigma]= 457.168862 meV Im[Sigma]= 1378.386411 meV Z= -1.576219 lam= -1.634430 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -788.263079 meV Im[Sigma]= 531.966965 meV Z= 4.009494 lam= -0.750592 E( 2 )= -8.2690 eV Re[Sigma]= -787.015600 meV Im[Sigma]= 532.089699 meV Z= 4.004620 lam= -0.750288 E( 3 )= -4.6268 eV Re[Sigma]= 484.320821 meV Im[Sigma]= 252.052691 meV Z= 1.387792 lam= -0.279431 E( 4 )= -4.6137 eV Re[Sigma]= 491.250385 meV Im[Sigma]= 252.959303 meV Z= 1.385936 lam= -0.278466 E( 5 )= 2.8526 eV Re[Sigma]= 249.844720 meV Im[Sigma]= 1178.265481 meV Z= 3.251322 lam= -0.692433 E( 6 )= 2.8702 eV Re[Sigma]= 311.689846 meV Im[Sigma]= 1405.735086 meV Z= -1.272453 lam= -1.785884 E( 7 )= 4.6663 eV Re[Sigma]= 449.364095 meV Im[Sigma]= 268.331780 meV Z= 1.325189 lam= -0.245391 E( 8 )= 4.6703 eV Re[Sigma]= 451.299846 meV Im[Sigma]= 270.702397 meV Z= 1.356076 lam= -0.262578 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -8.2813 eV Re[Sigma]= -847.818298 meV Im[Sigma]= 28.842123 meV Z= 0.773231 lam= 0.293274 E( 2 )= -8.2813 eV Re[Sigma]= -847.818298 meV Im[Sigma]= 28.842123 meV Z= 0.773231 lam= 0.293274 E( 3 )= -6.0179 eV Re[Sigma]= 1571.035852 meV Im[Sigma]= 0.083262 meV Z= 0.506551 lam= 0.974136 E( 4 )= -6.0179 eV Re[Sigma]= 1571.035852 meV Im[Sigma]= 0.083262 meV Z= 0.506551 lam= 0.974136 E( 5 )= 4.2110 eV Re[Sigma]= 691.059919 meV Im[Sigma]= 1621.544823 meV Z= -0.508380 lam= -2.967032 E( 6 )= 4.2110 eV Re[Sigma]= 691.059919 meV Im[Sigma]= 1621.544823 meV Z= -0.508380 lam= -2.967032 E( 7 )= 6.1174 eV Re[Sigma]= 299.821275 meV Im[Sigma]= 24.804037 meV Z= 0.866200 lam= 0.154468 E( 8 )= 6.1174 eV Re[Sigma]= 299.821275 meV Im[Sigma]= 24.804037 meV Z= 0.866200 lam= 0.154468 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -788.291953 meV Im[Sigma]= 532.335897 meV Z= 4.035473 lam= -0.752198 E( 2 )= -8.2690 eV Re[Sigma]= -787.107875 meV Im[Sigma]= 532.483773 meV Z= 4.030562 lam= -0.751896 E( 3 )= -4.6268 eV Re[Sigma]= 482.282316 meV Im[Sigma]= 250.306658 meV Z= 1.377597 lam= -0.274099 E( 4 )= -4.6137 eV Re[Sigma]= 489.158402 meV Im[Sigma]= 251.298525 meV Z= 1.376162 lam= -0.273341 E( 5 )= 2.8526 eV Re[Sigma]= 243.245606 meV Im[Sigma]= 1185.893798 meV Z= 3.145457 lam= -0.682081 E( 6 )= 2.8702 eV Re[Sigma]= 306.372545 meV Im[Sigma]= 1420.435147 meV Z= -1.235146 lam= -1.809621 E( 7 )= 4.6663 eV Re[Sigma]= 439.677775 meV Im[Sigma]= 275.547545 meV Z= 1.368620 lam= -0.269337 E( 8 )= 4.6703 eV Re[Sigma]= 441.934584 meV Im[Sigma]= 277.595054 meV Z= 1.401339 lam= -0.286397 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -735.166582 meV Im[Sigma]= 1010.062738 meV Z= -3.650225 lam= -1.273956 E( 2 )= -7.6743 eV Re[Sigma]= -733.793244 meV Im[Sigma]= 1011.631772 meV Z= -3.614448 lam= -1.276667 E( 3 )= -3.2961 eV Re[Sigma]= 320.073470 meV Im[Sigma]= 526.889427 meV Z= 2.652701 lam= -0.623026 E( 4 )= -3.2764 eV Re[Sigma]= 342.222053 meV Im[Sigma]= 552.307750 meV Z= 5.737549 lam= -0.825710 E( 5 )= 0.5424 eV Re[Sigma]= 167.663547 meV Im[Sigma]= 388.254251 meV Z= 2.095205 lam= -0.522720 E( 6 )= 0.5642 eV Re[Sigma]= 186.590157 meV Im[Sigma]= 388.445856 meV Z= 2.047623 lam= -0.511629 E( 7 )= 2.3784 eV Re[Sigma]= -64.292601 meV Im[Sigma]= 523.857262 meV Z= 2.132215 lam= -0.531004 E( 8 )= 2.3802 eV Re[Sigma]= -61.203138 meV Im[Sigma]= 528.312672 meV Z= 2.200545 lam= -0.545567 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -6.6812 eV Re[Sigma]= -672.337136 meV Im[Sigma]= 0.820703 meV Z= 0.767666 lam= 0.302649 E( 2 )= -6.6812 eV Re[Sigma]= -672.337136 meV Im[Sigma]= 0.820703 meV Z= 0.767666 lam= 0.302649 E( 3 )= -4.8809 eV Re[Sigma]= 993.085468 meV Im[Sigma]= 47.295080 meV Z= 0.649853 lam= 0.538810 E( 4 )= -4.8809 eV Re[Sigma]= 993.085468 meV Im[Sigma]= 47.295080 meV Z= 0.649853 lam= 0.538810 E( 5 )= 0.5426 eV Re[Sigma]= 312.239271 meV Im[Sigma]= 14.240699 meV Z= 0.636006 lam= 0.572312 E( 6 )= 0.5426 eV Re[Sigma]= 312.239271 meV Im[Sigma]= 14.240699 meV Z= 0.636006 lam= 0.572312 E( 7 )= 1.7131 eV Re[Sigma]= 321.252587 meV Im[Sigma]= 10.662757 meV Z= 0.775631 lam= 0.289273 E( 8 )= 1.7131 eV Re[Sigma]= 321.252587 meV Im[Sigma]= 10.662757 meV Z= 0.775631 lam= 0.289273 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -734.731017 meV Im[Sigma]= 1014.235113 meV Z= -3.525091 lam= -1.283681 E( 2 )= -7.6743 eV Re[Sigma]= -733.386374 meV Im[Sigma]= 1015.632990 meV Z= -3.497920 lam= -1.285884 E( 3 )= -3.2961 eV Re[Sigma]= 320.937876 meV Im[Sigma]= 536.342731 meV Z= 2.858776 lam= -0.650200 E( 4 )= -3.2764 eV Re[Sigma]= 343.437072 meV Im[Sigma]= 561.035298 meV Z= 6.653991 lam= -0.849714 E( 5 )= 0.5424 eV Re[Sigma]= 174.300144 meV Im[Sigma]= 383.727407 meV Z= 2.050999 lam= -0.512433 E( 6 )= 0.5642 eV Re[Sigma]= 193.069561 meV Im[Sigma]= 384.388231 meV Z= 2.016038 lam= -0.503978 E( 7 )= 2.3784 eV Re[Sigma]= -70.359047 meV Im[Sigma]= 529.496862 meV Z= 2.126175 lam= -0.529672 E( 8 )= 2.3802 eV Re[Sigma]= -67.824674 meV Im[Sigma]= 531.134893 meV Z= 2.151423 lam= -0.535191 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -788.859132 meV Im[Sigma]= 531.004557 meV Z= 3.981222 lam= -0.748821 E( 2 )= -8.2690 eV Re[Sigma]= -787.616732 meV Im[Sigma]= 531.176935 meV Z= 3.978446 lam= -0.748646 E( 3 )= -4.6268 eV Re[Sigma]= 485.454129 meV Im[Sigma]= 251.685879 meV Z= 1.386958 lam= -0.278997 E( 4 )= -4.6137 eV Re[Sigma]= 492.481094 meV Im[Sigma]= 252.576913 meV Z= 1.384782 lam= -0.277865 E( 5 )= 2.8526 eV Re[Sigma]= 263.692398 meV Im[Sigma]= 1192.097054 meV Z= 3.433060 lam= -0.708715 E( 6 )= 2.8702 eV Re[Sigma]= 325.104846 meV Im[Sigma]= 1418.211405 meV Z= -1.249780 lam= -1.800141 E( 7 )= 4.6663 eV Re[Sigma]= 446.390870 meV Im[Sigma]= 270.490378 meV Z= 1.352630 lam= -0.260699 E( 8 )= 4.6703 eV Re[Sigma]= 449.534974 meV Im[Sigma]= 272.446755 meV Z= 1.382258 lam= -0.276546 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -8.2709 eV Re[Sigma]= -788.887677 meV Im[Sigma]= 532.028769 meV Z= 4.018210 lam= -0.751133 E( 2 )= -8.2690 eV Re[Sigma]= -787.753497 meV Im[Sigma]= 532.094809 meV Z= 4.012188 lam= -0.750759 E( 3 )= -4.6267 eV Re[Sigma]= 484.952049 meV Im[Sigma]= 250.929118 meV Z= 1.383200 lam= -0.277039 E( 4 )= -4.6138 eV Re[Sigma]= 491.893646 meV Im[Sigma]= 252.005459 meV Z= 1.381980 lam= -0.276400 E( 5 )= 2.8539 eV Re[Sigma]= 266.686864 meV Im[Sigma]= 1184.845368 meV Z= 3.176959 lam= -0.685234 E( 6 )= 2.8692 eV Re[Sigma]= 325.238186 meV Im[Sigma]= 1408.033064 meV Z= -1.320867 lam= -1.757079 E( 7 )= 4.6673 eV Re[Sigma]= 444.970661 meV Im[Sigma]= 285.067627 meV Z= 1.433782 lam= -0.302544 E( 8 )= 4.6689 eV Re[Sigma]= 446.541642 meV Im[Sigma]= 286.589495 meV Z= 1.456339 lam= -0.313347 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.348046 meV Im[Sigma]= 1015.383012 meV Z= -2.347915 lam= -1.425910 E( 2 )= -8.9135 eV Re[Sigma]= -1055.131705 meV Im[Sigma]= 1017.066882 meV Z= -2.330504 lam= -1.429092 E( 3 )= -3.2145 eV Re[Sigma]= 569.524182 meV Im[Sigma]= 755.447288 meV Z= -31.665392 lam= -1.031580 E( 4 )= -3.1886 eV Re[Sigma]= 598.285469 meV Im[Sigma]= 689.337821 meV Z= 4.881093 lam= -0.795128 E( 5 )= 2.4955 eV Re[Sigma]= -75.693121 meV Im[Sigma]= 592.818300 meV Z= 1.113912 lam= -0.102263 E( 6 )= 2.5270 eV Re[Sigma]= -76.855369 meV Im[Sigma]= 572.295135 meV Z= 0.883127 lam= 0.132340 E( 7 )= 5.4585 eV Re[Sigma]= 306.850390 meV Im[Sigma]= 317.498301 meV Z= 1.730853 lam= -0.422250 E( 8 )= 5.4617 eV Re[Sigma]= 308.835895 meV Im[Sigma]= 319.349951 meV Z= 1.756375 lam= -0.430646 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -8.7096 eV Re[Sigma]= -740.102910 meV Im[Sigma]= 1236.547521 meV Z= -1.007604 lam= -1.992453 E( 2 )= -8.7082 eV Re[Sigma]= -736.250217 meV Im[Sigma]= 1231.053847 meV Z= -1.018774 lam= -1.981572 E( 3 )= -1.9254 eV Re[Sigma]= 194.348801 meV Im[Sigma]= 334.495373 meV Z= 2.404578 lam= -0.584127 E( 4 )= -1.8681 eV Re[Sigma]= 222.023937 meV Im[Sigma]= 336.762004 meV Z= 2.132903 lam= -0.531155 E( 5 )= 1.0479 eV Re[Sigma]= 112.650814 meV Im[Sigma]= 386.423370 meV Z= 1.202273 lam= -0.168242 E( 6 )= 1.1244 eV Re[Sigma]= 161.958814 meV Im[Sigma]= 456.813981 meV Z= 1.419741 lam= -0.295646 E( 7 )= 4.0215 eV Re[Sigma]= 400.753806 meV Im[Sigma]= 821.928621 meV Z= -4.870679 lam= -1.205310 E( 8 )= 4.0621 eV Re[Sigma]= 498.377454 meV Im[Sigma]= 880.208199 meV Z= -2.495107 lam= -1.400784 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -735.321993 meV Im[Sigma]= 1012.531929 meV Z= -3.567197 lam= -1.280332 E( 2 )= -7.6743 eV Re[Sigma]= -733.966321 meV Im[Sigma]= 1014.101412 meV Z= -3.532858 lam= -1.283057 E( 3 )= -3.2961 eV Re[Sigma]= 320.912239 meV Im[Sigma]= 530.581735 meV Z= 2.735848 lam= -0.634483 E( 4 )= -3.2764 eV Re[Sigma]= 343.455304 meV Im[Sigma]= 555.386590 meV Z= 6.023184 lam= -0.833975 E( 5 )= 0.5424 eV Re[Sigma]= 166.897907 meV Im[Sigma]= 385.800547 meV Z= 2.075391 lam= -0.518163 E( 6 )= 0.5642 eV Re[Sigma]= 185.356670 meV Im[Sigma]= 386.057496 meV Z= 2.030150 lam= -0.507426 E( 7 )= 2.3784 eV Re[Sigma]= -62.923461 meV Im[Sigma]= 525.473069 meV Z= 2.195791 lam= -0.544583 E( 8 )= 2.3802 eV Re[Sigma]= -59.716008 meV Im[Sigma]= 529.155029 meV Z= 2.250682 lam= -0.555690 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -6.7922 eV Re[Sigma]= -679.673828 meV Im[Sigma]= 1.145207 meV Z= 0.655202 lam= 0.526247 E( 2 )= -6.7909 eV Re[Sigma]= -680.291340 meV Im[Sigma]= 1.121157 meV Z= 0.655551 lam= 0.525435 E( 3 )= -3.5378 eV Re[Sigma]= 44.081310 meV Im[Sigma]= 648.382927 meV Z= 1.948128 lam= -0.486687 E( 4 )= -3.5264 eV Re[Sigma]= 43.449197 meV Im[Sigma]= 684.281875 meV Z= 1.681767 lam= -0.405387 E( 5 )= -0.4630 eV Re[Sigma]= 23.248621 meV Im[Sigma]= 288.095585 meV Z= 1.245944 lam= -0.197396 E( 6 )= -0.4548 eV Re[Sigma]= 21.189113 meV Im[Sigma]= 285.077394 meV Z= 1.216366 lam= -0.177879 E( 7 )= 1.4118 eV Re[Sigma]= 400.304029 meV Im[Sigma]= 424.349293 meV Z= 1.147732 lam= -0.128716 E( 8 )= 1.4397 eV Re[Sigma]= 391.037591 meV Im[Sigma]= 357.848508 meV Z= 1.053820 lam= -0.051071 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -708.690550 meV Im[Sigma]= 403.225501 meV Z= 1.769067 lam= -0.434730 E( 2 )= -7.3536 eV Re[Sigma]= -707.641131 meV Im[Sigma]= 400.305079 meV Z= 1.738847 lam= -0.424906 E( 3 )= -3.6171 eV Re[Sigma]= 112.942397 meV Im[Sigma]= 550.613674 meV Z= 3.637274 lam= -0.725069 E( 4 )= -3.6080 eV Re[Sigma]= 119.565582 meV Im[Sigma]= 567.711177 meV Z= 4.424502 lam= -0.773986 E( 5 )= -0.0412 eV Re[Sigma]= 109.443313 meV Im[Sigma]= 882.901584 meV Z= -1.218815 lam= -1.820469 E( 6 )= -0.0202 eV Re[Sigma]= 162.473417 meV Im[Sigma]= 902.591663 meV Z= -1.039736 lam= -1.961783 E( 7 )= 2.9592 eV Re[Sigma]= 384.080059 meV Im[Sigma]= 1672.986611 meV Z= -0.533908 lam= -2.872983 E( 8 )= 2.9909 eV Re[Sigma]= 476.486313 meV Im[Sigma]= 1398.853758 meV Z= -1.510214 lam= -1.662158 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.6752 eV Re[Sigma]= -735.585698 meV Im[Sigma]= 1013.795295 meV Z= -3.544990 lam= -1.282088 E( 2 )= -7.6744 eV Re[Sigma]= -733.961418 meV Im[Sigma]= 1015.105019 meV Z= -3.519885 lam= -1.284100 E( 3 )= -3.2961 eV Re[Sigma]= 321.827205 meV Im[Sigma]= 532.673430 meV Z= 2.783638 lam= -0.640758 E( 4 )= -3.2767 eV Re[Sigma]= 344.458987 meV Im[Sigma]= 557.571151 meV Z= 6.276174 lam= -0.840667 E( 5 )= 0.5435 eV Re[Sigma]= 169.273290 meV Im[Sigma]= 387.879389 meV Z= 2.096648 lam= -0.523048 E( 6 )= 0.5635 eV Re[Sigma]= 187.397153 meV Im[Sigma]= 388.304168 meV Z= 2.057490 lam= -0.513971 E( 7 )= 2.3792 eV Re[Sigma]= -67.486480 meV Im[Sigma]= 531.393290 meV Z= 2.155338 lam= -0.536036 E( 8 )= 2.3795 eV Re[Sigma]= -68.676260 meV Im[Sigma]= 531.020567 meV Z= 2.161238 lam= -0.537302 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -741.038914 meV Im[Sigma]= 1238.688583 meV Z= -1.002003 lam= -1.998001 E( 2 )= -8.7077 eV Re[Sigma]= -736.077350 meV Im[Sigma]= 1230.760862 meV Z= -1.018263 lam= -1.982064 E( 3 )= -1.9248 eV Re[Sigma]= 191.524754 meV Im[Sigma]= 335.609777 meV Z= 2.424586 lam= -0.587559 E( 4 )= -1.8691 eV Re[Sigma]= 217.769641 meV Im[Sigma]= 337.302680 meV Z= 2.145849 lam= -0.533984 E( 5 )= 1.0492 eV Re[Sigma]= 116.572088 meV Im[Sigma]= 391.314931 meV Z= 1.212230 lam= -0.175074 E( 6 )= 1.1242 eV Re[Sigma]= 165.072198 meV Im[Sigma]= 462.727510 meV Z= 1.437350 lam= -0.304275 E( 7 )= 4.0221 eV Re[Sigma]= 395.088946 meV Im[Sigma]= 815.194214 meV Z= -5.394313 lam= -1.185380 E( 8 )= 4.0609 eV Re[Sigma]= 490.171332 meV Im[Sigma]= 879.261190 meV Z= -2.484336 lam= -1.402522 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.497993 meV Im[Sigma]= 1015.859888 meV Z= -2.341672 lam= -1.427045 E( 2 )= -8.9135 eV Re[Sigma]= -1055.287375 meV Im[Sigma]= 1017.567721 meV Z= -2.324154 lam= -1.430264 E( 3 )= -3.2145 eV Re[Sigma]= 568.108837 meV Im[Sigma]= 755.347574 meV Z= -30.890108 lam= -1.032373 E( 4 )= -3.1886 eV Re[Sigma]= 597.039957 meV Im[Sigma]= 688.333443 meV Z= 4.807185 lam= -0.791978 E( 5 )= 2.4955 eV Re[Sigma]= -79.573657 meV Im[Sigma]= 593.208518 meV Z= 1.111237 lam= -0.100102 E( 6 )= 2.5270 eV Re[Sigma]= -80.393306 meV Im[Sigma]= 573.514728 meV Z= 0.883155 lam= 0.132304 E( 7 )= 5.4585 eV Re[Sigma]= 304.390964 meV Im[Sigma]= 315.848489 meV Z= 1.726237 lam= -0.420705 E( 8 )= 5.4617 eV Re[Sigma]= 306.274695 meV Im[Sigma]= 317.664697 meV Z= 1.751568 lam= -0.429083 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -788.526339 meV Im[Sigma]= 531.957423 meV Z= 4.018326 lam= -0.751140 E( 2 )= -8.2690 eV Re[Sigma]= -787.342149 meV Im[Sigma]= 532.149929 meV Z= 4.015490 