\ / | ``:oss/ \ / | `.+s+. .+ys--yh+ `./ss+. \ / | | -sh//yy+` +yy +yy -+h+-oyy \/ |---- -yh- .oyy/.-sh. .syo-.:sy- /yh | `.-.` `yh+ -oyyyo. `/syys: oys `.` `/+ssys+-` `sh+ ` oys` .:osyo` -yh- ./syyooyo` .sys+/oyo--yh/ `yy+ .-:-. `-/+/:` -sh- /yh. oys ``..---hho---------` .---------..` `.-----.` -hd+---. `./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:` +sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy` -yy/ /MMM+.`-+/``mMMy- `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs -yy+` /MMMo:-mMM+`-oo/. mMMh: `dMMN/` dMMm:`dMMMMy..MMMo-.+yo` .sys`/MMMMNNMMMs- mMMmyooooymMMNo: oMMM/sMMMMMM++MMN//oh: `sh+/MMMhyyMMMs- `-` mMMMMMMMMMNmy+-` -MMMhMMMsmMMmdMMd/yy+ `-/+++oyy-/MMM+.`/hh/.`mNm:` mMMd+/////:-.` NMMMMMd/:NMMMMMy:/yyo/:.` +os+//:-..-oMMMo:--:::-/MMMo. .-mMMd+---` hMMMMN+. oMMMMMo. `-+osyso:` syo `mNMMMMMNNNNNNNNMMMo.oNNMMMMMNNNN:` +MMMMs:` dMMMN/` ``:syo /yh` :syyyyyyyyyyyyyyyy+.`+syyyyyyyyo:` .oyys:` .oyys:` +yh -yh- ```````````````` ````````` `` `` oys -+h/------------------------::::::::://////++++++++++++++++++++++///////::::/yd: shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh` Program EPW v.4.0.0 (svn rev. 12139) starts on 1Mar2016 at 14: 4:41 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 4 processors K-points division: npool = 4 Reading data from directory: ./pb.save Info: using nr1, nr2, nr3 values from input Info: using nr1, nr2, nr3 values from input IMPORTANT: XC functional enforced from input : Exchange-correlation = PZ ( 1 1 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 703 703 211 12387 12387 2109 -- bravais-lattice index = 2 lattice parameter (a_0) = 9.2700 a.u. unit-cell volume = 199.1495 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 kinetic-energy cut-off = 60.0000 Ry charge density cut-off = 240.0000 Ry convergence threshold = 0.0E+00 beta = 0.0000 number of iterations used = 0 Exchange-correlation = PZ ( 1 1 0 0 0 0) celldm(1)= 9.27000 celldm(2)= 0.00000 celldm(3)= 0.00000 celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000 crystal axes: (cart. coord. in units of a_0) a(1) = ( -0.5000 0.0000 0.5000 ) a(2) = ( 0.0000 0.5000 0.5000 ) a(3) = ( -0.5000 0.5000 0.0000 ) reciprocal axes: (cart. coord. in units 2 pi/a_0) b(1) = ( -1.0000 -1.0000 1.0000 ) b(2) = ( 1.0000 1.0000 1.0000 ) b(3) = ( -1.0000 1.0000 -1.0000 ) Atoms inside the unit cell: Cartesian axes site n. atom mass positions (a_0 units) 1 Pb 207.2175 tau( 1) = ( 0.00000 0.00000 0.00000 ) 49 Sym.Ops. (with q -> -q+G ) G cutoff = 522.4094 ( 12387 G-vectors) FFT grid: ( 36, 36, 36) number of k points= 27 gaussian broad. (Ry)= 0.0200 ngauss = 1 cart. coord. in units 2pi/a_0 k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0740741 k( 2) = ( -0.3333333 0.3333333 -0.3333333), wk = 0.0740741 k( 3) = ( -0.6666667 0.6666667 -0.6666667), wk = 0.0740741 k( 4) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0740741 k( 5) = ( 0.0000000 0.6666667 0.0000000), wk = 0.0740741 k( 6) = ( -0.3333333 1.0000000 -0.3333333), wk = 0.0740741 k( 7) = ( 0.6666667 0.6666667 0.6666667), wk = 0.0740741 k( 8) = ( 0.3333333 1.0000000 0.3333333), wk = 0.0740741 k( 9) = ( 0.0000000 1.3333333 0.0000000), wk = 0.0740741 k( 10) = ( -0.3333333 -0.3333333 0.3333333), wk = 0.0740741 k( 11) = ( -0.6666667 0.0000000 0.0000000), wk = 0.0740741 k( 12) = ( -1.0000000 0.3333333 -0.3333333), wk = 0.0740741 k( 13) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0740741 k( 14) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0740741 k( 15) = ( -0.6666667 0.6666667 -0.0000000), wk = 0.0740741 k( 16) = ( 0.3333333 0.3333333 1.0000000), wk = 0.0740741 k( 17) = ( 0.0000000 0.6666667 0.6666667), wk = 0.0740741 k( 18) = ( -0.3333333 1.0000000 0.3333333), wk = 0.0740741 k( 19) = ( -0.6666667 -0.6666667 0.6666667), wk = 0.0740741 k( 20) = ( -1.0000000 -0.3333333 0.3333333), wk = 0.0740741 k( 21) = ( -1.3333333 0.0000000 0.0000000), wk = 0.0740741 k( 22) = ( -0.3333333 -0.3333333 1.0000000), wk = 0.0740741 k( 23) = ( -0.6666667 -0.0000000 0.6666667), wk = 0.0740741 k( 24) = ( -1.0000000 0.3333333 0.3333333), wk = 0.0740741 k( 25) = ( 0.0000000 0.0000000 1.3333333), wk = 0.0740741 k( 26) = ( -0.3333333 0.3333333 1.0000000), wk = 0.0740741 k( 27) = ( -0.6666667 0.6666667 0.6666667), wk = 0.0740741 PseudoPot. # 1 for Pb read from file: ../../pp/pb_s.UPF MD5 check sum: 7774f596943a2055f0d8d19eea6f2ae8 Pseudo is Norm-conserving, Zval = 14.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1281 points, 2 beta functions with: l(1) = 2 l(2) = 1 EPW : 0.24s CPU 0.25s WALL EPW : 0.48s CPU 0.51s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- Wannierization on 3 x 3 x 3 electronic grid ------------------------------------------------------------------- Spin CASE ( default = unpolarized ) Initializing Wannier90 Initial Wannier projections ( 0.00000 0.00000 0.00000) : l = -3 mr = 1 ( 0.00000 0.00000 0.00000) : l = -3 mr = 2 ( 0.00000 0.00000 0.00000) : l = -3 mr = 3 ( 0.00000 0.00000 0.00000) : l = -3 mr = 4 - Number of bands is ( 11) - Number of wannier functions is ( 4) - All guiding functions are given - All neighbours are found AMN k points = 27 in 4 pools 1 of 7 on ionode 2 of 7 on ionode 3 of 7 on ionode 4 of 7 on ionode 5 of 7 on ionode 6 of 7 on ionode 7 of 7 on ionode AMN calculated MMN k points = 27 in 4 pools 1 of 7 on ionode 2 of 7 on ionode 3 of 7 on ionode 4 of 7 on ionode 5 of 7 on ionode 6 of 7 on ionode 7 of 7 on ionode MMN calculated Running Wannier90 Wannier Function centers (cartesian, alat) and spreads (ang): ( 0.08268 0.08268 0.08268) : 1.58499 ( 0.08268 -0.08268 -0.08268) : 1.58499 ( -0.08268 0.08268 -0.08268) : 1.58499 ( -0.08268 -0.08268 0.08268) : 1.58499 ------------------------------------------------------------------- WANNIER : 3.00s CPU 3.01s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## kmaps : 3.00s CPU 3.02s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 48 =================================================================== irreducible q point # 1 =================================================================== Symmetries of small group of q: 48 in addition sym. q -> -q+G: Number of q in the star = 1 List of q in the star: 1 0.000000000 0.000000000 0.000000000 Imposing acoustic sum rule on the dynamical matrix q( 1 ) = ( 0.0000000 0.0000000 0.0000000 ) =================================================================== irreducible q point # 2 =================================================================== Symmetries of small group of q: 6 Number of q in the star = 8 List of q in the star: 1 -0.333333333 0.333333333 -0.333333333 2 0.333333333 0.333333333 -0.333333333 3 0.333333333 0.333333333 0.333333333 4 -0.333333333 0.333333333 0.333333333 5 0.333333333 -0.333333333 0.333333333 6 -0.333333333 -0.333333333 -0.333333333 7 0.333333333 -0.333333333 -0.333333333 8 -0.333333333 -0.333333333 0.333333333 q( 2 ) = ( -0.3333333 0.3333333 -0.3333333 ) q( 3 ) = ( 0.3333333 0.3333333 -0.3333333 ) q( 4 ) = ( 0.3333333 0.3333333 0.3333333 ) q( 5 ) = ( -0.3333333 0.3333333 0.3333333 ) q( 6 ) = ( 0.3333333 -0.3333333 0.3333333 ) q( 7 ) = ( -0.3333333 -0.3333333 -0.3333333 ) q( 8 ) = ( 0.3333333 -0.3333333 -0.3333333 ) q( 9 ) = ( -0.3333333 -0.3333333 0.3333333 ) =================================================================== irreducible q point # 3 =================================================================== Symmetries of small group of q: 8 Number of q in the star = 6 List of q in the star: 1 0.000000000 0.666666667 0.000000000 2 -0.666666667 0.000000000 0.000000000 3 0.000000000 -0.666666667 0.000000000 4 0.000000000 0.000000000 0.666666667 5 0.000000000 0.000000000 -0.666666667 6 0.666666667 0.000000000 0.000000000 q( 10 ) = ( 0.0000000 0.6666667 0.0000000 ) q( 11 ) = ( -0.6666667 0.0000000 0.0000000 ) q( 12 ) = ( 0.0000000 -0.6666667 0.0000000 ) q( 13 ) = ( 0.0000000 0.0000000 0.6666667 ) q( 14 ) = ( 0.0000000 0.0000000 -0.6666667 ) q( 15 ) = ( 0.6666667 0.0000000 0.0000000 ) =================================================================== irreducible q point # 4 =================================================================== Symmetries of small group of q: 4 Number of q in the star = 12 List of q in the star: 1 0.666666667 0.000000000 0.666666667 2 0.666666667 0.000000000 -0.666666667 3 -0.666666667 0.000000000 -0.666666667 4 -0.666666667 0.000000000 0.666666667 5 0.000000000 -0.666666667 0.666666667 6 -0.666666667 0.666666667 0.000000000 7 -0.666666667 -0.666666667 0.000000000 8 0.666666667 0.666666667 0.000000000 9 0.666666667 -0.666666667 0.000000000 10 0.000000000 0.666666667 0.666666667 11 0.000000000 0.666666667 -0.666666667 12 0.000000000 -0.666666667 -0.666666667 q( 16 ) = ( 0.6666667 0.0000000 0.6666667 ) q( 17 ) = ( 0.6666667 0.0000000 -0.6666667 ) q( 18 ) = ( -0.6666667 0.0000000 -0.6666667 ) q( 19 ) = ( -0.6666667 0.0000000 0.6666667 ) q( 20 ) = ( 0.0000000 -0.6666667 0.6666667 ) q( 21 ) = ( -0.6666667 0.6666667 0.0000000 ) q( 22 ) = ( -0.6666667 -0.6666667 0.0000000 ) q( 23 ) = ( 0.6666667 0.6666667 0.0000000 ) q( 24 ) = ( 0.6666667 -0.6666667 0.0000000 ) q( 25 ) = ( 0.0000000 0.6666667 0.6666667 ) q( 26 ) = ( 0.0000000 0.6666667 -0.6666667 ) q( 27 ) = ( 0.0000000 -0.6666667 -0.6666667 ) Writing epmatq on .epb files band disentanglement is used: nbndsub = 4 Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file Finished reading Wann rep data from file Using uniform q-mesh: 6 6 6 Size of q point mesh for interpolation: 216 Using uniform k-mesh: 6 6 6 Size of k point mesh for interpolation: 432 Max number of k points per pool: 108 Fermi energy coarse grid = 9.797928 eV Skipping the first 5 bands: The Fermi level will be determined with 4.00000 electrons Fermi energy is calculated from the fine k-mesh: Ef = 11.759000 eV Warning: check if difference with Fermi level fine grid makes sense =================================================================== ibndmin = 2 ebndmin = 0.501 ibndmax = 4 ebndmax = 1.265 Number of ep-matrix elements per pool : 1458 ~= 11.39 Kb (@ 8 bytes/ DP) =================================================================== Phonon (Imaginary) Self-Energy in the Migdal Approximation =================================================================== Fermi Surface thickness = 6.000000 eV Golden Rule strictly enforced with T = 0.172347 eV Gaussian Broadening: 1.000000 eV, ngauss= 1 DOS = 0.295677 states/spin/eV/Unit Cell at Ef= 11.759000 eV ismear = 1 iq = 1 coord.: 0.00000 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 0.0000 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 0.0000 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 0.0000 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 215 out of 216 =================================================================== Electron (Imaginary) Self-Energy in the Migdal Approximation =================================================================== Fermi Surface thickness = 6.000000 eV Golden Rule strictly enforced with T = 0.172347 eV Gaussian Broadening: 1.000000 eV, ngauss= 1 DOS = 0.295677 states/spin/eV/Unit Cell at Ef= 11.759000 eV ismear = 1 iq = 2 coord.: 0.00000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.4591 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 3 coord.: 0.00000 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.3764 meV lambda( 2 )= 0.210937 gamma= 0.001658 meV omega= 2.9086 meV lambda( 3 )= 0.210937 gamma= 0.001658 meV omega= 2.9086 meV lambda( tot )= 0.421874 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 4 coord.: 0.00000 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 56.757604 gamma= 0.059637 meV omega= 1.0636 meV lambda( 2 )= -0.336896 gamma= -0.007098 meV omega= 4.7625 meV lambda( 3 )= -0.336896 gamma= -0.007098 meV omega= 4.7625 meV lambda( tot )= 56.083812 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 5 coord.: 0.00000 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.3764 meV lambda( 2 )= 0.210937 gamma= 0.001658 meV omega= 2.9086 meV lambda( 3 )= 0.210939 gamma= 0.001658 meV omega= 2.9086 meV lambda( tot )= 0.421876 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 6 coord.: 0.00000 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.4591 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 7 coord.: 0.00000 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.4591 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 8 coord.: 0.00000 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7009 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.7009 meV lambda( 3 )= 1.431385 gamma= 0.027897 meV omega= 4.5806 meV lambda( tot )= 1.431385 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 9 coord.: 0.00000 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074404 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074404 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 10 coord.: 0.00000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848189 gamma= -0.006868 meV omega= 2.9525 meV lambda( 2 )= 0.073347 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411973 gamma= -0.015257 meV omega= 6.3141 meV lambda( tot )= -1.186815 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 11 coord.: 0.00000 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307902 gamma= -0.088538 meV omega= 1.9034 meV lambda( 2 )= 0.986747 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016713 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.304442 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 12 coord.: 0.00000 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8509 meV lambda( 2 )= -8.860254 gamma= -0.004791 meV omega= 0.7629 meV lambda( 3 )= 0.047010 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.813244 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 13 coord.: 0.00000 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.3764 meV lambda( 2 )= 0.210937 gamma= 0.001658 meV omega= 2.9086 meV lambda( 3 )= 0.210937 gamma= 0.001658 meV omega= 2.9086 meV lambda( tot )= 0.421874 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 14 coord.: 0.00000 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074399 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074399 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 15 coord.: 0.00000 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -5.3620 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -5.3620 meV lambda( 3 )= 0.097143 gamma= 0.006194 meV omega= 8.2853 meV lambda( tot )= 0.097143 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 16 coord.: 0.00000 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026951 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026951 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 17 coord.: 0.00000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.219236 gamma= 0.004263 meV omega= 4.5752 meV lambda( 2 )= 0.058560 gamma= 0.001625 meV omega= 5.4661 meV lambda( 3 )= 0.130985 gamma= 