lam= -0.750964 E( 3 )= -4.6268 eV Re[Sigma]= 483.101469 meV Im[Sigma]= 250.292792 meV Z= 1.378333 lam= -0.274486 E( 4 )= -4.6137 eV Re[Sigma]= 489.867777 meV Im[Sigma]= 251.330655 meV Z= 1.377074 lam= -0.273823 E( 5 )= 2.8526 eV Re[Sigma]= 245.937427 meV Im[Sigma]= 1181.340239 meV Z= 2.978856 lam= -0.664301 E( 6 )= 2.8702 eV Re[Sigma]= 308.327858 meV Im[Sigma]= 1414.795654 meV Z= -1.268587 lam= -1.788278 E( 7 )= 4.6663 eV Re[Sigma]= 439.341167 meV Im[Sigma]= 280.040143 meV Z= 1.393713 lam= -0.282492 E( 8 )= 4.6703 eV Re[Sigma]= 441.951877 meV Im[Sigma]= 281.922467 meV Z= 1.425326 lam= -0.298406 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -709.066691 meV Im[Sigma]= 401.539954 meV Z= 1.757291 lam= -0.430942 E( 2 )= -7.3536 eV Re[Sigma]= -707.956200 meV Im[Sigma]= 398.620511 meV Z= 1.727668 lam= -0.421185 E( 3 )= -3.6171 eV Re[Sigma]= 109.360945 meV Im[Sigma]= 546.127540 meV Z= 3.457277 lam= -0.710755 E( 4 )= -3.6080 eV Re[Sigma]= 116.093992 meV Im[Sigma]= 563.773470 meV Z= 4.227184 lam= -0.763436 E( 5 )= -0.0412 eV Re[Sigma]= 106.704140 meV Im[Sigma]= 874.249943 meV Z= -1.260092 lam= -1.793593 E( 6 )= -0.0202 eV Re[Sigma]= 158.356058 meV Im[Sigma]= 893.415760 meV Z= -1.075573 lam= -1.929737 E( 7 )= 2.9592 eV Re[Sigma]= 357.146705 meV Im[Sigma]= 1601.336359 meV Z= -0.575088 lam= -2.738865 E( 8 )= 2.9909 eV Re[Sigma]= 446.598591 meV Im[Sigma]= 1344.496338 meV Z= -1.682151 lam= -1.594477 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -6.7924 eV Re[Sigma]= -679.727916 meV Im[Sigma]= 1.155397 meV Z= 0.655160 lam= 0.526344 E( 2 )= -6.7910 eV Re[Sigma]= -680.351775 meV Im[Sigma]= 1.112949 meV Z= 0.655527 lam= 0.525491 E( 3 )= -3.5384 eV Re[Sigma]= 41.926175 meV Im[Sigma]= 648.414286 meV Z= 1.963239 lam= -0.490638 E( 4 )= -3.5262 eV Re[Sigma]= 41.270991 meV Im[Sigma]= 686.847375 meV Z= 1.689854 lam= -0.408233 E( 5 )= -0.4626 eV Re[Sigma]= 24.463389 meV Im[Sigma]= 290.199491 meV Z= 1.248706 lam= -0.199171 E( 6 )= -0.4546 eV Re[Sigma]= 22.525926 meV Im[Sigma]= 286.730297 meV Z= 1.217429 lam= -0.178597 E( 7 )= 1.4120 eV Re[Sigma]= 402.867701 meV Im[Sigma]= 421.435990 meV Z= 1.134577 lam= -0.118614 E( 8 )= 1.4395 eV Re[Sigma]= 393.566601 meV Im[Sigma]= 353.718523 meV Z= 1.034604 lam= -0.033447 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.6815 eV Re[Sigma]= -672.203164 meV Im[Sigma]= 0.821186 meV Z= 0.767731 lam= 0.302540 E( 2 )= -6.6815 eV Re[Sigma]= -672.203164 meV Im[Sigma]= 0.821186 meV Z= 0.767731 lam= 0.302540 E( 3 )= -4.8810 eV Re[Sigma]= 993.243325 meV Im[Sigma]= 47.236155 meV Z= 0.649804 lam= 0.538925 E( 4 )= -4.8810 eV Re[Sigma]= 993.243325 meV Im[Sigma]= 47.236155 meV Z= 0.649804 lam= 0.538925 E( 5 )= 0.5418 eV Re[Sigma]= 312.251076 meV Im[Sigma]= 14.251285 meV Z= 0.635776 lam= 0.572882 E( 6 )= 0.5418 eV Re[Sigma]= 312.251076 meV Im[Sigma]= 14.251285 meV Z= 0.635776 lam= 0.572882 E( 7 )= 1.7143 eV Re[Sigma]= 320.484205 meV Im[Sigma]= 10.456090 meV Z= 0.775700 lam= 0.289159 E( 8 )= 1.7143 eV Re[Sigma]= 320.484205 meV Im[Sigma]= 10.456090 meV Z= 0.775700 lam= 0.289159 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -7.6752 eV Re[Sigma]= -735.369145 meV Im[Sigma]= 1014.097319 meV Z= -3.527351 lam= -1.283499 E( 2 )= -7.6744 eV Re[Sigma]= -733.736980 meV Im[Sigma]= 1015.451451 meV Z= -3.500459 lam= -1.285677 E( 3 )= -3.2961 eV Re[Sigma]= 322.231742 meV Im[Sigma]= 534.746642 meV Z= 2.854729 lam= -0.649704 E( 4 )= -3.2767 eV Re[Sigma]= 344.928497 meV Im[Sigma]= 559.174718 meV Z= 6.542917 lam= -0.847163 E( 5 )= 0.5435 eV Re[Sigma]= 169.446837 meV Im[Sigma]= 388.802537 meV Z= 2.104120 lam= -0.524742 E( 6 )= 0.5635 eV Re[Sigma]= 187.518766 meV Im[Sigma]= 389.286739 meV Z= 2.065063 lam= -0.515753 E( 7 )= 2.3792 eV Re[Sigma]= -66.471961 meV Im[Sigma]= 527.405458 meV Z= 2.148491 lam= -0.534557 E( 8 )= 2.3795 eV Re[Sigma]= -67.332503 meV Im[Sigma]= 528.639663 meV Z= 2.178379 lam= -0.540943 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -8.2709 eV Re[Sigma]= -788.961752 meV Im[Sigma]= 531.003184 meV Z= 3.982589 lam= -0.748907 E( 2 )= -8.2690 eV Re[Sigma]= -787.823537 meV Im[Sigma]= 531.067137 meV Z= 3.976951 lam= -0.748551 E( 3 )= -4.6267 eV Re[Sigma]= 485.078307 meV Im[Sigma]= 252.259423 meV Z= 1.390133 lam= -0.280644 E( 4 )= -4.6138 eV Re[Sigma]= 492.044002 meV Im[Sigma]= 253.290998 meV Z= 1.388662 lam= -0.279882 E( 5 )= 2.8539 eV Re[Sigma]= 257.792718 meV Im[Sigma]= 1205.973481 meV Z= 3.776371 lam= -0.735195 E( 6 )= 2.8692 eV Re[Sigma]= 318.441030 meV Im[Sigma]= 1432.149195 meV Z= -1.219793 lam= -1.819811 E( 7 )= 4.6673 eV Re[Sigma]= 445.305883 meV Im[Sigma]= 278.334543 meV Z= 1.391955 lam= -0.281586 E( 8 )= 4.6689 eV Re[Sigma]= 446.891002 meV Im[Sigma]= 279.556554 meV Z= 1.411766 lam= -0.291667 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.2813 eV Re[Sigma]= -847.701579 meV Im[Sigma]= 28.843720 meV Z= 0.773284 lam= 0.293185 E( 2 )= -8.2813 eV Re[Sigma]= -847.701579 meV Im[Sigma]= 28.843720 meV Z= 0.773284 lam= 0.293185 E( 3 )= -6.0179 eV Re[Sigma]= 1571.700808 meV Im[Sigma]= 0.082027 meV Z= 0.506430 lam= 0.974608 E( 4 )= -6.0179 eV Re[Sigma]= 1571.700808 meV Im[Sigma]= 0.082027 meV Z= 0.506430 lam= 0.974608 E( 5 )= 4.2110 eV Re[Sigma]= 692.016230 meV Im[Sigma]= 1622.900240 meV Z= -0.508419 lam= -2.966882 E( 6 )= 4.2110 eV Re[Sigma]= 692.016230 meV Im[Sigma]= 1622.900240 meV Z= -0.508419 lam= -2.966882 E( 7 )= 6.1174 eV Re[Sigma]= 300.001654 meV Im[Sigma]= 24.582556 meV Z= 0.866070 lam= 0.154641 E( 8 )= 6.1174 eV Re[Sigma]= 300.001654 meV Im[Sigma]= 24.582556 meV Z= 0.866070 lam= 0.154641 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -8.2709 eV Re[Sigma]= -788.415816 meV Im[Sigma]= 532.281687 meV Z= 4.030783 lam= -0.751909 E( 2 )= -8.2690 eV Re[Sigma]= -787.338244 meV Im[Sigma]= 532.336513 meV Z= 4.022851 lam= -0.751420 E( 3 )= -4.6267 eV Re[Sigma]= 483.973180 meV Im[Sigma]= 250.074283 meV Z= 1.376152 lam= -0.273336 E( 4 )= -4.6138 eV Re[Sigma]= 490.567063 meV Im[Sigma]= 251.282728 meV Z= 1.375601 lam= -0.273045 E( 5 )= 2.8539 eV Re[Sigma]= 236.822411 meV Im[Sigma]= 1194.883681 meV Z= 3.451524 lam= -0.710273 E( 6 )= 2.8692 eV Re[Sigma]= 298.888483 meV Im[Sigma]= 1426.962931 meV Z= -1.225243 lam= -1.816165 E( 7 )= 4.6673 eV Re[Sigma]= 441.477204 meV Im[Sigma]= 276.462416 meV Z= 1.364394 lam= -0.267074 E( 8 )= 4.6689 eV Re[Sigma]= 442.277952 meV Im[Sigma]= 277.813028 meV Z= 1.385759 lam= -0.278374 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -7.6752 eV Re[Sigma]= -735.166044 meV Im[Sigma]= 1011.393278 meV Z= -3.602556 lam= -1.277581 E( 2 )= -7.6744 eV Re[Sigma]= -733.612950 meV Im[Sigma]= 1012.725097 meV Z= -3.576800 lam= -1.279579 E( 3 )= -3.2961 eV Re[Sigma]= 318.746868 meV Im[Sigma]= 531.445829 meV Z= 2.715527 lam= -0.631747 E( 4 )= -3.2767 eV Re[Sigma]= 340.667244 meV Im[Sigma]= 557.044322 meV Z= 6.007612 lam= -0.833545 E( 5 )= 0.5435 eV Re[Sigma]= 172.213090 meV Im[Sigma]= 388.022236 meV Z= 2.099201 lam= -0.523628 E( 6 )= 0.5635 eV Re[Sigma]= 190.657575 meV Im[Sigma]= 388.365419 meV Z= 2.056082 lam= -0.513638 E( 7 )= 2.3792 eV Re[Sigma]= -64.846043 meV Im[Sigma]= 524.436486 meV Z= 2.176824 lam= -0.540615 E( 8 )= 2.3795 eV Re[Sigma]= -65.969868 meV Im[Sigma]= 524.484928 meV Z= 2.190735 lam= -0.543532 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.6752 eV Re[Sigma]= -735.465376 meV Im[Sigma]= 1013.357714 meV Z= -3.539516 lam= -1.282525 E( 2 )= -7.6744 eV Re[Sigma]= -733.907774 meV Im[Sigma]= 1014.686606 meV Z= -3.515007 lam= -1.284494 E( 3 )= -3.2961 eV Re[Sigma]= 320.270540 meV Im[Sigma]= 534.723955 meV Z= 2.787929 lam= -0.641311 E( 4 )= -3.2767 eV Re[Sigma]= 342.355362 meV Im[Sigma]= 559.302074 meV Z= 6.193991 lam= -0.838553 E( 5 )= 0.5435 eV Re[Sigma]= 170.780123 meV Im[Sigma]= 386.645420 meV Z= 2.088601 lam= -0.521211 E( 6 )= 0.5635 eV Re[Sigma]= 188.822639 meV Im[Sigma]= 386.607899 meV Z= 2.044077 lam= -0.510782 E( 7 )= 2.3792 eV Re[Sigma]= -64.890158 meV Im[Sigma]= 529.849792 meV Z= 2.285926 lam= -0.562540 E( 8 )= 2.3795 eV Re[Sigma]= -66.008324 meV Im[Sigma]= 529.413149 meV Z= 2.295493 lam= -0.564364 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -6.7924 eV Re[Sigma]= -679.630912 meV Im[Sigma]= 1.152803 meV Z= 0.655184 lam= 0.526288 E( 2 )= -6.7910 eV Re[Sigma]= -680.257471 meV Im[Sigma]= 1.109140 meV Z= 0.655541 lam= 0.525457 E( 3 )= -3.5384 eV Re[Sigma]= 44.492102 meV Im[Sigma]= 648.293996 meV Z= 1.969283 lam= -0.492201 E( 4 )= -3.5262 eV Re[Sigma]= 44.063279 meV Im[Sigma]= 685.635941 meV Z= 1.687187 lam= -0.407297 E( 5 )= -0.4626 eV Re[Sigma]= 23.400951 meV Im[Sigma]= 290.236542 meV Z= 1.251910 lam= -0.201221 E( 6 )= -0.4546 eV Re[Sigma]= 21.131850 meV Im[Sigma]= 287.306368 meV Z= 1.221770 lam= -0.181515 E( 7 )= 1.4120 eV Re[Sigma]= 400.057579 meV Im[Sigma]= 423.972385 meV Z= 1.152832 lam= -0.132571 E( 8 )= 1.4395 eV Re[Sigma]= 390.723247 meV Im[Sigma]= 358.170749 meV Z= 1.058421 lam= -0.055197 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -708.620118 meV Im[Sigma]= 403.257632 meV Z= 1.769541 lam= -0.434882 E( 2 )= -7.3536 eV Re[Sigma]= -707.554926 meV Im[Sigma]= 400.369028 meV Z= 1.739593 lam= -0.425153 E( 3 )= -3.6171 eV Re[Sigma]= 113.597562 meV Im[Sigma]= 549.150224 meV Z= 3.584537 lam= -0.721024 E( 4 )= -3.6080 eV Re[Sigma]= 120.169446 meV Im[Sigma]= 566.259489 meV Z= 4.340371 lam= -0.769605 E( 5 )= -0.0412 eV Re[Sigma]= 108.920822 meV Im[Sigma]= 885.561003 meV Z= -1.210968 lam= -1.825786 E( 6 )= -0.0202 eV Re[Sigma]= 162.827318 meV Im[Sigma]= 905.207625 meV Z= -1.032704 lam= -1.968332 E( 7 )= 2.9592 eV Re[Sigma]= 381.125721 meV Im[Sigma]= 1665.217920 meV Z= -0.538756 lam= -2.856126 E( 8 )= 2.9909 eV Re[Sigma]= 473.085304 meV Im[Sigma]= 1392.821144 meV Z= -1.530601 lam= -1.653338 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -788.485757 meV Im[Sigma]= 531.936246 meV Z= 4.015834 lam= -0.750986 E( 2 )= -8.2690 eV Re[Sigma]= -787.239367 meV Im[Sigma]= 532.063291 meV Z= 4.011292 lam= -0.750704 E( 3 )= -4.6268 eV Re[Sigma]= 485.786859 meV Im[Sigma]= 251.118828 meV Z= 1.383966 lam= -0.277439 E( 4 )= -4.6137 eV Re[Sigma]= 492.883659 meV Im[Sigma]= 251.938129 meV Z= 1.381561 lam= -0.276181 E( 5 )= 2.8526 eV Re[Sigma]= 269.625741 meV Im[Sigma]= 1172.916972 meV Z= 2.877010 lam= -0.652417 E( 6 )= 2.8702 eV Re[Sigma]= 328.780793 meV Im[Sigma]= 1397.111848 meV Z= -1.359328 lam= -1.735657 E( 7 )= 4.6663 eV Re[Sigma]= 447.191155 meV Im[Sigma]= 279.824483 meV Z= 1.403381 lam= -0.287435 E( 8 )= 4.6703 eV Re[Sigma]= 450.279838 meV Im[Sigma]= 281.962339 meV Z= 1.436209 lam= -0.303723 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.676405 meV Im[Sigma]= 1015.375004 meV Z= -2.356103 lam= -1.424430 E( 2 )= -8.9135 eV Re[Sigma]= -1055.506913 meV Im[Sigma]= 1016.902994 meV Z= -2.339718 lam= -1.427402 E( 3 )= -3.2145 eV Re[Sigma]= 571.443349 meV Im[Sigma]= 755.113026 meV Z= -28.126224 lam= -1.035554 E( 4 )= -3.1886 eV Re[Sigma]= 600.201286 meV Im[Sigma]= 688.622399 meV Z= 4.960010 lam= -0.798388 E( 5 )= 2.4955 eV Re[Sigma]= -81.579106 meV Im[Sigma]= 598.157007 meV Z= 1.136566 lam= -0.120157 E( 6 )= 2.5270 eV Re[Sigma]= -82.702657 meV Im[Sigma]= 577.075532 meV Z= 0.895839 lam= 0.116272 E( 7 )= 5.4585 eV Re[Sigma]= 309.302524 meV Im[Sigma]= 314.312184 meV Z= 1.710354 lam= -0.415326 E( 8 )= 5.4617 eV Re[Sigma]= 311.311495 meV Im[Sigma]= 316.476917 meV Z= 1.737136 lam= -0.424340 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -740.437724 meV Im[Sigma]= 1238.596782 meV Z= -1.004210 lam= -1.995807 E( 2 )= -8.7077 eV Re[Sigma]= -735.599289 meV Im[Sigma]= 1230.613210 meV Z= -1.020524 lam= -1.979889 E( 3 )= -1.9248 eV Re[Sigma]= 195.251698 meV Im[Sigma]= 338.178899 meV Z= 2.466764 lam= -0.594611 E( 4 )= -1.8691 eV Re[Sigma]= 222.308728 meV Im[Sigma]= 340.434229 meV Z= 2.186167 lam= -0.542578 E( 5 )= 1.0492 eV Re[Sigma]= 112.178484 meV Im[Sigma]= 382.404804 meV Z= 1.183796 lam= -0.155260 E( 6 )= 1.1242 eV Re[Sigma]= 158.518943 meV Im[Sigma]= 455.102418 meV Z= 1.398835 lam= -0.285119 E( 7 )= 4.0221 eV Re[Sigma]= 404.751930 meV Im[Sigma]= 824.269958 meV Z= -4.861723 lam= -1.205688 E( 8 )= 4.0609 eV Re[Sigma]= 501.197288 meV Im[Sigma]= 882.155064 meV Z= -2.482198 lam= -1.402869 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -8.2709 eV Re[Sigma]= -788.739907 meV Im[Sigma]= 531.891591 meV Z= 4.012655 lam= -0.750788 E( 2 )= -8.2690 eV Re[Sigma]= -787.644939 meV Im[Sigma]= 531.960772 meV Z= 4.005415 lam= -0.750338 E( 3 )= -4.6267 eV Re[Sigma]= 484.076969 meV Im[Sigma]= 250.665895 meV Z= 1.380428 lam= -0.275587 E( 4 )= -4.6138 eV Re[Sigma]= 490.595623 meV Im[Sigma]= 251.846339 meV Z= 1.379643 lam= -0.275175 E( 5 )= 2.8539 eV Re[Sigma]= 240.462751 meV Im[Sigma]= 1193.702682 meV Z= 3.337310 lam= -0.700358 E( 6 )= 2.8692 eV Re[Sigma]= 302.283726 meV Im[Sigma]= 1426.326446 meV Z= -1.236446 lam= -1.808769 E( 7 )= 4.6673 eV Re[Sigma]= 440.514092 meV Im[Sigma]= 285.290795 meV Z= 1.406987 lam= -0.289261 E( 8 )= 4.6689 eV Re[Sigma]= 441.381133 meV Im[Sigma]= 286.816739 meV Z= 1.430323 lam= -0.300857 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -709.171427 meV Im[Sigma]= 401.439654 meV Z= 1.756481 lam= -0.430680 E( 2 )= -7.3536 eV Re[Sigma]= -708.080530 meV Im[Sigma]= 398.521620 meV Z= 1.726853 lam= -0.420912 E( 3 )= -3.6171 eV Re[Sigma]= 109.851871 meV Im[Sigma]= 546.850869 meV Z= 3.492438 lam= -0.713667 E( 4 )= -3.6080 eV Re[Sigma]= 116.651564 meV Im[Sigma]= 564.833880 meV Z= 4.295359 lam= -0.767191 E( 5 )= -0.0412 eV Re[Sigma]= 107.773692 meV Im[Sigma]= 873.214364 meV Z= -1.263962 lam= -1.791163 E( 6 )= -0.0202 eV Re[Sigma]= 159.219878 meV Im[Sigma]= 892.236342 meV Z= -1.079593 lam= -1.926275 E( 7 )= 2.9592 eV Re[Sigma]= 357.098436 meV Im[Sigma]= 1601.339516 meV Z= -0.574847 lam= -2.739592 E( 8 )= 2.9909 eV Re[Sigma]= 446.524977 meV Im[Sigma]= 1344.668470 meV Z= -1.676124 lam= -1.596615 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -6.7922 eV Re[Sigma]= -679.861408 meV Im[Sigma]= 1.150282 meV Z= 0.655152 lam= 0.526364 E( 2 )= -6.7909 eV Re[Sigma]= -680.444745 meV Im[Sigma]= 1.126129 meV Z= 0.655511 lam= 0.525527 E( 3 )= -3.5378 eV Re[Sigma]= 41.287585 meV Im[Sigma]= 649.021419 meV Z= 1.934792 lam= -0.483149 E( 4 )= -3.5264 eV Re[Sigma]= 40.446688 meV Im[Sigma]= 685.725050 meV Z= 1.676431 lam= -0.403495 E( 5 )= -0.4630 eV Re[Sigma]= 22.960038 meV Im[Sigma]= 289.963198 meV Z= 1.245362 lam= -0.197020 E( 6 )= -0.4548 eV Re[Sigma]= 20.904347 meV Im[Sigma]= 286.366516 meV Z= 1.213623 lam= -0.176021 E( 7 )= 1.4118 eV Re[Sigma]= 402.839220 meV Im[Sigma]= 423.824175 meV Z= 1.137670 lam= -0.121011 E( 8 )= 1.4397 eV Re[Sigma]= 393.512281 meV Im[Sigma]= 355.370880 meV Z= 1.038015 lam= -0.036623 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -734.717086 meV Im[Sigma]= 1014.150215 meV Z= -3.534561 lam= -1.282921 E( 2 )= -7.6743 eV Re[Sigma]= -733.325175 meV Im[Sigma]= 1015.471976 meV Z= -3.509866 lam= -1.284911 E( 3 )= -3.2961 eV Re[Sigma]= 321.360181 meV Im[Sigma]= 535.467795 meV Z= 2.822945 lam= -0.645760 E( 4 )= -3.2764 eV Re[Sigma]= 343.868291 meV Im[Sigma]= 561.040897 meV Z= 6.629865 lam= -0.849167 E( 5 )= 0.5424 eV Re[Sigma]= 172.739516 meV Im[Sigma]= 383.584809 meV Z= 2.050142 lam= -0.512229 E( 6 )= 0.5642 eV Re[Sigma]= 191.460395 meV Im[Sigma]= 384.163472 meV Z= 2.013933 lam= -0.503459 E( 7 )= 2.3784 eV Re[Sigma]= -70.928750 meV Im[Sigma]= 530.004851 meV Z= 2.101991 lam= -0.524261 E( 8 )= 2.3802 eV Re[Sigma]= -67.964177 meV Im[Sigma]= 533.388350 meV Z= 2.156388 lam= -0.536262 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -8.7096 eV Re[Sigma]= -740.138396 meV Im[Sigma]= 1236.653361 meV Z= -1.008525 lam= -1.991547 E( 2 )= -8.7082 eV Re[Sigma]= -736.518823 meV Im[Sigma]= 1231.034378 meV Z= -1.019850 lam= -1.980536 E( 3 )= -1.9254 eV Re[Sigma]= 190.672048 meV Im[Sigma]= 334.739142 meV Z= 2.410042 lam= -0.585069 E( 4 )= -1.8681 eV Re[Sigma]= 217.381308 meV Im[Sigma]= 336.195913 meV Z= 2.121559 lam= -0.528648 E( 5 )= 1.0479 eV Re[Sigma]= 106.745103 meV Im[Sigma]= 387.581398 meV Z= 1.207561 lam= -0.171884 E( 6 )= 1.1244 eV Re[Sigma]= 155.190653 meV Im[Sigma]= 463.288739 meV Z= 1.451961 lam= -0.311276 E( 7 )= 4.0215 eV Re[Sigma]= 393.925089 meV Im[Sigma]= 805.208650 meV Z= -6.579027 lam= -1.151998 E( 8 )= 4.0621 eV Re[Sigma]= 488.616311 meV Im[Sigma]= 874.415973 meV Z= -2.555474 lam= -1.391317 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1056.114616 meV Im[Sigma]= 1016.145682 meV Z= -2.347467 lam= -1.425991 E( 2 )= -8.9135 eV Re[Sigma]= -1055.923269 meV Im[Sigma]= 1017.638930 meV Z= -2.331471 lam= -1.428914 E( 3 )= -3.2145 eV Re[Sigma]= 569.895888 meV Im[Sigma]= 752.608404 meV Z= -32.959601 lam= -1.030340 E( 4 )= -3.1886 eV Re[Sigma]= 598.971200 meV Im[Sigma]= 685.778739 meV Z= 4.788431 lam= -0.791163 E( 5 )= 2.4955 eV Re[Sigma]= -84.374702 meV Im[Sigma]= 594.421013 meV Z= 1.118913 lam= -0.106276 E( 6 )= 2.5270 eV Re[Sigma]= -85.439604 meV Im[Sigma]= 574.962898 meV Z= 0.888657 lam= 0.125293 E( 7 )= 5.4585 eV Re[Sigma]= 306.353380 meV Im[Sigma]= 314.385756 meV Z= 1.711689 lam= -0.415782 E( 8 )= 5.4617 eV Re[Sigma]= 308.145125 meV Im[Sigma]= 316.781126 meV Z= 1.739857 lam= -0.425240 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -10.0072 eV Re[Sigma]= -664.121311 meV Im[Sigma]= 1371.800117 meV Z= -0.998436 lam= -2.001566 E( 2 )= -10.0072 eV Re[Sigma]= -664.121311 meV Im[Sigma]= 1371.800117 meV Z= -0.998436 lam= -2.001566 E( 3 )= -1.9455 eV Re[Sigma]= 198.449177 meV Im[Sigma]= 208.942848 meV Z= 1.304584 lam= -0.233472 E( 4 )= -1.9455 eV Re[Sigma]= 198.449177 meV Im[Sigma]= 208.942848 meV Z= 1.304584 lam= -0.233472 E( 5 )= 4.7466 eV Re[Sigma]= 441.161310 meV Im[Sigma]= 291.587587 meV Z= 1.475026 lam= -0.322046 E( 6 )= 4.7466 eV Re[Sigma]= 441.161310 meV Im[Sigma]= 291.587587 meV Z= 1.475026 lam= -0.322046 E( 7 )= 6.7126 eV Re[Sigma]= 354.321867 meV Im[Sigma]= 105.002374 meV Z= 1.140988 lam= -0.123567 E( 8 )= 6.7126 eV Re[Sigma]= 354.321867 meV Im[Sigma]= 105.002374 meV Z= 1.140988 lam= -0.123567 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.947616 meV Im[Sigma]= 1016.879423 meV Z= -2.342922 lam= -1.426817 E( 2 )= -8.9135 eV Re[Sigma]= -1055.686526 meV Im[Sigma]= 1018.473830 meV Z= -2.326132 lam= -1.429898 E( 3 )= -3.2145 eV Re[Sigma]= 572.932164 meV Im[Sigma]= 755.610029 meV Z= -36.574651 lam= -1.027341 E( 4 )= -3.1886 eV Re[Sigma]= 602.028725 meV Im[Sigma]= 689.228132 meV Z= 4.768756 lam= -0.790302 E( 5 )= 2.4955 eV Re[Sigma]= -96.774311 meV Im[Sigma]= 592.344826 meV Z= 1.061543 lam= -0.057975 E( 6 )= 2.5270 eV Re[Sigma]= -99.224152 meV Im[Sigma]= 574.382859 meV Z= 0.851041 lam= 0.175032 E( 7 )= 5.4585 eV Re[Sigma]= 303.900907 meV Im[Sigma]= 320.616554 meV Z= 1.754893 lam= -0.430165 E( 8 )= 5.4617 eV Re[Sigma]= 305.219395 meV Im[Sigma]= 322.986525 meV Z= 1.784749 lam= -0.439697 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.4030 eV Re[Sigma]= -367.462960 meV Im[Sigma]= 891.026362 meV Z= 3.033609 lam= -0.670360 E( 2 )= -7.4030 eV Re[Sigma]= -367.462960 meV Im[Sigma]= 891.026362 meV Z= 3.033609 lam= -0.670360 E( 3 )= -2.5926 eV Re[Sigma]= 403.516688 meV Im[Sigma]= 96.444917 meV Z= 0.728950 lam= 0.371836 E( 4 )= -2.5926 eV Re[Sigma]= 403.516688 meV Im[Sigma]= 96.444917 meV Z= 0.728950 lam= 0.371836 E( 5 )= -1.5227 eV Re[Sigma]= 466.880741 meV Im[Sigma]= 157.002485 meV Z= 0.810141 lam= 0.234354 E( 6 )= -1.5227 eV Re[Sigma]= 466.880741 meV Im[Sigma]= 157.002485 meV Z= 0.810141 lam= 0.234354 E( 7 )= 3.4954 eV Re[Sigma]= 577.449311 meV Im[Sigma]= 446.983284 meV Z= 1.583965 lam= -0.368673 E( 8 )= 3.4954 eV Re[Sigma]= 577.449311 meV Im[Sigma]= 446.983284 meV Z= 1.583965 lam= -0.368673 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -735.269663 meV Im[Sigma]= 1015.069762 meV Z= -3.495911 lam= -1.286048 E( 2 )= -7.6743 eV Re[Sigma]= -733.801220 meV Im[Sigma]= 1016.477441 meV Z= -3.466995 lam= -1.288434 E( 3 )= -3.2961 eV Re[Sigma]= 320.958072 meV Im[Sigma]= 538.227894 meV Z= 2.863137 lam= -0.650733 E( 4 )= -3.2764 eV Re[Sigma]= 344.058275 meV Im[Sigma]= 563.206945 meV Z= 6.868861 lam= -0.854415 E( 5 )= 0.5424 eV Re[Sigma]= 171.112423 meV Im[Sigma]= 392.580460 meV Z= 2.140657 lam= -0.532854 E( 6 )= 0.5642 eV Re[Sigma]= 190.955532 meV Im[Sigma]= 393.065226 meV Z= 2.105204 lam= -0.524987 E( 7 )= 2.3784 eV Re[Sigma]= -74.901198 meV Im[Sigma]= 527.146645 meV Z= 2.111373 lam= -0.526375 E( 8 )= 2.3802 eV Re[Sigma]= -72.439295 meV Im[Sigma]= 530.881001 meV Z= 2.167217 lam= -0.538579 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -9.2916 eV Re[Sigma]= -1209.347778 meV Im[Sigma]= 265.095580 meV Z= 0.605998 lam= 0.650171 E( 2 )= -9.2916 eV Re[Sigma]= -1209.347778 meV Im[Sigma]= 265.095580 meV Z= 0.605998 lam= 0.650171 E( 3 )= -0.6078 eV Re[Sigma]= 101.733968 meV Im[Sigma]= 92.850718 meV Z= 0.911981 lam= 0.096514 E( 4 )= -0.6078 eV Re[Sigma]= 101.733968 meV Im[Sigma]= 92.850718 meV Z= 0.911981 lam= 0.096514 E( 5 )= 2.2063 eV Re[Sigma]= 86.407310 meV Im[Sigma]= 152.609454 meV Z= 0.799858 lam= 0.250222 E( 6 )= 2.2063 eV Re[Sigma]= 86.407310 meV Im[Sigma]= 152.609454 meV Z= 0.799858 lam= 0.250222 E( 7 )= 3.4267 eV Re[Sigma]= 234.312914 meV Im[Sigma]= 184.389243 meV Z= 0.973036 lam= 0.027711 E( 8 )= 3.4267 eV Re[Sigma]= 234.312914 meV Im[Sigma]= 184.389243 meV Z= 0.973036 lam= 0.027711 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.444109 meV Im[Sigma]= 958.683795 meV Z= -1.373823 lam= -1.727896 E( 2 )= -10.1193 eV Re[Sigma]= -1123.970838 meV Im[Sigma]= 960.381684 meV Z= -1.357203 lam= -1.736809 E( 3 )= -0.0233 eV Re[Sigma]= 104.489442 meV Im[Sigma]= 593.784984 meV Z= -3.273016 lam= -1.305529 E( 4 )= 0.0252 eV Re[Sigma]= 173.134426 meV Im[Sigma]= 564.130356 meV Z= -18.756930 lam= -1.053314 E( 5 )= 3.8914 eV Re[Sigma]= 202.494058 meV Im[Sigma]= 506.752010 meV Z= 1.749778 lam= -0.428499 E( 6 )= 3.9450 eV Re[Sigma]= 232.925424 meV Im[Sigma]= 662.780682 meV Z= 16.872866 lam= -0.940733 E( 7 )= 5.5890 eV Re[Sigma]= 473.523861 meV Im[Sigma]= 441.892493 meV Z= 4.701807 lam= -0.787316 E( 8 )= 5.5908 eV Re[Sigma]= 475.394210 meV Im[Sigma]= 446.755539 meV Z= 4.931063 lam= -0.797204 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1054.494895 meV Im[Sigma]= 1014.964551 meV Z= -2.354776 lam= -1.424669 E( 2 )= -8.9136 eV Re[Sigma]= -1054.776574 meV Im[Sigma]= 1016.125089 meV Z= -2.340592 lam= -1.427242 E( 3 )= -3.2141 eV Re[Sigma]= 569.436082 meV Im[Sigma]= 754.810186 meV Z= -38.810893 lam= -1.025766 E( 4 )= -3.1889 eV Re[Sigma]= 596.915564 meV Im[Sigma]= 688.825144 meV Z= 4.807698 lam= -0.792000 E( 5 )= 2.4951 eV Re[Sigma]= -96.867074 meV Im[Sigma]= 603.227815 meV Z= 1.110381 lam= -0.099408 E( 6 )= 2.5270 eV Re[Sigma]= -99.261947 meV Im[Sigma]= 584.211035 meV Z= 0.873950 lam= 0.144231 E( 7 )= 5.4585 eV Re[Sigma]= 302.164782 meV Im[Sigma]= 320.369362 meV Z= 1.751811 lam= -0.429162 E( 8 )= 5.4623 eV Re[Sigma]= 304.707963 meV Im[Sigma]= 323.597218 meV Z= 1.792615 lam= -0.442156 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -788.630183 meV Im[Sigma]= 532.477780 meV Z= 4.046343 lam= -0.752863 E( 2 )= -8.2690 eV Re[Sigma]= -787.399550 meV Im[Sigma]= 532.666439 meV Z= 4.044167 lam= -0.752730 E( 3 )= -4.6268 eV Re[Sigma]= 483.337309 meV Im[Sigma]= 251.077794 meV Z= 1.382900 lam= -0.276882 E( 4 )= -4.6137 eV Re[Sigma]= 490.197092 meV Im[Sigma]= 252.106442 meV Z= 1.381643 lam= -0.276224 E( 5 )= 2.8526 eV Re[Sigma]= 244.660240 meV Im[Sigma]= 1178.418650 meV Z= 3.265104 lam= -0.693731 E( 6 )= 2.8702 eV Re[Sigma]= 306.746241 meV Im[Sigma]= 1408.950430 meV Z= -1.244378 lam= -1.803614 E( 7 )= 4.6663 eV Re[Sigma]= 444.859644 meV Im[Sigma]= 278.290333 meV Z= 1.382353 lam= -0.276596 E( 8 )= 4.6703 eV Re[Sigma]= 447.567146 meV Im[Sigma]= 280.515051 meV Z= 1.414444 lam= -0.293008 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.3559 eV Re[Sigma]= -709.410466 meV Im[Sigma]= 402.365309 meV Z= 1.763037 lam= -0.432797 E( 2 )= -7.3533 eV Re[Sigma]= -708.161920 meV Im[Sigma]= 398.711049 meV Z= 1.725852 lam= -0.420576 E( 3 )= -3.6163 eV Re[Sigma]= 107.956994 meV Im[Sigma]= 551.944748 meV Z= 3.677832 lam= -0.728101 E( 4 )= -3.6087 eV Re[Sigma]= 114.076354 meV Im[Sigma]= 569.032072 meV Z= 4.544299 lam= -0.779944 E( 5 )= -0.0413 eV Re[Sigma]= 112.098659 meV Im[Sigma]= 882.495188 meV Z= -1.227487 lam= -1.814673 E( 6 )= -0.0204 eV Re[Sigma]= 165.051294 meV Im[Sigma]= 902.577194 meV Z= -1.046908 lam= -1.955194 E( 7 )= 2.9599 eV Re[Sigma]= 356.997627 meV Im[Sigma]= 1613.964458 meV Z= -0.568423 lam= -2.759254 E( 8 )= 2.9903 eV Re[Sigma]= 444.965157 meV Im[Sigma]= 1355.337251 meV Z= -1.629118 lam= -1.613829 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -6.7933 eV Re[Sigma]= -679.528966 meV Im[Sigma]= 1.154861 meV Z= 0.655026 lam= 0.526657 E( 2 )= -6.7899 eV Re[Sigma]= -681.106072 meV Im[Sigma]= 1.116549 meV Z= 0.655390 lam= 0.525809 E( 3 )= -3.5364 eV Re[Sigma]= 44.506469 meV Im[Sigma]= 650.391716 meV Z= 1.925374 lam= -0.480620 E( 4 )= -3.5273 eV Re[Sigma]= 43.108213 meV Im[Sigma]= 685.292317 meV Z= 1.722550 lam= -0.419465 E( 5 )= -0.4605 eV Re[Sigma]= 21.657591 meV Im[Sigma]= 290.547406 meV Z= 1.244450 lam= -0.196432 E( 6 )= -0.4580 eV Re[Sigma]= 19.086635 meV Im[Sigma]= 288.037646 meV Z= 1.226231 lam= -0.184493 E( 7 )= 1.4150 eV Re[Sigma]= 399.336871 meV Im[Sigma]= 414.515338 meV Z= 1.132120 lam= -0.116701 E( 8 )= 1.4368 eV Re[Sigma]= 389.340350 meV Im[Sigma]= 356.127853 meV Z= 1.054368 lam= -0.051564 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -735.097932 meV Im[Sigma]= 1014.376575 meV Z= -3.513687 lam= -1.284601 E( 2 )= -7.6743 eV Re[Sigma]= -733.638891 meV Im[Sigma]= 1015.760386 meV Z= -3.485394 lam= -1.286912 E( 3 )= -3.2961 eV Re[Sigma]= 322.478192 meV Im[Sigma]= 535.404750 meV Z= 2.822094 lam= -0.645653 E( 4 )= -3.2764 eV Re[Sigma]= 345.023188 meV Im[Sigma]= 559.370890 meV Z= 6.388397 lam= -0.843466 E( 5 )= 0.5424 eV Re[Sigma]= 172.673273 meV Im[Sigma]= 389.391902 meV Z= 2.115953 lam= -0.527400 E( 6 )= 0.5642 eV Re[Sigma]= 192.090080 meV Im[Sigma]= 389.711247 meV Z= 2.078865 lam= -0.518968 E( 7 )= 2.3784 eV Re[Sigma]= -74.119926 meV Im[Sigma]= 527.193887 meV Z= 2.130996 lam= -0.530736 E( 8 )= 2.3802 eV Re[Sigma]= -71.892272 meV Im[Sigma]= 530.399211 meV Z= 2.178807 lam= -0.541033 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -740.928899 meV Im[Sigma]= 1239.435597 meV Z= -1.001121 lam= -1.998881 E( 2 )= -8.7077 eV Re[Sigma]= -735.231477 meV Im[Sigma]= 1230.889103 meV Z= -1.018051 lam= -1.982269 E( 3 )= -1.9243 eV Re[Sigma]= 192.711009 meV Im[Sigma]= 335.158235 meV Z= 2.415260 lam= -0.585966 E( 4 )= -1.8692 eV Re[Sigma]= 218.082521 meV Im[Sigma]= 336.341873 meV Z= 2.136799 lam= -0.532010 E( 5 )= 1.0479 eV Re[Sigma]= 110.308525 meV Im[Sigma]= 387.269076 meV Z= 1.200771 lam= -0.167202 E( 6 )= 1.1243 eV Re[Sigma]= 158.521179 meV Im[Sigma]= 458.591541 meV Z= 1.422375 lam= -0.296951 E( 7 )= 4.0214 eV Re[Sigma]= 396.031419 meV Im[Sigma]= 822.058050 meV