0.006111 meV omega= 7.0868 meV lambda( tot )= 0.408781 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 18 coord.: 0.00000 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307138 gamma= -0.088536 meV omega= 1.9034 meV lambda( 2 )= 0.986766 gamma= 0.018931 meV omega= 4.5446 meV lambda( 3 )= 1.016728 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.303644 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 19 coord.: 0.00000 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 56.757573 gamma= 0.059637 meV omega= 1.0636 meV lambda( 2 )= -0.336896 gamma= -0.007098 meV omega= 4.7625 meV lambda( 3 )= -0.336897 gamma= -0.007098 meV omega= 4.7625 meV lambda( tot )= 56.083779 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 20 coord.: 0.00000 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848187 gamma= -0.006868 meV omega= 2.9525 meV lambda( 2 )= 0.073338 gamma= 0.000902 meV omega= 3.6398 meV lambda( 3 )= -0.411971 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186819 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 21 coord.: 0.00000 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026952 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026952 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 22 coord.: 0.00000 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.6477 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.6477 meV lambda( 3 )= 0.440181 gamma= 0.038978 meV omega= 9.7636 meV lambda( tot )= 0.440181 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 23 coord.: 0.00000 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026955 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026955 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 24 coord.: 0.00000 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848023 gamma= -0.006867 meV omega= 2.9525 meV lambda( 2 )= 0.073354 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411966 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186635 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 25 coord.: 0.00000 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.3764 meV lambda( 2 )= 0.210938 gamma= 0.001658 meV omega= 2.9086 meV lambda( 3 )= 0.210938 gamma= 0.001658 meV omega= 2.9086 meV lambda( tot )= 0.421876 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 26 coord.: 0.00000 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307909 gamma= -0.088538 meV omega= 1.9034 meV lambda( 2 )= 0.986748 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016713 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.304448 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 27 coord.: 0.00000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.219237 gamma= 0.004263 meV omega= 4.5752 meV lambda( 2 )= 0.058560 gamma= 0.001625 meV omega= 5.4661 meV lambda( 3 )= 0.130985 gamma= 0.006111 meV omega= 7.0868 meV lambda( tot )= 0.408782 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 28 coord.: 0.00000 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026955 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026955 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 29 coord.: 0.00000 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -5.3620 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -5.3620 meV lambda( 3 )= 0.097142 gamma= 0.006194 meV omega= 8.2853 meV lambda( tot )= 0.097142 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 30 coord.: 0.00000 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074383 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074383 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 31 coord.: 0.00000 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.4591 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 32 coord.: 0.00000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8509 meV lambda( 2 )= -8.860345 gamma= -0.004791 meV omega= 0.7629 meV lambda( 3 )= 0.047002 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.813342 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 33 coord.: 0.00000 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307108 gamma= -0.088536 meV omega= 1.9034 meV lambda( 2 )= 0.986765 gamma= 0.018931 meV omega= 4.5446 meV lambda( 3 )= 1.016728 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.303615 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 34 coord.: 0.00000 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848025 gamma= -0.006867 meV omega= 2.9525 meV lambda( 2 )= 0.073372 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411966 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186619 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 35 coord.: 0.00000 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074384 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074384 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 36 coord.: 0.00000 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7009 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.7009 meV lambda( 3 )= 1.431380 gamma= 0.027897 meV omega= 4.5806 meV lambda( tot )= 1.431380 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 37 coord.: 0.16667 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.4591 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 38 coord.: 0.16667 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7009 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.7009 meV lambda( 3 )= 1.431382 gamma= 0.027897 meV omega= 4.5806 meV lambda( tot )= 1.431382 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 39 coord.: 0.16667 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074405 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074405 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 40 coord.: 0.16667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848197 gamma= -0.006868 meV omega= 2.9525 meV lambda( 2 )= 0.073360 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411973 gamma= -0.015257 meV omega= 6.3141 meV lambda( tot )= -1.186811 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 41 coord.: 0.16667 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307899 gamma= -0.088538 meV omega= 1.9034 meV lambda( 2 )= 0.986748 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016714 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.304438 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 42 coord.: 0.16667 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8509 meV lambda( 2 )= -8.860260 gamma= -0.004791 meV omega= 0.7629 meV lambda( 3 )= 0.047022 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.813238 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 43 coord.: 0.16667 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7009 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.7009 meV lambda( 3 )= 1.431384 gamma= 0.027897 meV omega= 4.5806 meV lambda( tot )= 1.431384 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 44 coord.: 0.16667 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.4591 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 45 coord.: 0.16667 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8509 meV lambda( 2 )= -8.860194 gamma= -0.004791 meV omega= 0.7629 meV lambda( 3 )= 0.047005 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.813189 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 46 coord.: 0.16667 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307376 gamma= -0.088536 meV omega= 1.9034 meV lambda( 2 )= 