Z= -5.334641 lam= -1.187454 E( 8 )= 4.0623 eV Re[Sigma]= 494.396521 meV Im[Sigma]= 887.040713 meV Z= -2.457548 lam= -1.406910 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.4030 eV Re[Sigma]= -367.080079 meV Im[Sigma]= 891.224932 meV Z= 3.022050 lam= -0.669099 E( 2 )= -7.4030 eV Re[Sigma]= -367.080079 meV Im[Sigma]= 891.224932 meV Z= 3.022050 lam= -0.669099 E( 3 )= -2.5926 eV Re[Sigma]= 399.771654 meV Im[Sigma]= 98.083525 meV Z= 0.734667 lam= 0.361161 E( 4 )= -2.5926 eV Re[Sigma]= 399.771654 meV Im[Sigma]= 98.083525 meV Z= 0.734667 lam= 0.361161 E( 5 )= -1.5227 eV Re[Sigma]= 465.858809 meV Im[Sigma]= 160.745767 meV Z= 0.818877 lam= 0.221185 E( 6 )= -1.5227 eV Re[Sigma]= 465.858809 meV Im[Sigma]= 160.745767 meV Z= 0.818877 lam= 0.221185 E( 7 )= 3.4954 eV Re[Sigma]= 563.697079 meV Im[Sigma]= 443.905291 meV Z= 1.557221 lam= -0.357830 E( 8 )= 3.4954 eV Re[Sigma]= 563.697079 meV Im[Sigma]= 443.905291 meV Z= 1.557221 lam= -0.357830 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -709.095960 meV Im[Sigma]= 402.249095 meV Z= 1.761100 lam= -0.432173 E( 2 )= -7.3536 eV Re[Sigma]= -708.001551 meV Im[Sigma]= 399.381088 meV Z= 1.731730 lam= -0.422543 E( 3 )= -3.6171 eV Re[Sigma]= 111.213098 meV Im[Sigma]= 549.439606 meV Z= 3.597592 lam= -0.722036 E( 4 )= -3.6080 eV Re[Sigma]= 118.240824 meV Im[Sigma]= 566.556107 meV Z= 4.392711 lam= -0.772350 E( 5 )= -0.0412 eV Re[Sigma]= 110.536983 meV Im[Sigma]= 888.255234 meV Z= -1.205402 lam= -1.829599 E( 6 )= -0.0202 eV Re[Sigma]= 163.516686 meV Im[Sigma]= 907.513661 meV Z= -1.032206 lam= -1.968799 E( 7 )= 2.9592 eV Re[Sigma]= 382.365505 meV Im[Sigma]= 1668.815268 meV Z= -0.534525 lam= -2.870819 E( 8 )= 2.9909 eV Re[Sigma]= 475.462290 meV Im[Sigma]= 1392.539476 meV Z= -1.534432 lam= -1.651707 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.4030 eV Re[Sigma]= -368.294801 meV Im[Sigma]= 890.546262 meV Z= 3.026205 lam= -0.669553 E( 2 )= -7.4030 eV Re[Sigma]= -368.294801 meV Im[Sigma]= 890.546262 meV Z= 3.026205 lam= -0.669553 E( 3 )= -2.5926 eV Re[Sigma]= 395.018204 meV Im[Sigma]= 98.422664 meV Z= 0.737762 lam= 0.355450 E( 4 )= -2.5926 eV Re[Sigma]= 395.018204 meV Im[Sigma]= 98.422664 meV Z= 0.737762 lam= 0.355450 E( 5 )= -1.5227 eV Re[Sigma]= 468.798240 meV Im[Sigma]= 160.023292 meV Z= 0.817391 lam= 0.223404 E( 6 )= -1.5227 eV Re[Sigma]= 468.798240 meV Im[Sigma]= 160.023292 meV Z= 0.817391 lam= 0.223404 E( 7 )= 3.4954 eV Re[Sigma]= 570.339152 meV Im[Sigma]= 475.923353 meV Z= 1.803311 lam= -0.445464 E( 8 )= 3.4954 eV Re[Sigma]= 570.339152 meV Im[Sigma]= 475.923353 meV Z= 1.803311 lam= -0.445464 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -7.3559 eV Re[Sigma]= -709.173347 meV Im[Sigma]= 402.250541 meV Z= 1.761744 lam= -0.432381 E( 2 )= -7.3533 eV Re[Sigma]= -707.917358 meV Im[Sigma]= 398.616541 meV Z= 1.724807 lam= -0.420225 E( 3 )= -3.6163 eV Re[Sigma]= 108.630355 meV Im[Sigma]= 550.646754 meV Z= 3.638376 lam= -0.725152 E( 4 )= -3.6087 eV Re[Sigma]= 114.581526 meV Im[Sigma]= 567.759389 meV Z= 4.468664 lam= -0.776219 E( 5 )= -0.0413 eV Re[Sigma]= 110.803159 meV Im[Sigma]= 878.992163 meV Z= -1.241558 lam= -1.805439 E( 6 )= -0.0204 eV Re[Sigma]= 164.131722 meV Im[Sigma]= 899.488804 meV Z= -1.053443 lam= -1.949268 E( 7 )= 2.9599 eV Re[Sigma]= 354.468688 meV Im[Sigma]= 1600.713898 meV Z= -0.578963 lam= -2.727226 E( 8 )= 2.9903 eV Re[Sigma]= 441.406104 meV Im[Sigma]= 1343.856086 meV Z= -1.697942 lam= -1.588948 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.4030 eV Re[Sigma]= -367.492531 meV Im[Sigma]= 890.900391 meV Z= 3.032533 lam= -0.670243 E( 2 )= -7.4030 eV Re[Sigma]= -367.492531 meV Im[Sigma]= 890.900391 meV Z= 3.032533 lam= -0.670243 E( 3 )= -2.5926 eV Re[Sigma]= 402.433789 meV Im[Sigma]= 97.067237 meV Z= 0.729909 lam= 0.370034 E( 4 )= -2.5926 eV Re[Sigma]= 402.433789 meV Im[Sigma]= 97.067237 meV Z= 0.729909 lam= 0.370034 E( 5 )= -1.5227 eV Re[Sigma]= 466.574125 meV Im[Sigma]= 157.839559 meV Z= 0.816516 lam= 0.224716 E( 6 )= -1.5227 eV Re[Sigma]= 466.574125 meV Im[Sigma]= 157.839559 meV Z= 0.816516 lam= 0.224716 E( 7 )= 3.4954 eV Re[Sigma]= 578.771988 meV Im[Sigma]= 448.507087 meV Z= 1.594797 lam= -0.372961 E( 8 )= 3.4954 eV Re[Sigma]= 578.771988 meV Im[Sigma]= 448.507087 meV Z= 1.594797 lam= -0.372961 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -708.672923 meV Im[Sigma]= 402.007182 meV Z= 1.760350 lam= -0.431931 E( 2 )= -7.3536 eV Re[Sigma]= -707.582281 meV Im[Sigma]= 399.062995 meV Z= 1.730386 lam= -0.422094 E( 3 )= -3.6171 eV Re[Sigma]= 111.678990 meV Im[Sigma]= 549.970260 meV Z= 3.606145 lam= -0.722696 E( 4 )= -3.6080 eV Re[Sigma]= 118.464457 meV Im[Sigma]= 567.394708 meV Z= 4.414869 lam= -0.773493 E( 5 )= -0.0412 eV Re[Sigma]= 109.002332 meV Im[Sigma]= 878.569491 meV Z= -1.241247 lam= -1.805642 E( 6 )= -0.0202 eV Re[Sigma]= 161.218039 meV Im[Sigma]= 898.576130 meV Z= -1.055757 lam= -1.947187 E( 7 )= 2.9592 eV Re[Sigma]= 384.089185 meV Im[Sigma]= 1668.333940 meV Z= -0.535632 lam= -2.866954 E( 8 )= 2.9909 eV Re[Sigma]= 477.607818 meV Im[Sigma]= 1394.028833 meV Z= -1.536118 lam= -1.650991 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.6752 eV Re[Sigma]= -735.375589 meV Im[Sigma]= 1011.581030 meV Z= -3.610321 lam= -1.276984 E( 2 )= -7.6744 eV Re[Sigma]= -733.883780 meV Im[Sigma]= 1013.080226 meV Z= -3.577786 lam= -1.279502 E( 3 )= -3.2961 eV Re[Sigma]= 319.136296 meV Im[Sigma]= 532.331965 meV Z= 2.774156 lam= -0.639530 E( 4 )= -3.2767 eV Re[Sigma]= 341.247441 meV Im[Sigma]= 557.108443 meV Z= 6.171407 lam= -0.837962 E( 5 )= 0.5435 eV Re[Sigma]= 169.815027 meV Im[Sigma]= 384.218879 meV Z= 2.063458 lam= -0.515377 E( 6 )= 0.5635 eV Re[Sigma]= 187.397077 meV Im[Sigma]= 384.491536 meV Z= 2.016457 lam= -0.504081 E( 7 )= 2.3792 eV Re[Sigma]= -58.740872 meV Im[Sigma]= 530.991531 meV Z= 2.173320 lam= -0.539874 E( 8 )= 2.3795 eV Re[Sigma]= -60.831901 meV Im[Sigma]= 530.844495 meV Z= 2.186174 lam= -0.542580 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -6.7924 eV Re[Sigma]= -679.966251 meV Im[Sigma]= 1.153679 meV Z= 0.655013 lam= 0.526687 E( 2 )= -6.7910 eV Re[Sigma]= -680.526907 meV Im[Sigma]= 1.110422 meV Z= 0.655407 lam= 0.525768 E( 3 )= -3.5384 eV Re[Sigma]= 44.875183 meV Im[Sigma]= 645.187347 meV Z= 1.946306 lam= -0.486206 E( 4 )= -3.5262 eV Re[Sigma]= 44.855575 meV Im[Sigma]= 681.267929 meV Z= 1.676985 lam= -0.403692 E( 5 )= -0.4626 eV Re[Sigma]= 26.718243 meV Im[Sigma]= 288.199745 meV Z= 1.246364 lam= -0.197666 E( 6 )= -0.4546 eV Re[Sigma]= 25.081153 meV Im[Sigma]= 285.019830 meV Z= 1.217044 lam= -0.178337 E( 7 )= 1.4120 eV Re[Sigma]= 398.868520 meV Im[Sigma]= 423.382870 meV Z= 1.148662 lam= -0.129422 E( 8 )= 1.4395 eV Re[Sigma]= 389.841240 meV Im[Sigma]= 355.949348 meV Z= 1.047112 lam= -0.044992 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -708.852183 meV Im[Sigma]= 402.450436 meV Z= 1.762893 lam= -0.432751 E( 2 )= -7.3536 eV Re[Sigma]= -707.790032 meV Im[Sigma]= 399.525991 meV Z= 1.732964 lam= -0.422954 E( 3 )= -3.6171 eV Re[Sigma]= 111.275837 meV Im[Sigma]= 548.529716 meV Z= 3.571567 lam= -0.720011 E( 4 )= -3.6080 eV Re[Sigma]= 118.166978 meV Im[Sigma]= 565.392520 meV Z= 4.322502 lam= -0.768653 E( 5 )= -0.0412 eV Re[Sigma]= 110.281791 meV Im[Sigma]= 881.611306 meV Z= -1.232694 lam= -1.811231 E( 6 )= -0.0202 eV Re[Sigma]= 162.825783 meV Im[Sigma]= 901.446403 meV Z= -1.049181 lam= -1.953125 E( 7 )= 2.9592 eV Re[Sigma]= 377.684778 meV Im[Sigma]= 1660.867316 meV Z= -0.539934 lam= -2.852080 E( 8 )= 2.9909 eV Re[Sigma]= 470.425483 meV Im[Sigma]= 1386.745443 meV Z= -1.559507 lam= -1.641228 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -788.522575 meV Im[Sigma]= 532.419328 meV Z= 4.040197 lam= -0.752487 E( 2 )= -8.2690 eV Re[Sigma]= -787.291868 meV Im[Sigma]= 532.576489 meV Z= 4.036842 lam= -0.752282 E( 3 )= -4.6268 eV Re[Sigma]= 484.088983 meV Im[Sigma]= 251.161384 meV Z= 1.383861 lam= -0.277384 E( 4 )= -4.6137 eV Re[Sigma]= 491.030063 meV Im[Sigma]= 252.139262 meV Z= 1.382391 lam= -0.276616 E( 5 )= 2.8526 eV Re[Sigma]= 243.522832 meV Im[Sigma]= 1172.929750 meV Z= 3.155728 lam= -0.683116 E( 6 )= 2.8702 eV Re[Sigma]= 305.642910 meV Im[Sigma]= 1402.403067 meV Z= -1.269854 lam= -1.787492 E( 7 )= 4.6663 eV Re[Sigma]= 443.508321 meV Im[Sigma]= 276.232403 meV Z= 1.367781 lam= -0.268889 E( 8 )= 4.6703 eV Re[Sigma]= 446.237092 meV Im[Sigma]= 277.884258 meV Z= 1.397477 lam= -0.284425 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.733310 meV Im[Sigma]= 1016.924301 meV Z= -2.342389 lam= -1.426915 E( 2 )= -8.9135 eV Re[Sigma]= -1055.501183 meV Im[Sigma]= 1018.545526 meV Z= -2.325208 lam= -1.430069 E( 3 )= -3.2145 eV Re[Sigma]= 571.649732 meV Im[Sigma]= 753.460704 meV Z= -39.723125 lam= -1.025174 E( 4 )= -3.1886 eV Re[Sigma]= 600.736558 meV Im[Sigma]= 686.765691 meV Z= 4.703084 lam= -0.787374 E( 5 )= 2.4955 eV Re[Sigma]= -92.356121 meV Im[Sigma]= 594.553472 meV Z= 1.070576 lam= -0.065924 E( 6 )= 2.5270 eV Re[Sigma]= -94.782424 meV Im[Sigma]= 575.107287 meV Z= 0.853537 lam= 0.171596 E( 7 )= 5.4585 eV Re[Sigma]= 303.930987 meV Im[Sigma]= 321.473130 meV Z= 1.762092 lam= -0.432493 E( 8 )= 5.4617 eV Re[Sigma]= 305.251367 meV Im[Sigma]= 324.481258 meV Z= 1.796150 lam= -0.443253 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -740.204708 meV Im[Sigma]= 1238.560866 meV Z= -1.003908 lam= -1.996108 E( 2 )= -8.7077 eV Re[Sigma]= -735.404034 meV Im[Sigma]= 1230.613393 meV Z= -1.019999 lam= -1.980393 E( 3 )= -1.9248 eV Re[Sigma]= 190.643157 meV Im[Sigma]= 335.116728 meV Z= 2.386688 lam= -0.581009 E( 4 )= -1.8691 eV Re[Sigma]= 217.876278 meV Im[Sigma]= 337.218591 meV Z= 2.122306 lam= -0.528814 E( 5 )= 1.0492 eV Re[Sigma]= 110.241105 meV Im[Sigma]= 392.043632 meV Z= 1.208058 lam= -0.172225 E( 6 )= 1.1242 eV Re[Sigma]= 159.702067 meV Im[Sigma]= 465.631702 meV Z= 1.437134 lam= -0.304170 E( 7 )= 4.0221 eV Re[Sigma]= 399.937086 meV Im[Sigma]= 812.196412 meV Z= -5.446988 lam= -1.183588 E( 8 )= 4.0609 eV Re[Sigma]= 495.196199 meV Im[Sigma]= 876.712760 meV Z= -2.460811 lam= -1.406370 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -9.2916 eV Re[Sigma]= -1209.341186 meV Im[Sigma]= 265.205645 meV Z= 0.606294 lam= 0.649364 E( 2 )= -9.2916 eV Re[Sigma]= -1209.341186 meV Im[Sigma]= 265.205645 meV Z= 0.606294 lam= 0.649364 E( 3 )= -0.6078 eV Re[Sigma]= 100.832200 meV Im[Sigma]= 95.585050 meV Z= 0.913029 lam= 0.095256 E( 4 )= -0.6078 eV Re[Sigma]= 100.832200 meV Im[Sigma]= 95.585050 meV Z= 0.913029 lam= 0.095256 E( 5 )= 2.2063 eV Re[Sigma]= 94.264528 meV Im[Sigma]= 152.932067 meV Z= 0.817767 lam= 0.222843 E( 6 )= 2.2063 eV Re[Sigma]= 94.264528 meV Im[Sigma]= 152.932067 meV Z= 0.817767 lam= 0.222843 E( 7 )= 3.4267 eV Re[Sigma]= 241.581157 meV Im[Sigma]= 184.355781 meV Z= 0.977123 lam= 0.023413 E( 8 )= 3.4267 eV Re[Sigma]= 241.581157 meV Im[Sigma]= 184.355781 meV Z= 0.977123 lam= 0.023413 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -7.6752 eV Re[Sigma]= -735.355820 meV Im[Sigma]= 1011.764021 meV Z= -3.599899 lam= -1.277786 E( 2 )= -7.6744 eV Re[Sigma]= -733.850198 meV Im[Sigma]= 1013.303552 meV Z= -3.565659 lam= -1.280453 E( 3 )= -3.2961 eV Re[Sigma]= 318.899953 meV Im[Sigma]= 532.327163 meV Z= 2.791830 lam= -0.641812 E( 4 )= -3.2767 eV Re[Sigma]= 341.283166 meV Im[Sigma]= 557.463519 meV Z= 6.279006 lam= -0.840739 E( 5 )= 0.5435 eV Re[Sigma]= 173.132614 meV Im[Sigma]= 381.774321 meV Z= 2.038288 lam= -0.509392 E( 6 )= 0.5635 eV Re[Sigma]= 190.247016 meV Im[Sigma]= 381.966069 meV Z= 1.991696 lam= -0.497915 E( 7 )= 2.3792 eV Re[Sigma]= -58.457837 meV Im[Sigma]= 532.921981 meV Z= 2.223687 lam= -0.550296 E( 8 )= 2.3795 eV Re[Sigma]= -60.383224 meV Im[Sigma]= 534.063292 meV Z= 2.255326 lam= -0.556605 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.4030 eV Re[Sigma]= -367.161113 meV Im[Sigma]= 891.727829 meV Z= 3.031839 lam= -0.670167 E( 2 )= -7.4030 eV Re[Sigma]= -367.161113 meV Im[Sigma]= 891.727829 meV Z= 3.031839 lam= -0.670167 E( 3 )= -2.5926 eV Re[Sigma]= 400.252422 meV Im[Sigma]= 98.514299 meV Z= 0.735914 lam= 0.358855 E( 4 )= -2.5926 eV Re[Sigma]= 400.252422 meV Im[Sigma]= 98.514299 meV Z= 0.735914 lam= 0.358855 E( 5 )= -1.5227 eV Re[Sigma]= 464.835578 meV Im[Sigma]= 158.270931 meV Z= 0.814208 lam= 0.228188 E( 6 )= -1.5227 eV Re[Sigma]= 464.835578 meV Im[Sigma]= 158.270931 meV Z= 0.814208 lam= 0.228188 E( 7 )= 3.4954 eV Re[Sigma]= 564.854247 meV Im[Sigma]= 451.742396 meV Z= 1.627951 lam= -0.385731 E( 8 )= 3.4954 eV Re[Sigma]= 564.854247 meV Im[Sigma]= 451.742396 meV Z= 1.627951 lam= -0.385731 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1054.861080 meV Im[Sigma]= 1015.441269 meV Z= -2.354172 lam= -1.424778 E( 2 )= -8.9136 eV Re[Sigma]= -1055.163875 meV Im[Sigma]= 1016.600836 meV Z= -2.339888 lam= -1.427371 E( 3 )= -3.2141 eV Re[Sigma]= 567.636496 meV Im[Sigma]= 751.967966 meV Z= -43.980253 lam= -1.022737 E( 4 )= -3.1889 eV Re[Sigma]= 595.492193 meV Im[Sigma]= 686.243901 meV Z= 4.748396 lam= -0.789403 E( 5 )= 2.4951 eV Re[Sigma]= -95.703246 meV Im[Sigma]= 609.017916 meV Z= 1.130817 lam= -0.115684 E( 6 )= 2.5270 eV Re[Sigma]= -96.769261 meV Im[Sigma]= 589.388259 meV Z= 0.885104 lam= 0.129811 E( 7 )= 5.4585 eV Re[Sigma]= 301.646842 meV Im[Sigma]= 319.451410 meV Z= 1.749971 lam= -0.428562 E( 8 )= 5.4623 eV Re[Sigma]= 304.060107 meV Im[Sigma]= 322.468962 meV Z= 1.787969 lam= -0.440706 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -10.0072 eV Re[Sigma]= -664.305022 meV Im[Sigma]= 