0.986755 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016691 gamma= 0.022173 meV omega= 4.8454 meV lambda( tot )= -24.303930 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 47 coord.: 0.16667 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848082 gamma= -0.006867 meV omega= 2.9525 meV lambda( 2 )= 0.073356 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411986 gamma= -0.015257 meV omega= 6.3141 meV lambda( tot )= -1.186711 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 48 coord.: 0.16667 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074391 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074391 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 49 coord.: 0.16667 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074400 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074400 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 50 coord.: 0.16667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8509 meV lambda( 2 )= -8.860201 gamma= -0.004791 meV omega= 0.7629 meV lambda( 3 )= 0.047024 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.813178 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 51 coord.: 0.16667 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074385 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074385 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 52 coord.: 0.16667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.825283 gamma= 0.052403 meV omega= 0.6643 meV lambda( 3 )= -0.057437 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.767846 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 53 coord.: 0.16667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112066 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079367 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552844 gamma= -0.022465 meV omega= 6.6141 meV lambda( tot )= -2.744276 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 54 coord.: 0.16667 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.832473 gamma= 0.052405 meV omega= 0.6643 meV lambda( 3 )= -0.057438 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.775035 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 55 coord.: 0.16667 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848153 gamma= -0.006868 meV omega= 2.9525 meV lambda( 2 )= 0.073348 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411962 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186767 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 56 coord.: 0.16667 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307195 gamma= -0.088536 meV omega= 1.9034 meV lambda( 2 )= 0.986760 gamma= 0.018931 meV omega= 4.5446 meV lambda( 3 )= 1.016731 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.303704 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 57 coord.: 0.16667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.824784 gamma= 0.052402 meV omega= 0.6643 meV lambda( 3 )= -0.057431 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.767353 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 58 coord.: 0.16667 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026953 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026953 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 59 coord.: 0.16667 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 4.391177 gamma= 0.040515 meV omega= 3.1516 meV lambda( 2 )= -1.082632 gamma= -0.021290 meV omega= 4.6011 meV lambda( 3 )= -0.416125 gamma= -0.029179 meV omega= 8.6883 meV lambda( tot )= 2.892420 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 60 coord.: 0.16667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112070 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079366 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552825 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744262 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 61 coord.: 0.16667 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307838 gamma= -0.088538 meV omega= 1.9034 meV lambda( 2 )= 0.986749 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016733 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.304356 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 62 coord.: 0.16667 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848043 gamma= -0.006867 meV omega= 2.9525 meV lambda( 2 )= 0.073343 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411968 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186669 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 63 coord.: 0.16667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112075 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079365 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552834 gamma= -0.022465 meV omega= 6.6141 meV lambda( tot )= -2.744274 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 64 coord.: 0.16667 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 4.391186 gamma= 0.040515 meV omega= 3.1516 meV lambda( 2 )= -1.082636 gamma= -0.021290 meV omega= 4.6011 meV lambda( 3 )= -0.416126 gamma= -0.029179 meV omega= 8.6883 meV lambda( tot )= 2.892424 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 65 coord.: 0.16667 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026956 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026956 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 66 coord.: 0.16667 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.821423 gamma= 0.052401 meV omega= 0.6643 meV lambda( 3 )= -0.057434 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.763989 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 67 coord.: 0.16667 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8509 meV lambda( 2 )= -8.860264 gamma= -0.004791 meV omega= 0.7629 meV lambda( 3 )= 0.047044 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.813220 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 68 coord.: 0.16667 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074386 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074386 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 69 coord.: 0.16667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.832270 gamma= 0.052405 meV omega= 0.6643 meV lambda( 3 )= -0.057439 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.774831 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 70 coord.: 0.16667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112062 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079366 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552829 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 71 coord.: 0.16667 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.822165 gamma= 0.052401 meV omega= 0.6643 meV lambda( 3 )= -0.057436 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.764729 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 72 coord.: 0.16667 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074401 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074401 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 73 coord.: 0.33333 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.3764 meV lambda( 2 )= 0.210940 gamma= 0.001658 meV omega= 2.9086 meV lambda( 3 )= 0.210936 gamma= 0.001658 meV omega= 2.9086 meV lambda( tot )= 0.421876 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 74 coord.: 0.33333 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074401 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074401 