1371.495200 meV Z= -0.999063 lam= -2.000938 E( 2 )= -10.0072 eV Re[Sigma]= -664.305022 meV Im[Sigma]= 1371.495200 meV Z= -0.999063 lam= -2.000938 E( 3 )= -1.9455 eV Re[Sigma]= 200.073608 meV Im[Sigma]= 210.272374 meV Z= 1.317316 lam= -0.240881 E( 4 )= -1.9455 eV Re[Sigma]= 200.073608 meV Im[Sigma]= 210.272374 meV Z= 1.317316 lam= -0.240881 E( 5 )= 4.7466 eV Re[Sigma]= 438.130529 meV Im[Sigma]= 296.020081 meV Z= 1.496554 lam= -0.331798 E( 6 )= 4.7466 eV Re[Sigma]= 438.130529 meV Im[Sigma]= 296.020081 meV Z= 1.496554 lam= -0.331798 E( 7 )= 6.7126 eV Re[Sigma]= 354.250065 meV Im[Sigma]= 102.156588 meV Z= 1.133375 lam= -0.117680 E( 8 )= 6.7126 eV Re[Sigma]= 354.250065 meV Im[Sigma]= 102.156588 meV Z= 1.133375 lam= -0.117680 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -10.1203 eV Re[Sigma]= -1125.495727 meV Im[Sigma]= 959.044362 meV Z= -1.372307 lam= -1.728700 E( 2 )= -10.1193 eV Re[Sigma]= -1124.104691 meV Im[Sigma]= 960.688304 meV Z= -1.356457 lam= -1.737215 E( 3 )= -0.0230 eV Re[Sigma]= 101.971052 meV Im[Sigma]= 590.196226 meV Z= -3.423490 lam= -1.292100 E( 4 )= 0.0250 eV Re[Sigma]= 171.284073 meV Im[Sigma]= 561.943668 meV Z= -20.319965 lam= -1.049213 E( 5 )= 3.8919 eV Re[Sigma]= 199.274483 meV Im[Sigma]= 484.276238 meV Z= 1.670325 lam= -0.401314 E( 6 )= 3.9455 eV Re[Sigma]= 230.526118 meV Im[Sigma]= 635.303519 meV Z= 9.812067 lam= -0.898085 E( 7 )= 5.5884 eV Re[Sigma]= 478.814813 meV Im[Sigma]= 457.415321 meV Z= 5.409793 lam= -0.815150 E( 8 )= 5.5902 eV Re[Sigma]= 480.852092 meV Im[Sigma]= 461.316471 meV Z= 5.630694 lam= -0.822402 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -10.1203 eV Re[Sigma]= -1125.583602 meV Im[Sigma]= 958.902375 meV Z= -1.373241 lam= -1.728204 E( 2 )= -10.1193 eV Re[Sigma]= -1124.203524 meV Im[Sigma]= 960.539768 meV Z= -1.357414 lam= -1.736695 E( 3 )= -0.0230 eV Re[Sigma]= 101.451986 meV Im[Sigma]= 586.676543 meV Z= -3.541289 lam= -1.282383 E( 4 )= 0.0250 eV Re[Sigma]= 169.369893 meV Im[Sigma]= 558.500818 meV Z= -25.236978 lam= -1.039624 E( 5 )= 3.8919 eV Re[Sigma]= 199.857433 meV Im[Sigma]= 483.176304 meV Z= 1.665235 lam= -0.399484 E( 6 )= 3.9455 eV Re[Sigma]= 229.183577 meV Im[Sigma]= 635.836693 meV Z= 10.104742 lam= -0.901037 E( 7 )= 5.5884 eV Re[Sigma]= 479.932031 meV Im[Sigma]= 466.959810 meV Z= 6.108911 lam= -0.836305 E( 8 )= 5.5902 eV Re[Sigma]= 482.004420 meV Im[Sigma]= 471.857389 meV Z= 6.479510 lam= -0.845667 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -740.420870 meV Im[Sigma]= 1238.185654 meV Z= -1.004572 lam= -1.995449 E( 2 )= -8.7077 eV Re[Sigma]= -735.615372 meV Im[Sigma]= 1230.212337 meV Z= -1.020745 lam= -1.979677 E( 3 )= -1.9248 eV Re[Sigma]= 191.906145 meV Im[Sigma]= 336.409648 meV Z= 2.421316 lam= -0.587002 E( 4 )= -1.8691 eV Re[Sigma]= 218.012206 meV Im[Sigma]= 338.399555 meV Z= 2.149683 lam= -0.534815 E( 5 )= 1.0492 eV Re[Sigma]= 114.999798 meV Im[Sigma]= 392.793497 meV Z= 1.214216 lam= -0.176424 E( 6 )= 1.1242 eV Re[Sigma]= 164.021828 meV Im[Sigma]= 462.807283 meV Z= 1.431831 lam= -0.301594 E( 7 )= 4.0221 eV Re[Sigma]= 403.571969 meV Im[Sigma]= 813.403853 meV Z= -5.232471 lam= -1.191114 E( 8 )= 4.0609 eV Re[Sigma]= 499.146594 meV Im[Sigma]= 874.833940 meV Z= -2.504745 lam= -1.399242 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -708.578731 meV Im[Sigma]= 402.148974 meV Z= 1.760635 lam= -0.432023 E( 2 )= -7.3536 eV Re[Sigma]= -707.492019 meV Im[Sigma]= 399.247273 meV Z= 1.731076 lam= -0.422325 E( 3 )= -3.6171 eV Re[Sigma]= 111.394049 meV Im[Sigma]= 548.262091 meV Z= 3.535726 lam= -0.717173 E( 4 )= -3.6080 eV Re[Sigma]= 117.986084 meV Im[Sigma]= 565.562170 meV Z= 4.297991 lam= -0.767333 E( 5 )= -0.0412 eV Re[Sigma]= 108.813047 meV Im[Sigma]= 883.893542 meV Z= -1.224254 lam= -1.816824 E( 6 )= -0.0202 eV Re[Sigma]= 161.284366 meV Im[Sigma]= 903.998821 meV Z= -1.043116 lam= -1.958667 E( 7 )= 2.9592 eV Re[Sigma]= 376.745365 meV Im[Sigma]= 1654.235909 meV Z= -0.544043 lam= -2.838090 E( 8 )= 2.9909 eV Re[Sigma]= 469.752430 meV Im[Sigma]= 1383.680704 meV Z= -1.566821 lam= -1.638235 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -741.291863 meV Im[Sigma]= 1239.325060 meV Z= -1.001562 lam= -1.998441 E( 2 )= -8.7077 eV Re[Sigma]= -735.615510 meV Im[Sigma]= 1230.699158 meV Z= -1.018614 lam= -1.981726 E( 3 )= -1.9243 eV Re[Sigma]= 191.843679 meV Im[Sigma]= 333.589304 meV Z= 2.381808 lam= -0.580151 E( 4 )= -1.8692 eV Re[Sigma]= 218.636209 meV Im[Sigma]= 335.192709 meV Z= 2.111150 lam= -0.526324 E( 5 )= 1.0479 eV Re[Sigma]= 105.538955 meV Im[Sigma]= 394.479885 meV Z= 1.201525 lam= -0.167724 E( 6 )= 1.1243 eV Re[Sigma]= 155.732153 meV Im[Sigma]= 469.148547 meV Z= 1.437435 lam= -0.304316 E( 7 )= 4.0214 eV Re[Sigma]= 391.347837 meV Im[Sigma]= 819.473907 meV Z= -5.631247 lam= -1.177581 E( 8 )= 4.0623 eV Re[Sigma]= 489.730503 meV Im[Sigma]= 889.228276 meV Z= -2.392733 lam= -1.417932 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.381878 meV Im[Sigma]= 958.424803 meV Z= -1.374546 lam= -1.727513 E( 2 )= -10.1193 eV Re[Sigma]= -1123.878034 meV Im[Sigma]= 960.092679 meV Z= -1.358063 lam= -1.736343 E( 3 )= -0.0233 eV Re[Sigma]= 104.517670 meV Im[Sigma]= 592.461978 meV Z= -3.305974 lam= -1.302483 E( 4 )= 0.0252 eV Re[Sigma]= 173.067262 meV Im[Sigma]= 562.457938 meV Z= -19.757434 lam= -1.050614 E( 5 )= 3.8914 eV Re[Sigma]= 198.052698 meV Im[Sigma]= 509.395491 meV Z= 1.752200 lam= -0.429289 E( 6 )= 3.9450 eV Re[Sigma]= 229.431661 meV Im[Sigma]= 667.024257 meV Z= 19.693620 lam= -0.949222 E( 7 )= 5.5890 eV Re[Sigma]= 475.529559 meV Im[Sigma]= 446.061160 meV Z= 4.765327 lam= -0.790151 E( 8 )= 5.5908 eV Re[Sigma]= 477.509398 meV Im[Sigma]= 451.688948 meV Z= 5.033379 lam= -0.801326 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -10.6238 eV Re[Sigma]= -1189.547363 meV Im[Sigma]= 275.387282 meV Z= 1.307917 lam= -0.235425 E( 2 )= -10.6225 eV Re[Sigma]= -1190.067291 meV Im[Sigma]= 275.778008 meV Z= 1.306437 lam= -0.234559 E( 3 )= 1.2451 eV Re[Sigma]= 234.850481 meV Im[Sigma]= 311.243295 meV Z= 1.055151 lam= -0.052268 E( 4 )= 1.3431 eV Re[Sigma]= 247.572441 meV Im[Sigma]= 270.136942 meV Z= 1.073844 lam= -0.068766 E( 5 )= 4.1064 eV Re[Sigma]= 373.431461 meV Im[Sigma]= 1120.550636 meV Z= -1.308610 lam= -1.764170 E( 6 )= 4.2181 eV Re[Sigma]= 595.727856 meV Im[Sigma]= 829.942298 meV Z= -17.355169 lam= -1.057620 E( 7 )= 6.8740 eV Re[Sigma]= 294.551069 meV Im[Sigma]= 85.464927 meV Z= 1.083780 lam= -0.077304 E( 8 )= 6.8817 eV Re[Sigma]= 293.835075 meV Im[Sigma]= 80.367965 meV Z= 1.074707 lam= -0.069514 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -11.5411 eV Re[Sigma]= -971.164195 meV Im[Sigma]= 143.948154 meV Z= 1.273979 lam= -0.215058 E( 2 )= -11.5411 eV Re[Sigma]= -971.152386 meV Im[Sigma]= 143.942869 meV Z= 1.273958 lam= -0.215045 E( 3 )= 3.4588 eV Re[Sigma]= 189.008470 meV Im[Sigma]= 295.789707 meV Z= 1.563239 lam= -0.360303 E( 4 )= 3.4589 eV Re[Sigma]= 189.079081 meV Im[Sigma]= 295.578740 meV Z= 1.562699 lam= -0.360081 E( 5 )= 6.4109 eV Re[Sigma]= 292.464237 meV Im[Sigma]= 79.179685 meV Z= 1.078880 lam= -0.073113 E( 6 )= 6.4111 eV Re[Sigma]= 292.428049 meV Im[Sigma]= 79.101779 meV Z= 1.078792 lam= -0.073038 E( 7 )= 7.7957 eV Re[Sigma]= 231.722030 meV Im[Sigma]= 12.753322 meV Z= 1.000111 lam= -0.000111 E( 8 )= 7.7982 eV Re[Sigma]= 232.293866 meV Im[Sigma]= 12.583197 meV Z= 0.999581 lam= 0.000419 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -10.6238 eV Re[Sigma]= -1189.722615 meV Im[Sigma]= 275.406105 meV Z= 1.307889 lam= -0.235409 E( 2 )= -10.6225 eV Re[Sigma]= -1190.299827 meV Im[Sigma]= 275.796591 meV Z= 1.306403 lam= -0.234540 E( 3 )= 1.2451 eV Re[Sigma]= 231.814069 meV Im[Sigma]= 307.414612 meV Z= 1.047728 lam= -0.045554 E( 4 )= 1.3431 eV Re[Sigma]= 242.833720 meV Im[Sigma]= 263.691882 meV Z= 1.057233 lam= -0.054134 E( 5 )= 4.1064 eV Re[Sigma]= 374.168356 meV Im[Sigma]= 1173.522236 meV Z= -1.195471 lam= -1.836490 E( 6 )= 4.2181 eV Re[Sigma]= 609.105007 meV Im[Sigma]= 876.652904 meV Z= -6.013498 lam= -1.166293 E( 7 )= 6.8740 eV Re[Sigma]= 293.296070 meV Im[Sigma]= 86.216292 meV Z= 1.089444 lam= -0.082100 E( 8 )= 6.8817 eV Re[Sigma]= 292.329252 meV Im[Sigma]= 81.260994 meV Z= 1.080620 lam= -0.074605 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.352764 meV Im[Sigma]= 1015.942230 meV Z= -2.353735 lam= -1.424857 E( 2 )= -8.9135 eV Re[Sigma]= -1055.147965 meV Im[Sigma]= 1017.624335 meV Z= -2.336540 lam= -1.427983 E( 3 )= -3.2145 eV Re[Sigma]= 567.947562 meV Im[Sigma]= 755.307310 meV Z= -30.620022 lam= -1.032658 E( 4 )= -3.1886 eV Re[Sigma]= 596.743542 meV Im[Sigma]= 688.517175 meV Z= 4.865490 lam= -0.794471 E( 5 )= 2.4955 eV Re[Sigma]= -91.815383 meV Im[Sigma]= 605.134255 meV Z= 1.123235 lam= -0.109714 E( 6 )= 2.5270 eV Re[Sigma]= -92.905478 meV Im[Sigma]= 587.122974 meV Z= 0.888266 lam= 0.125789 E( 7 )= 5.4585 eV Re[Sigma]= 306.538333 meV Im[Sigma]= 314.287291 meV Z= 1.742952 lam= -0.426261 E( 8 )= 5.4617 eV Re[Sigma]= 308.240190 meV Im[Sigma]= 315.934142 meV Z= 1.767397 lam= -0.434196 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -789.000639 meV Im[Sigma]= 531.684566 meV Z= 4.009725 lam= -0.750606 E( 2 )= -8.2690 eV Re[Sigma]= -787.828735 meV Im[Sigma]= 531.802878 meV Z= 4.005364 lam= -0.750335 E( 3 )= -4.6268 eV Re[Sigma]= 485.189442 meV Im[Sigma]= 251.001301 meV Z= 1.382666 lam= -0.276760 E( 4 )= -4.6137 eV Re[Sigma]= 492.307839 meV Im[Sigma]= 251.909283 meV Z= 1.380748 lam= -0.275755 E( 5 )= 2.8526 eV Re[Sigma]= 246.043165 meV Im[Sigma]= 1194.808629 meV Z= 3.318110 lam= -0.698624 E( 6 )= 2.8702 eV Re[Sigma]= 307.965779 meV Im[Sigma]= 1427.638612 meV Z= -1.211685 lam= -1.825297 E( 7 )= 4.6663 eV Re[Sigma]= 442.869047 meV Im[Sigma]= 279.317098 meV Z= 1.389170 lam= -0.280146 E( 8 )= 4.6703 eV Re[Sigma]= 445.487199 meV Im[Sigma]= 281.621307 meV Z= 1.423682 lam= -0.297596 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.076338 meV Im[Sigma]= 958.196390 meV Z= -1.375484 lam= -1.727017 E( 2 )= -10.1193 eV Re[Sigma]= -1123.538770 meV Im[Sigma]= 959.835597 meV Z= -1.359006 lam= -1.735832 E( 3 )= -0.0233 eV Re[Sigma]= 104.994284 meV Im[Sigma]= 593.019319 meV Z= -3.219448 lam= -1.310612 E( 4 )= 0.0252 eV Re[Sigma]= 175.354832 meV Im[Sigma]= 563.213023 meV Z= -17.200323 lam= -1.058138 E( 5 )= 3.8914 eV Re[Sigma]= 193.656698 meV Im[Sigma]= 497.697013 meV Z= 1.728194 lam= -0.421361 E( 6 )= 3.9450 eV Re[Sigma]= 225.560716 meV Im[Sigma]= 655.896663 meV Z= 14.567568 lam= -0.931354 E( 7 )= 5.5890 eV Re[Sigma]= 477.203117 meV Im[Sigma]= 453.933433 meV Z= 5.269729 lam= -0.810237 E( 8 )= 5.5908 eV Re[Sigma]= 479.045150 meV Im[Sigma]= 459.069443 meV Z= 5.574991 lam= -0.820628 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -11.3411 eV Re[Sigma]= -990.196598 meV Im[Sigma]= 128.788563 meV Z= 1.139261 lam= -0.122238 E( 2 )= -11.3411 eV Re[Sigma]= -990.196598 meV Im[Sigma]= 128.788563 meV Z= 1.139261 lam= -0.122238 E( 3 )= 3.4828 eV Re[Sigma]= 265.529611 meV Im[Sigma]= 148.729415 meV Z= 0.988870 lam= 0.011255 E( 4 )= 3.4831 eV Re[Sigma]= 265.715067 meV Im[Sigma]= 149.365886 meV Z= 0.990396 lam= 0.009697 E( 5 )= 6.1660 eV Re[Sigma]= 294.913987 meV Im[Sigma]= 13.903073 meV Z= 0.925329 lam= 0.080697 E( 6 )= 6.1662 eV Re[Sigma]= 295.242524 meV Im[Sigma]= 13.704800 meV Z= 0.924403 lam= 0.081779 E( 7 )= 6.7126 eV Re[Sigma]= 282.115222 meV Im[Sigma]= 171.618262 meV Z= 1.308146 lam= -0.235559 E( 8 )= 6.7129 eV Re[Sigma]= 282.350267 meV Im[Sigma]= 172.153000 meV Z= 1.311045 lam= -0.237250 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -10.6236 eV Re[Sigma]= -1189.457436 meV Im[Sigma]= 275.355430 meV Z= 1.307336 lam= -0.235086 E( 2 )= -10.6229 eV Re[Sigma]= -1190.376531 meV Im[Sigma]= 275.813906 meV Z= 1.306565 lam= -0.234634 E( 3 )= 1.2452 eV Re[Sigma]= 229.319198 meV Im[Sigma]= 310.192183 meV Z= 1.043128 lam= -0.041345 E( 4 )= 1.3424 eV Re[Sigma]= 241.232125 meV Im[Sigma]= 267.840900 meV Z= 1.058328 lam= -0.055113 E( 5 )= 4.1060 eV Re[Sigma]= 370.707857 meV Im[Sigma]= 1154.938036 meV Z= -1.228961 lam= -1.813695 E( 6 )= 4.2190 eV Re[Sigma]= 603.388572 meV Im[Sigma]= 862.481679 meV Z= -7.097843 lam= -1.140888 E( 7 )= 6.8732 eV Re[Sigma]= 296.537295 meV Im[Sigma]= 95.535619 meV Z= 1.104670 lam= -0.094752 E( 8 )= 6.8827 eV Re[Sigma]= 295.852561 meV Im[Sigma]= 89.207274 meV Z= 1.092030 lam= -0.084274 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.503243 meV Im[Sigma]= 958.208848 meV Z= -1.376151 lam= -1.726664 E( 2 )= -10.1193 eV Re[Sigma]= -1124.000669 meV Im[Sigma]= 959.959057 meV Z= -1.359303 lam= -1.735671 E( 3 )= -0.0233 eV Re[Sigma]= 105.435467 meV Im[Sigma]= 593.794340 meV Z= -3.255906 lam= -1.307134 E( 4 )= 0.0252 eV Re[Sigma]= 175.748237 meV Im[Sigma]= 564.161080 meV Z= -18.519040 lam= -1.053998 E( 5 )= 3.8914 eV Re[Sigma]= 199.018020 meV Im[Sigma]= 493.512915 meV Z= 1.704767 lam= -0.413410 E( 6 )= 3.9450 eV Re[Sigma]= 230.999781 meV Im[Sigma]= 647.816111 meV Z= 11.448810 lam= -0.912655 E( 7 )= 5.5890 eV Re[Sigma]= 477.472309 meV Im[Sigma]= 455.060446 meV Z= 5.367549 lam= -0.813695 E( 8 )= 5.5908 eV Re[Sigma]= 479.583705 meV Im[Sigma]= 460.317921 meV Z= 5.678891 lam= -0.823909 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -8.7096 eV Re[Sigma]= -740.220825 meV Im[Sigma]= 1237.843773 meV Z= -1.004813 lam= -1.995210 E( 2 )= -8.7082 eV Re[Sigma]= -736.427031 meV Im[Sigma]= 1232.436213 meV Z= -1.015826 lam= -1.984420 E( 3 )= -1.9254 eV Re[Sigma]= 192.175946 meV Im[Sigma]= 336.006258 meV Z= 2.411380 lam= -0.585300 E( 4 )= -1.8681 eV Re[Sigma]= 219.322511 meV Im[Sigma]= 337.705585 meV Z= 2.127539 lam= -0.529973 E( 5 )= 1.0479 eV Re[Sigma]= 105.853281 meV Im[Sigma]= 391.278066 meV Z= 1.218189 lam= -0.179109 E( 6 )= 1.1244 eV Re[Sigma]= 155.172731 meV Im[Sigma]= 464.641386 meV Z= 1.456197 lam= -0.313280 E( 7 )= 4.0215 eV Re[Sigma]= 399.439908 meV Im[Sigma]= 810.144782 meV Z= -5.716834 lam= -1.174922 E( 8 )= 4.0621 eV Re[Sigma]= 496.242732 meV Im[Sigma]= 873.501851 meV Z= -2.564926 lam= -1.389875 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -7.3559 eV Re[Sigma]= -708.979785 meV Im[Sigma]= 403.385357 meV Z= 1.771309 lam= -0.435446 E( 2 )= -7.3533 eV Re[Sigma]= -707.812749 meV Im[Sigma]= 399.751346 meV Z= 1.733716 lam= -0.423204 E( 3 )= -3.6163 eV Re[Sigma]= 111.981004 meV Im[Sigma]= 552.548977 meV Z= 3.701589 lam= -0.729846 E( 4 )= -3.6087 eV Re[Sigma]= 117.871317 meV Im[Sigma]= 569.348854 meV Z= 4.531688 lam= -0.779332 E( 5 )= -0.0413 eV Re[Sigma]= 112.990654 meV Im[Sigma]= 885.714776 meV Z= -1.213019 lam= -1.824389 E( 6 )= -0.0204 eV Re[Sigma]= 167.193713 meV Im[Sigma]= 905.619064 meV Z= -1.033934 lam= -1.967180 E( 7 )= 2.9599 eV Re[Sigma]= 380.523303 meV Im[Sigma]= 1672.741593 meV Z= -0.534326 lam= -2.871517 E( 8 )= 2.9903 eV Re[Sigma]= 472.186625 meV Im[Sigma]= 1399.373010 meV Z= -1.508965 lam= -1.662706 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -8.7096 eV Re[Sigma]= -740.201504 meV Im[Sigma]= 1236.912526 meV Z= -1.006291 lam= -1.993748 E( 2 )= -8.7082 eV Re[Sigma]= -736.505930 meV Im[Sigma]= 1231.363947 meV Z= -1.017380 lam= -1.982917 E( 3 )= -1.9254 eV Re[Sigma]= 191.516568 meV Im[Sigma]= 334.423297 meV Z= 2.409927 lam= -0.585050 E( 4 )= -1.8681 eV Re[Sigma]= 218.899772 meV Im[Sigma]= 336.329527 meV Z= 2.132081 lam= -0.530975 E( 5 )= 1.0479 eV Re[Sigma]= 113.238880 meV Im[Sigma]= 386.025039 meV Z= 1.198201 lam= -0.165415 E( 6 )= 1.1244 eV Re[Sigma]= 162.996108 meV Im[Sigma]= 459.435290 meV Z= 1.429065 lam= -0.300242 E( 7 )= 4.0215 eV Re[Sigma]= 396.198790 meV Im[Sigma]= 834.637994 meV Z= -4.719062 lam= -1.211907 E( 8 )= 4.0621 eV Re[Sigma]= 494.121020 meV Im[Sigma]= 893.265121 meV Z= -2.457514 lam= -1.406915 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.211810 meV Im[Sigma]= 958.712431 meV Z= -1.373137 lam= -1.728259 E( 2 )= -10.1193 eV Re[Sigma]= -1123.628931 meV Im[Sigma]= 960.373025 meV Z= -1.356625 lam= -1.737123 E( 3 )= -0.0233 eV Re[Sigma]= 105.555781 meV Im[Sigma]= 583.764410 meV Z= -3.493946 lam= -1.286209 E( 4 )= 0.0252 eV Re[Sigma]= 173.292168 meV Im[Sigma]= 555.024189 meV Z= -25.193431 lam= -1.039693 E( 5 )= 3.8914 eV Re[Sigma]= 196.075771 meV Im[Sigma]= 498.170196 meV Z= 1.741368 lam= -0.425739 E( 6 )= 3.9450 eV Re[Sigma]= 225.924242 meV Im[Sigma]= 656.118420 meV Z= 14.089842 lam= -0.929027 E( 7 )= 5.5890 eV Re[Sigma]= 472.722046 meV Im[Sigma]= 442.486304 meV Z= 4.772732 lam= -0.790476 E( 8 )= 5.5908 eV Re[Sigma]= 474.422268 meV Im[Sigma]= 447.452939 meV Z= 5.019198 lam= -0.800765 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1054.959496 meV Im[Sigma]= 1016.053487 meV Z= -2.346969 lam= -1.426081 E( 2 )= -8.9136 eV Re[Sigma]= -1055.218728 meV Im[Sigma]= 1017.205872 meV Z= -2.332219 lam= -1.428776 E( 3 )= -3.2141 eV Re[Sigma]= 573.012768 meV Im[Sigma]= 755.740164 meV Z= -37.970921 lam= -1.026336 E( 4 )= -3.1889 eV Re[Sigma]= 601.096213 meV Im[Sigma]= 689.423562 meV Z= 4.786636 lam= -0.791085 E( 5 )= 2.4951 eV Re[Sigma]= -101.619012 meV Im[Sigma]= 597.863516 meV Z= 1.066864 lam= -0.062673 E( 6 )= 2.5270 eV Re[Sigma]= -104.456642 meV Im[Sigma]= 578.340505 meV Z= 0.847111 lam= 0.180483 E( 7 )= 5.4585 eV Re[Sigma]= 302.498057 meV Im[Sigma]= 317.151969 meV Z= 1.726828 lam= -0.420903 E( 8 )= 5.4623 eV Re[Sigma]= 304.674182 meV Im[Sigma]= 320.231936 meV Z= 1.765488 lam= -0.433584 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -740.713381 meV Im[Sigma]= 1238.731884 meV Z= -1.002424 lam= -1.997582 E( 2 )= -8.7077 eV Re[Sigma]= -734.979493 meV Im[Sigma]= 1230.203710 meV Z= -1.019585 lam= -1.980791 E( 3 )= -1.9243 eV Re[Sigma]= 194.656451 meV Im[Sigma]= 335.494134 meV Z= 2.411317 lam= -0.585289 E( 4 )= -1.8692 eV Re[Sigma]= 220.431008 meV Im[Sigma]= 337.628201 meV Z= 2.144970 lam= -0.533793 E( 5 )= 1.0479 eV Re[Sigma]= 114.444554 meV Im[Sigma]= 388.758575 meV Z= 1.197040 lam= -0.164606 E( 6 )= 1.1243 eV Re[Sigma]= 162.162121 meV Im[Sigma]= 461.850225 meV Z= 1.424924 lam= -0.298208 E( 7 )= 4.0214 eV Re[Sigma]= 402.005861 meV Im[Sigma]= 832.348043 meV Z= -4.756594 lam= -1.210234 E( 8 )= 4.0623 eV Re[Sigma]= 501.546164 meV Im[Sigma]= 894.075079 meV Z= -2.409661 lam= -1.414996 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -735.535242 meV Im[Sigma]= 1012.537438 meV Z= -3.578197 lam= -1.279470 E( 2 )= -7.6743 eV Re[Sigma]= -734.141663 meV Im[Sigma]= 1014.085605 meV Z= -3.543978 lam= -1.282169 E( 3 )= -3.2961 eV Re[Sigma]= 320.687819 meV Im[Sigma]= 528.886479 meV Z= 2.703795 lam= -0.630149 E( 4 )= -3.2764 eV Re[Sigma]= 342.509798 meV Im[Sigma]= 553.760216 meV Z= 5.860192 lam= -0.829357 E( 5 )= 0.5424 eV Re[Sigma]= 168.203992 meV Im[Sigma]= 388.532327 meV Z= 2.076820 lam= -0.518495 E( 6 )= 0.5642 eV Re[Sigma]= 187.415050 meV Im[Sigma]= 388.439466 meV Z= 2.031945 lam= -0.507861 E( 7 )= 2.3784 eV Re[Sigma]= -65.503234 meV Im[Sigma]= 517.647137 meV Z= 2.060944 lam= -0.514785 E( 8 )= 2.3802 eV Re[Sigma]= -62.664987 meV Im[Sigma]= 520.620972 meV Z= 2.096809 lam= -0.523085 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -6.7933 eV Re[Sigma]= -679.466146 meV Im[Sigma]= 1.152799 meV Z= 0.655063 lam= 0.526570 E( 2 )= -6.7899 eV Re[Sigma]= -681.119354 meV Im[Sigma]= 1.114208 meV Z= 0.655410 lam= 0.525763 E( 3 )= -3.5364 eV Re[Sigma]= 44.682160 meV Im[Sigma]= 648.834832 meV Z= 1.908703 lam= -0.476084 E( 4 )= -3.5273 eV Re[Sigma]= 42.761098 meV Im[Sigma]= 682.906280 meV Z= 1.702241 lam= -0.412539 E( 5 )= -0.4605 eV Re[Sigma]= 23.678433 meV Im[Sigma]= 292.553429 meV Z= 1.258038 lam= -0.205111 E( 6 )= -0.4580 eV Re[Sigma]= 21.433459 meV Im[Sigma]= 290.149511 meV Z= 1.241281 lam= -0.194381 E( 7 )= 1.4150 eV Re[Sigma]= 401.853004 meV Im[Sigma]= 417.814525 meV Z= 1.132115 lam= -0.116697 E( 8 )= 1.4368 eV Re[Sigma]= 392.389026 meV Im[Sigma]= 356.674807 meV Z= 1.044053 lam= -0.042194 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -7.3559 eV Re[Sigma]= -708.822398 meV Im[Sigma]= 403.233460 meV Z= 1.770379 lam= -0.435149 E( 2 )= -7.3533 eV Re[Sigma]= -707.658013 meV Im[Sigma]= 399.588534 meV Z= 1.732812 lam= -0.422903 E( 3 )= -3.6163 eV Re[Sigma]= 111.404338 meV Im[Sigma]= 551.508426 meV Z= 3.664383 lam= -0.727103 E( 4 )= -3.6087 eV Re[Sigma]= 117.251889 meV Im[Sigma]= 568.005707 meV Z= 4.449486 lam= -0.775255 E( 5 )= -0.0413 eV Re[Sigma]= 115.603987 meV Im[Sigma]= 881.363276 meV Z= -1.234589 lam= -1.809986 E( 6 )= -0.0204 eV Re[Sigma]= 170.491423 meV Im[Sigma]= 902.032400 meV Z= -1.043758 lam= -1.958077 E( 7 )= 2.9599 eV Re[Sigma]= 376.227506 meV Im[Sigma]= 1660.124402 meV Z= -0.542183 lam= -2.844394 E( 8 )= 2.9903 eV Re[Sigma]= 467.341474 meV Im[Sigma]= 1389.799400 meV Z= -1.541447 lam= -1.648741 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.2710 eV Re[Sigma]= -789.001991 meV Im[Sigma]= 531.649745 meV Z= 4.009336 lam= -0.750582 E( 2 )= -8.2690 eV Re[Sigma]= -787.833371 meV Im[Sigma]= 531.797921 meV Z= 4.005946 lam= -0.750371 E( 3 )= -4.6268 eV Re[Sigma]= 485.172691 meV Im[Sigma]= 251.123136 meV Z= 1.383727 lam= -0.277314 E( 4 )= -4.6137 eV Re[Sigma]= 492.239279 meV Im[Sigma]= 252.144372 meV Z= 1.382304 lam= -0.276570 E( 5 )= 2.8526 eV Re[Sigma]= 243.462699 meV Im[Sigma]= 1205.659539 meV Z= 3.736577 lam= -0.732375 E( 6 )= 2.8702 eV Re[Sigma]= 306.902628 meV Im[Sigma]= 1439.387418 meV Z= -1.160462 lam= -1.861725 E( 7 )= 4.6663 eV Re[Sigma]= 440.295006 meV Im[Sigma]= 274.159333 meV Z= 1.367268 lam= -0.268614 E( 8 )= 4.6703 eV Re[Sigma]= 442.857810 meV Im[Sigma]= 276.505432 meV Z= 1.400133 lam= -0.285782 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -8.2709 eV Re[Sigma]= -788.225737 meV Im[Sigma]= 532.126279 meV Z= 4.020430 lam= -0.751270 E( 2 )= -8.2690 eV Re[Sigma]= -787.093014 meV Im[Sigma]= 532.213585 meV Z= 4.013589 lam= -0.750846 E( 3 )= -4.6267 eV Re[Sigma]= 483.057068 meV Im[Sigma]= 251.723780 meV Z= 1.386428 lam= -0.278722 E( 4 )= -4.6138 eV Re[Sigma]= 489.797584 meV Im[Sigma]= 252.773023 meV Z= 1.385044 lam= -0.278001 E( 5 )= 2.8539 eV Re[Sigma]= 277.982391 meV Im[Sigma]= 1174.986390 meV Z= 2.961848 lam= -0.662373 E( 6 )= 2.8692 eV Re[Sigma]= 336.226192 meV Im[Sigma]= 1395.416245 meV Z= -1.392947 lam= -1.717902 E( 7 )= 4.6673 eV Re[Sigma]= 441.744575 meV Im[Sigma]= 276.565117 meV Z= 1.382796 lam= -0.276828 E( 8 )= 4.6689 eV Re[Sigma]= 443.457076 meV Im[Sigma]= 277.707259 meV Z= 1.402392 lam= -0.286932 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -708.958742 meV Im[Sigma]= 402.638340 meV Z= 1.765201 lam= -0.433492 E( 2 )= -7.3536 eV Re[Sigma]= -707.868330 meV Im[Sigma]= 399.773637 meV Z= 1.735684 lam= -0.423858 E( 3 )= -3.6171 eV Re[Sigma]= 109.307379 meV Im[Sigma]= 548.379927 meV Z= 3.570892 lam= -0.719958 E( 4 )= -3.6080 eV Re[Sigma]= 116.328043 meV Im[Sigma]= 566.134509 meV Z= 4.414081 lam= -0.773452 E( 5 )= -0.0412 eV Re[Sigma]= 111.477573 meV Im[Sigma]= 888.118308 meV Z= -1.202544 lam= -1.831570 E( 6 )= -0.0202 eV Re[Sigma]= 165.173744 meV Im[Sigma]= 908.016524 meV Z= -1.026595 lam= -1.974094 E( 7 )= 2.9592 eV Re[Sigma]= 354.764094 meV Im[Sigma]= 1610.825934 meV Z= -0.569710 lam= -2.755280 E( 8 )= 2.9909 eV Re[Sigma]= 444.450091 meV Im[Sigma]= 1350.537049 meV Z= -1.663275 lam= -1.601224 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 1 )= -6.7922 eV Re[Sigma]= -679.937418 meV Im[Sigma]= 1.149746 meV Z= 0.655095 lam= 0.526495 E( 2 )= -6.7909 eV Re[Sigma]= -680.446269 meV Im[Sigma]= 1.126186 meV Z= 0.655461 lam= 0.525644 E( 3 )= -3.5378 eV Re[Sigma]= 46.842683 meV Im[Sigma]= 644.970479 meV Z= 1.955383 lam= -0.488591 E( 4 )= -3.5264 eV Re[Sigma]= 45.730864 meV Im[Sigma]= 682.296235 meV Z= 1.694297 lam= -0.409785 E( 5 )= -0.4630 eV Re[Sigma]= 21.321067 meV Im[Sigma]= 293.001462 meV Z= 1.254585 lam= -0.202924 E( 6 )= -0.4548 eV Re[Sigma]= 19.908649 meV Im[Sigma]= 289.465581 meV Z= 1.224442 lam= -0.183301 E( 7 )= 1.4118 eV Re[Sigma]= 402.636508 meV Im[Sigma]= 425.350554 meV Z= 1.146210 lam= -0.127559 E( 8 )= 1.4397 eV Re[Sigma]= 393.187852 meV Im[Sigma]= 358.419402 meV Z= 1.049839 lam= -0.047473 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 1 )= -7.6750 eV Re[Sigma]= -735.365321 meV Im[Sigma]= 1013.308483 meV Z= -3.556238 lam= -1.281196 E( 2 )= -7.6743 eV Re[Sigma]= -733.913441 meV Im[Sigma]= 1014.700896 meV Z= -3.527568 lam= -1.283481 E( 3 )= -3.2961 eV Re[Sigma]= 321.251565 meV Im[Sigma]= 531.268899 meV Z= 2.743149 lam= -0.635455 E( 4 )= -3.2764 eV Re[Sigma]= 343.192211 meV Im[Sigma]= 556.477599 meV Z= 6.081565 lam= -0.835569 E( 5 )= 0.5424 eV Re[Sigma]= 168.216335 meV Im[Sigma]= 386.278046 meV Z= 2.050192 lam= -0.512241 E( 6 )= 0.5642 eV Re[Sigma]= 186.999994 meV Im[Sigma]= 386.331565 meV Z= 2.006859 lam= -0.501709 E( 7 )= 2.3784 eV Re[Sigma]= -68.281584 meV Im[Sigma]= 517.586893 meV Z= 2.043409 lam= -0.510622 E( 8 )= 2.3802 eV Re[Sigma]= -65.223472 meV Im[Sigma]= 521.327277 meV Z= 2.091505 lam= -0.521875 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 1 )= -8.7096 eV Re[Sigma]= -739.794367 meV Im[Sigma]= 1237.419192 meV Z= -1.005622 lam= -1.994410 E( 2 )= -8.7082 eV Re[Sigma]= -735.979139 meV Im[Sigma]= 1231.973267 meV Z= -1.016725 lam= -1.983550 E( 3 )= -1.9254 eV Re[Sigma]= 191.095528 meV Im[Sigma]= 334.347401 meV Z= 2.384192 lam= -0.580571 E( 4 )= -1.8681 eV Re[Sigma]= 218.986324 meV Im[Sigma]= 336.158934 meV Z= 2.109699 lam= -0.525999 E( 5 )= 1.0479 eV Re[Sigma]= 105.560417 meV Im[Sigma]= 388.674080 meV Z= 1.208729 lam= -0.172684 E( 6 )= 1.1244 eV Re[Sigma]= 154.532564 meV Im[Sigma]= 461.864239 meV Z= 1.442308 lam= -0.306667 E( 7 )= 4.0215 eV Re[Sigma]= 399.652857 meV Im[Sigma]= 811.797700 meV Z= -5.747488 lam= -1.173989 E( 8 )= 4.0621 eV Re[Sigma]= 497.362558 meV Im[Sigma]= 878.095084 meV Z= -2.476790 lam= -1.403748 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.181893 meV Im[Sigma]= 1016.102830 meV Z= -2.351236 lam= -1.425308 E( 2 )= -8.9135 eV Re[Sigma]= -1054.958481 meV Im[Sigma]= 1017.710861 meV Z= -2.334954 lam= -1.428274 E( 3 )= -3.2145 eV Re[Sigma]= 569.656908 meV Im[Sigma]= 757.556647 meV Z= -28.087974 lam= -1.035602 E( 4 )= -3.1886 eV Re[Sigma]= 598.681746 meV Im[Sigma]= 689.734556 meV Z= 4.829501 lam= -0.792939 E( 5 )= 2.4955 eV Re[Sigma]= -91.418327 meV Im[Sigma]= 606.297140 meV Z= 1.129124 lam= -0.114358 E( 6 )= 2.5270 eV Re[Sigma]= -92.143191 meV Im[Sigma]= 588.297971 meV Z= 0.892310 lam= 0.120686 E( 7 )= 5.4585 eV Re[Sigma]= 304.099225 meV Im[Sigma]= 318.943889 meV Z= 1.758748 lam= -0.431414 E( 8 )= 5.4617 eV Re[Sigma]= 305.834919 meV Im[Sigma]= 321.555605 meV Z= 1.789987 lam= -0.441337 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 1 )= -10.1203 eV Re[Sigma]= -1125.514545 meV Im[Sigma]= 959.301615 meV Z= -1.370613 lam= -1.729600 E( 2 )= -10.1193 eV Re[Sigma]= -1124.005167 meV Im[Sigma]= 961.015161 meV Z= -1.354517 lam= -1.738271 E( 3 )= -0.0230 eV Re[Sigma]= 102.856620 meV Im[Sigma]= 592.199783 meV Z= -3.359989 lam= -1.297620 E( 4 )= 0.0250 eV Re[Sigma]= 171.293406 meV Im[Sigma]= 563.161734 meV Z= -20.308300 lam= -1.049241 