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 75 coord.: 0.33333 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -5.3620 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -5.3620 meV lambda( 3 )= 0.097143 gamma= 0.006194 meV omega= 8.2853 meV lambda( tot )= 0.097143 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 76 coord.: 0.33333 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026951 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026951 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 77 coord.: 0.33333 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.219237 gamma= 0.004263 meV omega= 4.5752 meV lambda( 2 )= 0.058560 gamma= 0.001625 meV omega= 5.4661 meV lambda( 3 )= 0.130985 gamma= 0.006111 meV omega= 7.0868 meV lambda( tot )= 0.408782 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 78 coord.: 0.33333 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307085 gamma= -0.088535 meV omega= 1.9034 meV lambda( 2 )= 0.986766 gamma= 0.018931 meV omega= 4.5446 meV lambda( 3 )= 1.016732 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.303587 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 79 coord.: 0.33333 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074400 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074400 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 80 coord.: 0.33333 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8509 meV lambda( 2 )= -8.860111 gamma= -0.004791 meV omega= 0.7629 meV lambda( 3 )= 0.047031 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.813080 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 81 coord.: 0.33333 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074382 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074382 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 82 coord.: 0.33333 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.823740 gamma= 0.052402 meV omega= 0.6643 meV lambda( 3 )= -0.057437 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.766303 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 83 coord.: 0.33333 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112068 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079366 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552843 gamma= -0.022465 meV omega= 6.6141 meV lambda( tot )= -2.744278 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 84 coord.: 0.33333 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.832374 gamma= 0.052405 meV omega= 0.6643 meV lambda( 3 )= -0.057438 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.774936 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 85 coord.: 0.33333 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -5.3620 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -5.3620 meV lambda( 3 )= 0.097142 gamma= 0.006194 meV omega= 8.2853 meV lambda( tot )= 0.097142 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 86 coord.: 0.33333 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074383 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074383 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 87 coord.: 0.33333 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.3764 meV lambda( 2 )= 0.210937 gamma= 0.001658 meV omega= 2.9086 meV lambda( 3 )= 0.210938 gamma= 0.001658 meV omega= 2.9086 meV lambda( tot )= 0.421875 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 88 coord.: 0.33333 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307800 gamma= -0.088538 meV omega= 1.9034 meV lambda( 2 )= 0.986753 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016730 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.304317 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 89 coord.: 0.33333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.219239 gamma= 0.004263 meV omega= 4.5752 meV lambda( 2 )= 0.058561 gamma= 0.001625 meV omega= 5.4661 meV lambda( 3 )= 0.130979 gamma= 0.006110 meV omega= 7.0868 meV lambda( tot )= 0.408779 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 90 coord.: 0.33333 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026948 gamma= 0.001968 meV omega= 8.8679 meV lambda( tot )= 0.026948 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 91 coord.: 0.33333 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026953 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026953 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 92 coord.: 0.33333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.824348 gamma= 0.052402 meV omega= 0.6643 meV lambda( 3 )= -0.057432 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.766916 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 93 coord.: 0.33333 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.308044 gamma= -0.088539 meV omega= 1.9034 meV lambda( 2 )= 0.986759 gamma= 0.018931 meV omega= 4.5446 meV lambda( 3 )= 1.016712 gamma= 0.022173 meV omega= 4.8454 meV lambda( tot )= -24.304573 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 94 coord.: 0.33333 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848047 gamma= -0.006867 meV omega= 2.9525 meV lambda( 2 )= 0.073356 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411978 gamma= -0.015257 meV omega= 6.3141 meV lambda( tot )= -1.186669 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 95 coord.: 0.33333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112068 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079368 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552830 gamma= -0.022465 meV omega= 6.6141 meV lambda( tot )= -2.744267 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 96 coord.: 0.33333 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 4.391251 gamma= 0.040516 meV omega= 3.1516 meV lambda( 2 )= -1.082644 gamma= -0.021290 meV omega= 4.6011 meV lambda( 3 )= -0.416127 gamma= -0.029179 meV omega= 8.6883 meV lambda( tot )= 2.892480 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 97 coord.: 0.33333 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.219233 gamma= 0.004263 meV omega= 4.5752 meV lambda( 2 )= 0.058559 gamma= 0.001625 meV omega= 5.4661 meV lambda( 3 )= 0.130989 gamma= 0.006111 meV omega= 7.0868 meV lambda( tot )= 0.408781 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 98 coord.: 0.33333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112074 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079361 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552825 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744261 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 99 coord.: 0.33333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.219246 gamma= 0.004263 meV omega= 4.5752 meV lambda( 2 )= 0.058561 gamma= 0.001625 meV omega= 5.4661 meV lambda( 3 )= 0.130987 gamma= 0.006111 meV omega= 7.0868 meV lambda( tot )= 0.408794 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 100 coord.: 0.33333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112070 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079367 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552835 gamma= -0.022465 meV omega= 6.6141 meV lambda( tot )= -2.744272 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 101 coord.: 0.33333 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.219227 gamma= 0.004263 meV omega= 4.5752 meV lambda( 2 )= 0.058558 gamma= 0.001625 meV omega= 5.4661 meV lambda( 3 )= 0.130983 gamma= 0.006111 meV omega= 7.0868 meV lambda( tot )= 0.408768 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 102 coord.: 0.33333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112071 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079369 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552825 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744265 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 103 coord.: 0.33333 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307239 gamma= -0.088536 meV omega= 1.9034 meV lambda( 2 )= 0.986769 gamma= 0.018931 meV omega= 4.5446 meV lambda( 3 )= 1.016722 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.303748 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 104 coord.: 0.33333 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.826143 gamma= 0.052403 meV omega= 0.6643 meV lambda( 3 )= -0.057437 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.768706 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 105 coord.: 0.33333 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026955 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026955 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 106 coord.: 0.33333 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 4.391248 gamma= 0.040516 meV omega= 3.1516 meV lambda( 2 )= -1.082634 gamma= -0.021290 meV omega= 4.6011 meV lambda( 3 )= -0.416127 gamma= -0.029179 meV omega= 8.6883 meV lambda( tot )= 2.892487 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 107 coord.: 0.33333 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112072 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079370 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552824 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744266 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 108 coord.: 0.33333 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848134 gamma= -0.006868 meV omega= 2.9525 meV lambda( 2 )= 0.073363 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411960 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186731 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 109 coord.: 0.50000 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 56.757691 gamma= 0.059637 meV omega= 1.0636 meV lambda( 2 )= -0.336896 gamma= -0.007098 meV omega= 4.7625 meV lambda( 3 )= -0.336896 gamma= -0.007098 meV omega= 4.7625 meV lambda( tot )= 56.083900 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 110 coord.: 0.50000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848203 gamma= -0.006868 meV omega= 2.9525 meV lambda( 2 )= 0.073345 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411972 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186830 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 111 coord.: 0.50000 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026953 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026953 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 112 coord.: 0.50000 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.6477 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.6477 meV lambda( 3 )= 0.440181 gamma= 0.038978 meV omega= 9.7636 meV lambda( tot )= 0.440181 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 113 coord.: 0.50000 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026955 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026955 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 114 coord.: 0.50000 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848022 gamma= -0.006867 meV omega= 2.9525 meV lambda( 2 )= 0.073356 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411966 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186632 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 115 coord.: 0.50000 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848161 gamma= -0.006868 meV omega= 2.9525 meV lambda( 2 )= 0.073350 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411963 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186774 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 116 coord.: 0.50000 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307402 gamma= -0.088537 meV omega= 1.9034 meV lambda( 2 )= 0.986756 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016697 gamma= 0.022173 meV omega= 4.8454 meV lambda( tot )= -24.303948 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 117 coord.: 0.50000 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.822990 gamma= 0.052402 meV omega= 0.6643 meV lambda( 3 )= -0.057430 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.765560 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 118 coord.: 0.50000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026954 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026954 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 119 coord.: 0.50000 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 4.391190 gamma= 0.040515 meV omega= 3.1516 meV lambda( 2 )= -1.082636 gamma= -0.021290 meV omega= 4.6011 meV lambda( 3 )= -0.416126 gamma= -0.029179 meV omega= 8.6883 meV lambda( tot )= 2.892428 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 120 coord.: 0.50000 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112066 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079367 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552824 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744257 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 121 coord.: 0.50000 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026953 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026953 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 122 coord.: 0.50000 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.823402 gamma= 0.052402 meV omega= 0.6643 meV lambda( 3 )= -0.057432 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.765969 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 123 coord.: 0.50000 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307832 gamma= -0.088538 meV omega= 1.9034 meV lambda( 2 )= 0.986751 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016733 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.304348 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 124 coord.: 0.50000 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848036 gamma= -0.006867 meV omega= 2.9525 meV lambda( 2 )= 0.073381 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411968 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186622 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 125 coord.: 0.50000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112070 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079367 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552825 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744263 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 126 coord.: 0.50000 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 4.391242 gamma= 0.040516 meV omega= 3.1516 meV lambda( 2 )= -1.082636 gamma= -0.021290 meV omega= 4.6011 meV lambda( 3 )= -0.416127 gamma= -0.029179 meV omega= 8.6883 meV lambda( tot )= 2.892478 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 127 coord.: 0.50000 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.6477 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -3.6477 meV lambda( 3 )= 0.440181 gamma= 0.038978 meV omega= 9.7636 meV lambda( tot )= 0.440181 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 128 coord.: 