E( 5 )= 3.8919 eV Re[Sigma]= 203.867175 meV Im[Sigma]= 487.131837 meV Z= 1.681205 lam= -0.405188 E( 6 )= 3.9455 eV Re[Sigma]= 233.745571 meV Im[Sigma]= 639.165310 meV Z= 9.796590 lam= -0.897924 E( 7 )= 5.5884 eV Re[Sigma]= 476.597822 meV Im[Sigma]= 463.002939 meV Z= 5.683409 lam= -0.824049 E( 8 )= 5.5902 eV Re[Sigma]= 478.815035 meV Im[Sigma]= 467.532700 meV Z= 5.959732 lam= -0.832207 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -740.664317 meV Im[Sigma]= 1237.498502 meV Z= -1.006904 lam= -1.993143 E( 2 )= -8.7077 eV Re[Sigma]= -735.708246 meV Im[Sigma]= 1229.621789 meV Z= -1.023203 lam= -1.977323 E( 3 )= -1.9248 eV Re[Sigma]= 192.963108 meV Im[Sigma]= 334.650987 meV Z= 2.406049 lam= -0.584381 E( 4 )= -1.8691 eV Re[Sigma]= 219.531760 meV Im[Sigma]= 336.971879 meV Z= 2.139927 lam= -0.532694 E( 5 )= 1.0492 eV Re[Sigma]= 103.945103 meV Im[Sigma]= 392.089987 meV Z= 1.228563 lam= -0.186041 E( 6 )= 1.1242 eV Re[Sigma]= 153.574889 meV Im[Sigma]= 464.108643 meV Z= 1.458911 lam= -0.314557 E( 7 )= 4.0221 eV Re[Sigma]= 400.483543 meV Im[Sigma]= 810.220562 meV Z= -5.602232 lam= -1.178500 E( 8 )= 4.0609 eV Re[Sigma]= 496.245082 meV Im[Sigma]= 876.909338 meV Z= -2.438809 lam= -1.410036 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 1 )= -7.3556 eV Re[Sigma]= -709.024647 meV Im[Sigma]= 402.711664 meV Z= 1.765289 lam= -0.433521 E( 2 )= -7.3536 eV Re[Sigma]= -707.941512 meV Im[Sigma]= 399.818986 meV Z= 1.735535 lam= -0.423809 E( 3 )= -3.6171 eV Re[Sigma]= 109.690319 meV Im[Sigma]= 546.616063 meV Z= 3.515200 lam= -0.715521 E( 4 )= -3.6080 eV Re[Sigma]= 116.342207 meV Im[Sigma]= 564.252499 meV Z= 4.299169 lam= -0.767397 E( 5 )= -0.0412 eV Re[Sigma]= 110.183896 meV Im[Sigma]= 880.664635 meV Z= -1.225463 lam= -1.816018 E( 6 )= -0.0202 eV Re[Sigma]= 162.384091 meV Im[Sigma]= 899.878809 meV Z= -1.047380 lam= -1.954764 E( 7 )= 2.9592 eV Re[Sigma]= 349.506724 meV Im[Sigma]= 1600.283808 meV Z= -0.578452 lam= -2.728752 E( 8 )= 2.9909 eV Re[Sigma]= 439.078099 meV Im[Sigma]= 1342.924557 meV Z= -1.708174 lam= -1.585420 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.7101 eV Re[Sigma]= -740.933281 meV Im[Sigma]= 1238.589959 meV Z= -1.003036 lam= -1.996973 E( 2 )= -8.7077 eV Re[Sigma]= -735.244772 meV Im[Sigma]= 1230.173295 meV Z= -1.019983 lam= -1.980409 E( 3 )= -1.9243 eV Re[Sigma]= 197.732562 meV Im[Sigma]= 335.470485 meV Z= 2.431242 lam= -0.588688 E( 4 )= -1.8692 eV Re[Sigma]= 224.510700 meV Im[Sigma]= 337.070489 meV Z= 2.154577 lam= -0.535872 E( 5 )= 1.0479 eV Re[Sigma]= 109.172368 meV Im[Sigma]= 388.353166 meV Z= 1.187967 lam= -0.158226 E( 6 )= 1.1243 eV Re[Sigma]= 157.852387 meV Im[Sigma]= 463.633520 meV Z= 1.421078 lam= -0.296309 E( 7 )= 4.0214 eV Re[Sigma]= 402.824588 meV Im[Sigma]= 834.234119 meV Z= -4.758138 lam= -1.210166 E( 8 )= 4.0623 eV Re[Sigma]= 503.814832 meV Im[Sigma]= 896.411343 meV Z= -2.391543 lam= -1.418140 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 1 )= -10.1204 eV Re[Sigma]= -1125.383632 meV Im[Sigma]= 958.609079 meV Z= -1.374383 lam= -1.727599 E( 2 )= -10.1193 eV Re[Sigma]= -1123.868116 meV Im[Sigma]= 960.309944 meV Z= -1.357773 lam= -1.736500 E( 3 )= -0.0233 eV Re[Sigma]= 104.664246 meV Im[Sigma]= 583.734947 meV Z= -3.550548 lam= -1.281647 E( 4 )= 0.0252 eV Re[Sigma]= 172.369776 meV Im[Sigma]= 555.851860 meV Z= -24.780361 lam= -1.040355 E( 5 )= 3.8914 eV Re[Sigma]= 197.893996 meV Im[Sigma]= 501.695849 meV Z= 1.758980 lam= -0.431489 E( 6 )= 3.9450 eV Re[Sigma]= 229.584882 meV Im[Sigma]= 655.678514 meV Z= 14.071226 lam= -0.928933 E( 7 )= 5.5890 eV Re[Sigma]= 480.817438 meV Im[Sigma]= 446.405759 meV Z= 4.666955 lam= -0.785728 E( 8 )= 5.5908 eV Re[Sigma]= 482.921898 meV Im[Sigma]= 451.235697 meV Z= 4.875103 lam= -0.794876 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 1 )= -10.6238 eV Re[Sigma]= -1189.854664 meV Im[Sigma]= 275.509838 meV Z= 1.308054 lam= -0.235506 E( 2 )= -10.6225 eV Re[Sigma]= -1190.401061 meV Im[Sigma]= 275.895930 meV Z= 1.306562 lam= -0.234633 E( 3 )= 1.2451 eV Re[Sigma]= 233.893157 meV Im[Sigma]= 310.539023 meV Z= 1.053219 lam= -0.050530 E( 4 )= 1.3431 eV Re[Sigma]= 245.480911 meV Im[Sigma]= 263.946396 meV Z= 1.054087 lam= -0.051311 E( 5 )= 4.1064 eV Re[Sigma]= 374.329074 meV Im[Sigma]= 1176.046064 meV Z= -1.197001 lam= -1.835421 E( 6 )= 4.2181 eV Re[Sigma]= 610.060372 meV Im[Sigma]= 877.918854 meV Z= -6.119262 lam= -1.163418 E( 7 )= 6.8740 eV Re[Sigma]= 295.704260 meV Im[Sigma]= 91.099764 meV Z= 1.096776 lam= -0.088237 E( 8 )= 6.8817 eV Re[Sigma]= 294.945702 meV Im[Sigma]= 86.068159 meV Z= 1.087305 lam= -0.080295 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 1 )= -11.3410 eV Re[Sigma]= -990.383698 meV Im[Sigma]= 128.709317 meV Z= 1.138854 lam= -0.121924 E( 2 )= -11.3410 eV Re[Sigma]= -990.383698 meV Im[Sigma]= 128.709317 meV Z= 1.138854 lam= -0.121924 E( 3 )= 3.4833 eV Re[Sigma]= 273.284139 meV Im[Sigma]= 143.991406 meV Z= 0.970674 lam= 0.030212 E( 4 )= 3.4833 eV Re[Sigma]= 273.284139 meV Im[Sigma]= 143.991406 meV Z= 0.970674 lam= 0.030212 E( 5 )= 6.1662 eV Re[Sigma]= 294.011122 meV Im[Sigma]= 15.591164 meV Z= 0.927012 lam= 0.078735 E( 6 )= 6.1662 eV Re[Sigma]= 294.011122 meV Im[Sigma]= 15.591164 meV Z= 0.927012 lam= 0.078735 E( 7 )= 6.7121 eV Re[Sigma]= 278.813633 meV Im[Sigma]= 173.631556 meV Z= 1.307442 lam= -0.235148 E( 8 )= 6.7121 eV Re[Sigma]= 278.813633 meV Im[Sigma]= 173.631556 meV Z= 1.307442 lam= -0.235148 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 1 )= -10.1203 eV Re[Sigma]= -1125.402384 meV Im[Sigma]= 959.089766 meV Z= -1.371504 lam= -1.729126 E( 2 )= -10.1193 eV Re[Sigma]= -1123.877493 meV Im[Sigma]= 960.787504 meV Z= -1.355407 lam= -1.737786 E( 3 )= -0.0230 eV Re[Sigma]= 102.592771 meV Im[Sigma]= 591.299866 meV Z= -3.412112 lam= -1.293074 E( 4 )= 0.0250 eV Re[Sigma]= 170.989770 meV Im[Sigma]= 562.886153 meV Z= -20.665887 lam= -1.048389 E( 5 )= 3.8919 eV Re[Sigma]= 205.024144 meV Im[Sigma]= 480.437020 meV Z= 1.640773 lam= -0.390531 E( 6 )= 3.9455 eV Re[Sigma]= 234.175382 meV Im[Sigma]= 632.530399 meV Z= 8.491568 lam= -0.882236 E( 7 )= 5.5884 eV Re[Sigma]= 473.933394 meV Im[Sigma]= 457.747395 meV Z= 5.518320 lam= -0.818785 E( 8 )= 5.5902 eV Re[Sigma]= 476.066811 meV Im[Sigma]= 463.050733 meV Z= 5.846084 lam= -0.828945 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 1 )= -8.2709 eV Re[Sigma]= -788.289489 meV Im[Sigma]= 531.570250 meV Z= 4.000992 lam= -0.750062 E( 2 )= -8.2690 eV Re[Sigma]= -787.166292 meV Im[Sigma]= 531.699302 meV Z= 3.996352 lam= -0.749772 E( 3 )= -4.6267 eV Re[Sigma]= 483.422460 meV Im[Sigma]= 251.977465 meV Z= 1.386871 lam= -0.278952 E( 4 )= -4.6138 eV Re[Sigma]= 490.147918 meV Im[Sigma]= 253.027422 meV Z= 1.385594 lam= -0.278288 E( 5 )= 2.8539 eV Re[Sigma]= 273.889965 meV Im[Sigma]= 1180.030219 meV Z= 3.117923 lam= -0.679274 E( 6 )= 2.8692 eV Re[Sigma]= 332.780642 meV Im[Sigma]= 1401.708947 meV Z= -1.354543 lam= -1.738257 E( 7 )= 4.6673 eV Re[Sigma]= 440.859690 meV Im[Sigma]= 270.164185 meV Z= 1.352037 lam= -0.260375 E( 8 )= 4.6689 eV Re[Sigma]= 442.603033 meV Im[Sigma]= 270.665856 meV Z= 1.367502 lam= -0.268740 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 1 )= -8.9138 eV Re[Sigma]= -1055.315922 meV Im[Sigma]= 1016.060935 meV Z= -2.351815 lam= -1.425204 E( 2 )= -8.9136 eV Re[Sigma]= -1055.583497 meV Im[Sigma]= 1017.206250 meV Z= -2.336931 lam= -1.427912 E( 3 )= -3.2141 eV Re[Sigma]= 571.099087 meV Im[Sigma]= 752.110085 meV Z= -47.612910 lam= -1.021003 E( 4 )= -3.1889 eV Re[Sigma]= 599.156221 meV Im[Sigma]= 686.551581 meV Z= 4.715502 lam= -0.787933 E( 5 )= 2.4951 eV Re[Sigma]= -100.307253 meV Im[Sigma]= 601.428281 meV Z= 1.080244 lam= -0.074283 E( 6 )= 2.5270 eV Re[Sigma]= -102.853615 meV Im[Sigma]= 581.150744 meV Z= 0.853918 lam= 0.171073 E( 7 )= 5.4585 eV Re[Sigma]= 302.178221 meV Im[Sigma]= 318.167110 meV Z= 1.726248 lam= -0.420709 E( 8 )= 5.4623 eV Re[Sigma]= 304.276904 meV Im[Sigma]= 321.234534 meV Z= 1.764230 lam= -0.433180 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 1 )= -10.6236 eV Re[Sigma]= -1189.359768 meV Im[Sigma]= 275.303782 meV Z= 1.307230 lam= -0.235024 E( 2 )= -10.6229 eV Re[Sigma]= -1190.311729 meV Im[Sigma]= 275.701259 meV Z= 1.306196 lam= -0.234418 E( 3 )= 1.2452 eV Re[Sigma]= 226.353782 meV Im[Sigma]= 310.248318 meV Z= 1.063737 lam= -0.059918 E( 4 )= 1.3424 eV Re[Sigma]= 239.372584 meV Im[Sigma]= 268.393417 meV Z= 1.074505 lam= -0.069339 E( 5 )= 4.1060 eV Re[Sigma]= 371.668749 meV Im[Sigma]= 1156.847818 meV Z= -1.222526 lam= -1.817979 E( 6 )= 4.2190 eV Re[Sigma]= 606.096093 meV Im[Sigma]= 862.519444 meV Z= -7.937108 lam= -1.125990 E( 7 )= 6.8732 eV Re[Sigma]= 293.640927 meV Im[Sigma]= 90.356910 meV Z= 1.094907 lam= -0.086681 E( 8 )= 6.8827 eV Re[Sigma]= 292.859276 meV Im[Sigma]= 84.236199 meV Z= 1.082982 lam= -0.076624 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 1 )= -11.5411 eV Re[Sigma]= -971.126705 meV Im[Sigma]= 144.020248 meV Z= 1.274269 lam= -0.215236 E( 2 )= -11.5411 eV Re[Sigma]= -971.131384 meV Im[Sigma]= 144.015547 meV Z= 1.274248 lam= -0.215223 E( 3 )= 3.4588 eV Re[Sigma]= 186.086167 meV Im[Sigma]= 305.207823 meV Z= 1.631833 lam= -0.387192 E( 4 )= 3.4589 eV Re[Sigma]= 186.115181 meV Im[Sigma]= 304.787371 meV Z= 1.629727 lam= -0.386400 E( 5 )= 6.4109 eV Re[Sigma]= 291.656528 meV Im[Sigma]= 79.735214 meV Z= 1.081895 lam= -0.075696 E( 6 )= 6.4111 eV Re[Sigma]= 291.710791 meV Im[Sigma]= 79.589116 meV Z= 1.081414 lam= -0.075285 E( 7 )= 7.7957 eV Re[Sigma]= 231.701239 meV Im[Sigma]= 12.944212 meV Z= 1.000607 lam= -0.000606 E( 8 )= 7.7982 eV Re[Sigma]= 232.243572 meV Im[Sigma]= 12.842205 meV Z= 1.000280 lam= -0.000279 ------------------------------------------------------------------- 1 1 -12.1630 -902.2642 0.0000 0.8940 0.1186 2 1 -11.5411 -971.1684 144.0188 1.2743 -0.2152 3 1 -10.0072 -664.6787 1370.8937 -1.0002 -1.9998 4 1 -8.2813 -847.6360 28.8894 0.7734 0.2930 5 1 -10.0072 -663.7331 1371.9116 -0.9981 -2.0019 6 1 -11.5411 -970.9637 143.9385 1.2739 -0.2150 7 1 -11.5411 -971.0369 143.9898 1.2742 -0.2152 8 1 -11.3411 -990.2909 128.6414 1.1387 -0.1218 9 1 -10.1204 -1125.9834 958.8220 -1.3739 -1.7279 10 1 -8.2710 -788.1493 532.9283 4.0545 -0.7534 11 1 -8.9138 -1054.9954 1014.0615 -2.3615 -1.4235 12 1 -10.6238 -1189.4258 275.4459 1.3079 -0.2354 13 1 -10.0072 -663.8130 1372.3875 -0.9974 -2.0026 14 1 -10.1204 -1125.3200 957.7653 -1.3782 -1.7256 15 1 -9.2916 -1209.9371 264.8356 0.6059 0.6503 16 1 -7.6750 -736.0358 1013.2363 -3.5814 -1.2792 17 1 -7.4030 -368.1612 890.1584 3.0196 -0.6688 18 1 -8.9138 -1055.6624 1015.6837 -2.3446 -1.4265 19 1 -8.2813 -847.6505 28.9170 0.7733 0.2931 20 1 -8.2710 -788.4625 532.1697 4.0345 -0.7521 21 1 -7.6750 -734.8350 1010.9689 -3.6142 -1.2767 22 1 -6.6812 -672.3881 0.8212 0.7677 0.3026 23 1 -7.6750 -735.4260 1013.4115 -3.5637 -1.2806 24 1 -8.2710 -787.9716 531.8270 4.0071 -0.7504 25 1 -10.0072 -664.3842 1372.2826 -0.9977 -2.0023 26 1 -8.9138 -1055.7507 1015.6627 -2.3530 -1.4250 27 1 -7.4030 -368.4204 891.2820 3.0435 -0.6714 28 1 -7.6750 -735.0202 1013.3985 -3.5407 -1.2824 29 1 -9.2916 -1209.2467 264.8972 0.6061 0.6500 30 1 -10.1204 -1125.7203 959.4278 -1.3714 -1.7292 31 1 -11.5411 -971.2523 144.0037 1.2741 -0.2152 32 1 -10.6238 -1189.1932 275.3616 1.3089 -0.2360 33 1 -8.9138 -1055.9460 1016.3055 -2.3454 -1.4264 34 1 -8.2710 -788.7334 531.7012 4.0096 -0.7506 35 1 -10.1204 -1125.3913 958.2553 -1.3767 -1.7264 36 1 -11.3411 -990.3169 128.7239 1.1391 -0.1221 37 1 -11.5411 -971.0495 144.0257 1.2743 -0.2153 38 1 -11.3411 -990.2947 128.6519 1.1388 -0.1219 39 1 -10.1204 -1125.7726 958.2439 -1.3760 -1.7268 40 1 -8.2710 -788.4847 532.2213 4.0231 -0.7514 41 1 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529.8498 2.2859 -0.5625 134 7 1.4120 400.0576 423.9724 1.1528 -0.1326 135 7 2.9592 381.1257 1665.2179 -0.5388 -2.8561 136 7 4.6663 447.1912 279.8245 1.4034 -0.2874 137 7 5.4585 309.3025 314.3122 1.7104 -0.4153 138 7 4.0221 404.7519 824.2700 -4.8617 -1.2057 139 7 4.6673 440.5141 285.2908 1.4070 -0.2893 140 7 2.9592 357.0984 1601.3395 -0.5748 -2.7396 141 7 1.4118 402.8392 423.8242 1.1377 -0.1210 142 7 2.3784 -70.9287 530.0049 2.1020 -0.5243 143 7 4.0215 393.9251 805.2086 -6.5790 -1.1520 144 7 5.4585 306.3534 314.3858 1.7117 -0.4158 145 7 6.7126 354.3219 105.0024 1.1410 -0.1236 146 7 5.4585 303.9009 320.6166 1.7549 -0.4302 147 7 3.4954 577.4493 446.9833 1.5840 -0.3687 148 7 2.3784 -74.9012 527.1466 2.1114 -0.5264 149 7 3.4267 234.3129 184.3892 0.9730 0.0277 150 7 5.5890 473.5239 441.8925 4.7018 -0.7873 151 7 5.4585 302.1648 320.3694 1.7518 -0.4292 152 7 4.6663 444.8596 278.2903 1.3824 -0.2766 153 7 2.9599 356.9976 1613.9645 -0.5684 -2.7593 154 7 1.4150 399.3369 414.5153 1.1321 -0.1167 155 7 2.3784 -74.1199 527.1939 2.1310 -0.5307 156 7 4.0214 396.0314 822.0580 -5.3346 -1.1875 157 7 3.4954 563.6971 443.9053 1.5572 -0.3578 158 7 2.9592 382.3655 1668.8153 -0.5345 -2.8708 159 7 3.4954 570.3392 475.9234 1.8033 -0.4455 160 7 2.9599 354.4687 1600.7139 -0.5790 -2.7272 161 7 3.4954 578.7720 448.5071 1.5948 -0.3730 162 7 2.9592 384.0892 1668.3339 -0.5356 -2.8670 163 7 2.3792 -58.7409 530.9915 2.1733 -0.5399 164 7 1.4120 398.8685 423.3829 1.1487 -0.1294 165 7 2.9592 377.6848 1660.8673 -0.5399 -2.8521 166 7 4.6663 443.5083 276.2324 1.3678 -0.2689 167 7 5.4585 303.9310 321.4731 1.7621 -0.4325 168 7 4.0221 399.9371 812.1964 -5.4470 -1.1836 169 7 3.4267 241.5812 184.3558 0.9771 0.0234 170 7 2.3792 -58.4578 532.9220 2.2237 -0.5503 171 7 3.4954 564.8542 451.7424 1.6280 -0.3857 172 7 5.4585 301.6468 319.4514 1.7500 -0.4286 173 7 6.7126 354.2501 102.1566 1.1334 -0.1177 174 7 5.5884 478.8148 457.4153 5.4098 -0.8152 175 7 5.5884 479.9320 466.9598 6.1089 -0.8363 176 7 4.0221 403.5720 813.4039 -5.2325 -1.1911 177 7 2.9592 376.7454 1654.2359 -0.5440 -2.8381 178 7 4.0214 391.3478 819.4739 -5.6312 -1.1776 179 7 5.5890 475.5296 446.0612 4.7653 -0.7902 180 7 6.8740 294.5511 85.4649 1.0838 -0.0773 181 7 7.7957 231.7220 12.7533 1.0001 -0.0001 182 7 6.8740 293.2961 86.2163 1.0894 -0.0821 183 7 5.4585 306.5383 314.2873 1.7430 -0.4263 184 7 4.6663 442.8690 279.3171 1.3892 -0.2801 185 7 5.5890 477.2031 453.9334 5.2697 -0.8102 186 7 6.7126 282.1152 171.6183 1.3081 -0.2356 187 7 6.8732 296.5373 95.5356 1.1047 -0.0948 188 7 5.5890 477.4723 455.0604 5.3675 -0.8137 189 7 4.0215 399.4399 810.1448 -5.7168 -1.1749 190 7 2.9599 380.5233 1672.7416 -0.5343 -2.8715 191 7 4.0215 396.1988 834.6380 -4.7191 -1.2119 192 7 5.5890 472.7220 442.4863 4.7727 -0.7905 193 7 5.4585 302.4981 317.1520 1.7268 -0.4209 194 7 4.0214 402.0059 832.3480 -4.7566 -1.2102 195 7 2.3784 -65.5032 517.6471 2.0609 -0.5148 196 7 1.4150 401.8530 417.8145 1.1321 -0.1167 197 7 2.9599 376.2275 1660.1244 -0.5422 -2.8444 198 7 4.6663 440.2950 274.1593 1.3673 -0.2686 199 7 4.6673 441.7446 276.5651 1.3828 -0.2768 200 7 2.9592 354.7641 1610.8259 -0.5697 -2.7553 201 7 1.4118 402.6365 425.3506 1.1462 -0.1276 202 7 2.3784 -68.2816 517.5869 2.0434 -0.5106 203 7 4.0215 399.6529 811.7977 -5.7475 -1.1740 204 7 5.4585 304.0992 318.9439 1.7587 -0.4314 205 7 5.5884 476.5978 463.0029 5.6834 -0.8240 206 7 4.0221 400.4835 810.2206 -5.6022 -1.1785 207 7 2.9592 349.5067 1600.2838 -0.5785 -2.7288 208 7 4.0214 402.8246 834.2341 -4.7581 -1.2102 209 7 5.5890 480.8174 446.4058 4.6670 -0.7857 210 7 6.8740 295.7043 91.0998 1.0968 -0.0882 211 7 6.7121 278.8136 173.6316 1.3074 -0.2351 212 7 5.5884 473.9334 457.7474 5.5183 -0.8188 213 7 4.6673 440.8597 270.1642 1.3520 -0.2604 214 7 5.4585 302.1782 318.1671 1.7262 -0.4207 215 7 6.8732 293.6409 90.3569 1.0949 -0.0867 216 7 7.7957 231.7012 12.9442 1.0006 -0.0006 1 8 8.2862 180.0196 0.0000 0.9790 0.0214 2 8 7.7982 232.2326 12.9521 1.0004 -0.0004 3 8 6.7126 353.8380 101.2781 1.1278 -0.1133 4 8 6.1174 301.8205 24.5536 0.8662 0.1544 5 8 6.7126 350.7470 102.8000 1.1403 -0.1231 6 8 7.7982 232.1060 12.9476 1.0008 -0.0008 7 8 7.7982 232.9092 14.0242 1.0034 -0.0034 8 8 6.7129 277.0968 176.5710 1.3117 -0.2376 9 8 5.5908 478.0400 449.7114 4.8965 -0.7958 10 8 4.6703 448.9100 279.4397 1.4054 -0.2885 11 8 5.4617 306.3453 327.1936 1.7841 -0.4395 12 8 6.8817 293.1645 85.4886 1.0839 -0.0774 13 8 6.7126 350.5083 105.6773 1.1453 -0.1269 14 8 5.5908 479.8568 460.1253 5.8433 -0.8289 15 8 3.4267 241.9534 182.1873 0.9802 0.0202 16 8 2.3802 -68.1422 524.8132 2.1178 -0.5278 17 8 3.4954 564.8789 459.3827 1.6613 -0.3981 18 8 5.4617 306.2358 315.2016 1.7250 -0.4203 19 8 6.1174 302.3733 24.4630 0.8670 0.1534 20 8 4.6703 447.9432 286.7256 1.4462 -0.3085 21 8 2.3802 -64.8094 520.4966 2.0894 -0.5214 22 8 1.7131 321.7557 10.7402 0.7767 0.2875 23 8 2.3802 -67.1121 529.7887 2.1856 -0.5425 24 8 4.6703 450.7891 268.9988 1.3553 -0.2622 25 8 6.7126 354.9771 105.0442 1.1372 -0.1206 26 8 5.4617 307.5316 330.0227 1.8264 -0.4525 27 8 3.4954 589.5809 494.6067 1.9330 -0.4827 28 8 2.3802 -66.5303 526.8838 2.1934 -0.5441 29 8 3.4267 242.1946 192.7975 1.0049 -0.0049 30 8 5.5908 481.5095 447.2185 4.6629 -0.7855 31 8 7.7982 231.6773 12.5773 0.9996 0.0004 32 8 6.8817 296.4451 86.5016 1.0904 -0.0829 33 8 5.4617 309.3489 321.4192 1.7878 -0.4407 34 8 4.6703 446.2745 276.0367 1.3821 -0.2765 35 8 5.5908 483.5295 448.8120 4.9257 -0.7970 36 8 6.7129 280.1758 163.9103 1.2812 -0.2195 37 8 7.7982 231.7955 13.6391 1.0026 -0.0026 38 8 6.7129 279.3445 169.1317 1.2960 -0.2284 39 8 5.5908 479.0661 460.9365 5.5383 -0.8194 40 8 4.6703 448.5644 280.7667 1.4105 -0.2911 41 8 5.4617 306.5136 323.8858 1.7840 -0.4395 42 8 6.8817 293.5310 84.8628 1.0839 -0.0774 43 8 6.7121 281.1378 172.2460 1.3104 -0.2369 44 8 7.7982 232.1278 12.4666 0.9993 0.0007 45 8 6.8827 293.1811 82.2419 1.0824 -0.0761 46 8 5.4623 307.4859 323.8404 1.8110 -0.4478 47 8 4.6689 448.7457 284.4511 1.4361 -0.3037 48 8 5.5902 482.6059 458.7024 5.4397 -0.8162 49 8 5.5902 476.6243 450.4982 5.1275 -0.8050 50 8 6.8817 293.6756 85.5954 1.0871 -0.0801 51 8 5.5908 481.4115 453.2342 5.2296 -0.8088 52 8 4.0623 493.3882 877.8648 -2.4942 -1.4009 53 8 2.9909 465.4749 1386.9357 -1.5480 -1.6460 54 8 4.0609 486.7816 892.6310 -2.3354 -1.4282 55 8 4.6689 443.0624 275.7004 1.3973 -0.2843 56 8 5.4617 309.0568 317.7916 1.7584 -0.4313 57 8 4.0621 499.3649 892.2519 -2.4526 -1.4077 58 8 2.3802 -70.3809 527.0666 2.1668 -0.5385 59 8 1.4397 390.5229 357.5881 1.0498 -0.0475 60 8 2.9909 458.4880 1372.0623 -1.6003 -1.6249 61 8 5.4623 305.3824 329.0039 1.8326 -0.4543 62 8 4.6703 446.9271 276.2145 1.3868 -0.2789 63 8 2.9903 453.6799 1367.0878 -1.5988 -1.6255 64 8 1.4368 390.4149 361.2368 1.0606 -0.0572 65 8 2.3802 -69.8170 526.1738 2.1499 -0.5349 66 8 4.0623 495.2515 875.6889 -2.4933 -1.4011 67 8 6.8827 295.6892 89.0926 1.0967 -0.0882 68 8 5.5908 478.9888 459.8069 5.3834 -0.8142 69 8 4.0621 500.1847 861.7017 -2.6639 -1.3754 70 8 2.9903 448.8156 1356.2134 -1.6658 -1.6003 71 8 4.0621 499.2652 897.1706 -2.3825 -1.4197 72 8 5.5908 485.4430 450.9818 4.8711 -0.7947 73 8 6.7126 349.7662 102.6754 1.1377 -0.1211 74 8 5.5908 481.4206 466.2356 5.9075 -0.8307 75 8 3.4267 245.3944 184.4011 0.9817 0.0187 76 8 2.3802 -61.5551 527.2942 2.2239 -0.5503 77 8 3.4954 569.9295 463.4777 1.7107 -0.4155 78 8 5.4617 304.1642 320.7133 1.7735 -0.4361 79 8 5.5902 473.2267 453.5211 5.2622 -0.8100 80 8 6.8817 293.5337 86.5876 1.0908 -0.0833 81 8 5.5908 482.4022 470.6027 6.3352 -0.8422 82 8 4.0623 496.0135 870.1379 -2.4981 -1.4003 83 8 2.9909 446.5322 1352.8603 -1.6467 -1.6073 84 8 4.0609 483.4301 882.4576 -2.4070 -1.4154 85 8 3.4267 237.8171 185.4148 0.9810 0.0193 86 8 5.5902 472.0604 452.5109 5.3641 -0.8136 87 8 6.7126 350.8152 103.0123 1.1375 -0.1208 88 8 5.4623 310.3805 321.5099 1.7846 -0.4396 89 8 3.4954 583.0161 462.2963 1.6893 -0.4080 90 8 2.3795 -72.1385 522.7762 2.1061 -0.5252 91 8 2.3795 -70.0392 525.7496 2.1741 -0.5400 92 8 4.0609 489.8435 878.3077 -2.4828 -1.4028 93 8 5.4617 304.6333 321.2276 1.7682 -0.4345 94 8 4.6703 450.0003 273.1719 1.3627 -0.2662 95 8 2.9909 449.2663 1367.9009 -1.6189 -1.6177 96 8 1.4395 397.3406 355.6665 1.0535 -0.0507 97 8 3.4954 584.3258 462.6622 1.6899 -0.4083 98 8 2.9909 448.5978 1347.9635 -1.6695 -1.5990 99 8 3.4954 570.8406 459.7936 1.6704 -0.4014 100 8 2.9903 462.9059 1388.3487 -1.5402 -1.6493 101 8 3.4954 582.8544 479.0341 1.7934 -0.4424 102 8 2.9909 443.7158 1353.1410 -1.6748 -1.5971 103 8 5.4623 308.2686 328.5112 1.8214 -0.4510 104 8 4.0623 494.7237 872.0104 -2.4681 -1.4052 105 8 2.3802 -62.1828 531.4051 2.2429 -0.5541 106 8 1.4368 395.2556 359.0937 1.0535 -0.0508 107 8 2.9903 457.1689 1378.3864 -1.5762 -1.6344 108 8 4.6703 451.2998 270.7024 1.3561 -0.2626 109 8 6.1174 299.8213 24.8040 0.8662 0.1545 110 8 4.6703 441.9346 277.5951 1.4013 -0.2864 111 8 2.3802 -61.2031 528.3127 2.2005 -0.5456 112 8 1.7131 321.2526 10.6628 0.7756 0.2893 113 8 2.3802 -67.8247 531.1349 2.1514 -0.5352 114 8 4.6703 449.5350 272.4468 1.3823 -0.2765 115 8 4.6689 446.5416 286.5895 1.4563 -0.3133 116 8 5.4617 308.8359 319.3500 1.7564 -0.4306 117 8 4.0621 498.3775 880.2082 -2.4951 -1.4008 118 8 2.3802 -59.7160 529.1550 2.2507 -0.5557 119 8 1.4397 391.0376 357.8485 1.0538 -0.0511 120 8 2.9909 476.4863 1398.8538 -1.5102 -1.6622 121 8 2.3795 -68.6763 531.0206 2.1612 -0.5373 122 8 4.0609 490.1713 879.2612 -2.4843 -1.4025 123 8 5.4617 306.2747 317.6647 1.7516 -0.4291 124 8 4.6703 441.9519 281.9225 1.4253 -0.2984 125 8 2.9909 446.5986 1344.4963 -1.6822 -1.5945 126 8 1.4395 393.5666 353.7185 1.0346 -0.0334 127 8 1.7143 320.4842 10.4561 0.7757 0.2892 128 8 2.3795 -67.3325 528.6397 2.1784 -0.5409 129 8 4.6689 446.8910 279.5566 1.4118 -0.2917 130 8 6.1174 300.0017 24.5826 0.8661 0.1546 131 8 4.6689 442.2780 277.8130 1.3858 -0.2784 132 8 2.3795 -65.9699 524.4849 2.1907 -0.5435 133 8 2.3795 -66.0083 529.4131 2.2955 -0.5644 134 8 1.4395 390.7232 358.1707 1.0584 -0.0552 135 8 2.9909 473.0853 1392.8211 -1.5306 -1.6533 136 8 4.6703 450.2798 281.9623 1.4362 -0.3037 137 8 5.4617 311.3115 316.4769 1.7371 -0.4243 138 8 4.0609 501.1973 882.1551 -2.4822 -1.4029 139 8 4.6689 441.3811 286.8167 1.4303 -0.3009 140 8 2.9909 446.5250 1344.6685 -1.6761 -1.5966 141 8 1.4397 393.5123 355.3709 1.0380 -0.0366 142 8 2.3802 -67.9642 533.3884 2.1564 -0.5363 143 8 4.0621 488.6163 874.4160 -2.5555 -1.3913 144 8 5.4617 308.1451 316.7811 1.7399 -0.4252 145 8 6.7126 354.3219 105.0024 1.1410 -0.1236 146 8 5.4617 305.2194 322.9865 1.7847 -0.4397 147 8 3.4954 577.4493 446.9833 1.5840 -0.3687 148 8 2.3802 -72.4393 530.8810 2.1672 -0.5386 149 8 3.4267 234.3129 184.3892 0.9730 0.0277 150 8 5.5908 475.3942 446.7555 4.9311 -0.7972 151 8 5.4623 304.7080 323.5972 1.7926 -0.4422 152 8 4.6703 447.5671 280.5151 1.4144 -0.2930 153 8 2.9903 444.9652 1355.3373 -1.6291 -1.6138 154 8 1.4368 389.3403 356.1279 1.0544 -0.0516 155 8 2.3802 -71.8923 530.3992 2.1788 -0.5410 156 8 4.0623 494.3965 887.0407 -2.4575 -1.4069 157 8 3.4954 563.6971 443.9053 1.5572 -0.3578 158 8 2.9909 475.4623 1392.5395 -1.5344 -1.6517 159 8 3.4954 570.3392 475.9234 1.8033 -0.4455 160 8 2.9903 441.4061 1343.8561 -1.6979 -1.5889 161 8 3.4954 578.7720 448.5071 1.5948 -0.3730 162 8 2.9909 477.6078 1394.0288 -1.5361 -1.6510 163 8 2.3795 -60.8319 530.8445 2.1862 -0.5426 164 8 1.4395 389.8412 355.9493 1.0471 -0.0450 165 8 2.9909 470.4255 1386.7454 -1.5595 -1.6412 166 8 4.6703 446.2371 277.8843 1.3975 -0.2844 167 8 5.4617 305.2514 324.4813 1.7961 -0.4433 168 8 4.0609 495.1962 876.7128 -2.4608 -1.4064 169 8 3.4267 241.5812 184.3558 0.9771 0.0234 170 8 2.3795 -60.3832 534.0633 2.2553 -0.5566 171 8 3.4954 564.8542 451.7424 1.6280 -0.3857 172 8 5.4623 304.0601 322.4690 1.7880 -0.4407 173 8 6.7126 354.2501 102.1566 1.1334 -0.1177 174 8 5.5902 480.8521 461.3165 5.6307 -0.8224 175 8 5.5902 482.0044 471.8574 6.4795 -0.8457 176 8 4.0609 499.1466 874.8339 -2.5047 -1.3992 177 8 2.9909 469.7524 1383.6807 -1.5668 -1.6382 178 8 4.0623 489.7305 889.2283 -2.3927 -1.4179 179 8 5.5908 477.5094 451.6889 5.0334 -0.8013 180 8 6.8817 293.8351 80.3680 1.0747 -0.0695 181 8 7.7982 232.2939 12.5832 0.9996 0.0004 182 8 6.8817 292.3293 81.2610 1.0806 -0.0746 183 8 5.4617 308.2402 315.9341 1.7674 -0.4342 184 8 4.6703 445.4872 281.6213 1.4237 -0.2976 185 8 5.5908 479.0451 459.0694 5.5750 -0.8206 186 8 6.7129 282.3503 172.1530 1.3110 -0.2372 187 8 6.8827 295.8526 89.2073 1.0920 -0.0843 188 8 5.5908 479.5837 460.3179 5.6789 -0.8239 189 8 4.0621 496.2427 873.5019 -2.5649 -1.3899 190 8 2.9903 472.1866 1399.3730 -1.5090 -1.6627 191 8 4.0621 494.1210 893.2651 -2.4575 -1.4069 192 8 5.5908 474.4223 447.4529 5.0192 -0.8008 193 8 5.4623 304.6742 320.2319 1.7655 -0.4336 194 8 4.0623 501.5462 894.0751 -2.4097 -1.4150 195 8 2.3802 -62.6650 520.6210 2.0968 -0.5231 196 8 1.4368 392.3890 356.6748 1.0441 -0.0422 197 8 2.9903 467.3415 1389.7994 -1.5414 -1.6487 198 8 4.6703 442.8578 276.5054 1.4001 -0.2858 199 8 4.6689 443.4571 277.7073 1.4024 -0.2869 200 8 2.9909 444.4501 1350.5370 -1.6633 -1.6012 201 8 1.4397 393.1879 358.4194 1.0498 -0.0475 202 8 2.3802 -65.2235 521.3273 2.0915 -0.5219 203 8 4.0621 497.3626 878.0951 -2.4768 -1.4037 204 8 5.4617 305.8349 321.5556 1.7900 -0.4413 205 8 5.5902 478.8150 467.5327 5.9597 -0.8322 206 8 4.0609 496.2451 876.9093 -2.4388 -1.4100 207 8 2.9909 439.0781 1342.9246 -1.7082 -1.5854 208 8 4.0623 503.8148 896.4113 -2.3915 -1.4181 209 8 5.5908 482.9219 451.2357 4.8751 -0.7949 210 8 6.8817 294.9457 86.0682 1.0873 -0.0803 211 8 6.7121 278.8136 173.6316 1.3074 -0.2351 212 8 5.5902 476.0668 463.0507 5.8461 -0.8289 213 8 4.6689 442.6030 270.6659 1.3675 -0.2687 214 8 5.4623 304.2769 321.2345 1.7642 -0.4332 215 8 6.8827 292.8593 84.2362 1.0830 -0.0766 216 8 7.7982 232.2436 12.8422 1.0003 -0.0003 =================================================================== Eliashberg Spectral Function in the Migdal Approximation =================================================================== lambda : 0.9472704 lambda_tr : 1.2113125 Estimated Allen-Dynes Tc logavg = 0.0001685 l_a2F = 0.9483456 mu = 0.10 Tc = 1.702688981493 K mu = 0.12 Tc = 1.529055047315 K mu = 0.14 Tc = 1.360266961783 K mu = 0.16 Tc = 1.197229926975 K mu = 0.18 Tc = 1.040914288027 K mu = 0.20 Tc = 0.892346148881 K a2F : 0.10s CPU 0.10s WALL ( 1 calls) Unfolding on the coarse grid elphon_wrap : 350.10s CPU 353.99s WALL ( 1 calls) INITIALIZATION: init_vloc : 0.13s CPU 0.13s WALL ( 29 calls) init_us_1 : 3.80s CPU 3.79s WALL ( 29 calls) Electron-Phonon interpolation ephwann : 12.09s CPU 12.32s WALL ( 1 calls) ep-interp : 11.55s CPU 11.66s WALL ( 216 calls) PH SELF-ENER : 0.77s CPU 0.77s 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 : 0.02s CPU 0.02s WALL ( 81 calls) ep: step 2 : 0.04s CPU 0.10s WALL ( 81 calls) DynW2B : 0.01s CPU 0.00s WALL ( 216 calls) HamW2B : 4.81s CPU 4.80s WALL ( 93744 calls) ephW2Bp : 0.17s CPU 0.17s WALL ( 216 calls) Total program execution EPW : 6m38.57s CPU 6m43.00s WALL Please consider citing: S. Ponce, E. R. Margine, C. Verdi and F. Giustino, Comput. Phys. Commun. 209, 116 (2016)