0.50000 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026954 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026954 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 129 coord.: 0.50000 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848053 gamma= -0.006867 meV omega= 2.9525 meV lambda( 2 )= 0.073364 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411976 gamma= -0.015257 meV omega= 6.3141 meV lambda( tot )= -1.186665 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 130 coord.: 0.50000 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 56.757678 gamma= 0.059637 meV omega= 1.0636 meV lambda( 2 )= -0.336896 gamma= -0.007098 meV omega= 4.7625 meV lambda( 3 )= -0.336896 gamma= -0.007098 meV omega= 4.7625 meV lambda( tot )= 56.083886 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 131 coord.: 0.50000 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848146 gamma= -0.006868 meV omega= 2.9525 meV lambda( 2 )= 0.073337 gamma= 0.000902 meV omega= 3.6398 meV lambda( 3 )= -0.411961 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186770 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 132 coord.: 0.50000 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026955 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026955 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 133 coord.: 0.50000 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026954 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026954 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 134 coord.: 0.50000 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 4.391193 gamma= 0.040516 meV omega= 3.1516 meV lambda( 2 )= -1.082653 gamma= -0.021290 meV omega= 4.6011 meV lambda( 3 )= -0.416127 gamma= -0.029179 meV omega= 8.6883 meV lambda( tot )= 2.892413 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 135 coord.: 0.50000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112069 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079367 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552835 gamma= -0.022465 meV omega= 6.6141 meV lambda( tot )= -2.744271 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 136 coord.: 0.50000 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848184 gamma= -0.006868 meV omega= 2.9525 meV lambda( 2 )= 0.073391 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411973 gamma= -0.015257 meV omega= 6.3141 meV lambda( tot )= -1.186766 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 137 coord.: 0.50000 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307046 gamma= -0.088535 meV omega= 1.9034 meV lambda( 2 )= 0.986755 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016713 gamma= 0.022173 meV omega= 4.8454 meV lambda( tot )= -24.303578 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 138 coord.: 0.50000 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.827452 gamma= 0.052403 meV omega= 0.6643 meV lambda( 3 )= -0.057436 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.770016 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 139 coord.: 0.50000 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848042 gamma= -0.006867 meV omega= 2.9525 meV lambda( 2 )= 0.073406 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411972 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186608 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 140 coord.: 0.50000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112069 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079367 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552830 gamma= -0.022465 meV omega= 6.6141 meV lambda( tot )= -2.744266 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 141 coord.: 0.50000 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 4.391239 gamma= 0.040516 meV omega= 3.1516 meV lambda( 2 )= -1.082635 gamma= -0.021290 meV omega= 4.6011 meV lambda( 3 )= -0.416128 gamma= -0.029179 meV omega= 8.6883 meV lambda( tot )= 2.892476 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 142 coord.: 0.50000 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026950 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026950 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 143 coord.: 0.50000 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.828263 gamma= 0.052404 meV omega= 0.6643 meV lambda( 3 )= -0.057436 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.770827 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 144 coord.: 0.50000 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307727 gamma= -0.088538 meV omega= 1.9034 meV lambda( 2 )= 0.986757 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016729 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.304241 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 145 coord.: 0.66667 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.3764 meV lambda( 2 )= 0.210939 gamma= 0.001658 meV omega= 2.9086 meV lambda( 3 )= 0.210936 gamma= 0.001658 meV omega= 2.9086 meV lambda( tot )= 0.421875 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 146 coord.: 0.66667 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307912 gamma= -0.088538 meV omega= 1.9034 meV lambda( 2 )= 0.986747 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016712 gamma= 0.022173 meV omega= 4.8454 meV lambda( tot )= -24.304452 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 147 coord.: 0.66667 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.219236 gamma= 0.004263 meV omega= 4.5752 meV lambda( 2 )= 0.058560 gamma= 0.001625 meV omega= 5.4661 meV lambda( 3 )= 0.130985 gamma= 0.006111 meV omega= 7.0868 meV lambda( tot )= 0.408781 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 148 coord.: 0.66667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026954 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026954 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 149 coord.: 0.66667 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -5.3620 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -5.3620 meV lambda( 3 )= 0.097142 gamma= 0.006194 meV omega= 8.2853 meV lambda( tot )= 0.097142 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 150 coord.: 0.66667 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074383 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074383 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 151 coord.: 0.66667 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307813 gamma= -0.088538 meV omega= 1.9034 meV lambda( 2 )= 0.986749 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016731 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.304333 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 152 coord.: 0.66667 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848069 gamma= -0.006867 meV omega= 2.9525 meV lambda( 2 )= 0.073353 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411983 gamma= -0.015257 meV omega= 6.3141 meV lambda( tot )= -1.186699 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 153 coord.: 0.66667 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112068 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079366 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552843 gamma= -0.022465 meV omega= 6.6141 meV lambda( tot )= -2.744276 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 154 coord.: 0.66667 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 4.391177 gamma= 0.040515 meV omega= 3.1516 meV lambda( 2 )= -1.082641 gamma= -0.021290 meV omega= 4.6011 meV lambda( 3 )= -0.416126 gamma= -0.029179 meV omega= 8.6883 meV lambda( tot )= 2.892410 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 155 coord.: 0.66667 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026956 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026956 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 156 coord.: 0.66667 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.821434 gamma= 0.052401 meV omega= 0.6643 meV lambda( 3 )= -0.057434 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.764000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 157 coord.: 0.66667 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.219232 gamma= 0.004263 meV omega= 4.5752 meV lambda( 2 )= 0.058559 gamma= 0.001625 meV omega= 5.4661 meV lambda( 3 )= 0.130989 gamma= 0.006111 meV omega= 7.0868 meV lambda( tot )= 0.408779 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 158 coord.: 0.66667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112069 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079364 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552836 gamma= -0.022465 meV omega= 6.6141 meV lambda( tot )= -2.744269 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 159 coord.: 0.66667 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.219238 gamma= 0.004263 meV omega= 4.5752 meV lambda( 2 )= 0.058561 gamma= 0.001625 meV omega= 5.4661 meV lambda( 3 )= 0.130979 gamma= 0.006110 meV omega= 7.0868 meV lambda( tot )= 0.408779 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 160 coord.: 0.66667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112075 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079367 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552826 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744267 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 161 coord.: 0.66667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.219234 gamma= 0.004263 meV omega= 4.5752 meV lambda( 2 )= 0.058558 gamma= 0.001625 meV omega= 5.4661 meV lambda( 3 )= 0.130990 gamma= 0.006111 meV omega= 7.0868 meV lambda( tot )= 0.408782 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 162 coord.: 0.66667 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112072 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079367 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552824 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744264 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 163 coord.: 0.66667 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026954 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026954 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 164 coord.: 0.66667 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 4.391172 gamma= 0.040515 meV omega= 3.1516 meV lambda( 2 )= -1.082647 gamma= -0.021290 meV omega= 4.6011 meV lambda( 3 )= -0.416126 gamma= -0.029179 meV omega= 8.6883 meV lambda( tot )= 2.892399 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 165 coord.: 0.66667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112066 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079368 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552829 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744262 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 166 coord.: 0.66667 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848142 gamma= -0.006868 meV omega= 2.9525 meV lambda( 2 )= 0.073342 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411961 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186761 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 167 coord.: 0.66667 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307138 gamma= -0.088536 meV omega= 1.9034 meV lambda( 2 )= 0.986765 gamma= 0.018931 meV omega= 4.5446 meV lambda( 3 )= 1.016725 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.303648 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 168 coord.: 0.66667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.825636 gamma= 0.052403 meV omega= 0.6643 meV lambda( 3 )= -0.057436 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.768200 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 169 coord.: 0.66667 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -5.3620 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -5.3620 meV lambda( 3 )= 0.097143 gamma= 0.006194 meV omega= 8.2853 meV lambda( tot )= 0.097143 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 170 coord.: 0.66667 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026956 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026956 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 171 coord.: 0.66667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.219227 gamma= 0.004263 meV omega= 4.5752 meV lambda( 2 )= 0.058558 gamma= 0.001625 meV omega= 5.4661 meV lambda( 3 )= 0.130983 gamma= 0.006111 meV omega= 7.0868 meV lambda( tot )= 0.408768 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 172 coord.: 0.66667 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307068 gamma= -0.088535 meV omega= 1.9034 meV lambda( 2 )= 0.986755 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016713 gamma= 0.022173 meV omega= 4.8454 meV lambda( tot )= -24.303600 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 173 coord.: 0.66667 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.3764 meV lambda( 2 )= 0.210938 gamma= 0.001658 meV omega= 2.9086 meV lambda( 3 )= 0.210937 gamma= 0.001658 meV omega= 2.9086 meV lambda( tot )= 0.421876 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 174 coord.: 0.66667 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074402 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074402 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 175 coord.: 0.66667 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074386 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074386 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 176 coord.: 0.66667 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.821998 gamma= 0.052401 meV omega= 0.6643 meV lambda( 3 )= -0.057435 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.764562 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 177 coord.: 0.66667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112072 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079371 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552824 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744266 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 178 coord.: 0.66667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.828092 gamma= 0.052404 meV omega= 0.6643 meV lambda( 3 )= -0.057435 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.770657 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 179 coord.: 0.66667 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074404 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074404 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 180 coord.: 0.66667 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8509 meV lambda( 2 )= -8.860480 gamma= -0.004791 meV omega= 0.7629 meV lambda( 3 )= 0.047002 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.813478 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 181 coord.: 0.83333 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.4591 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 182 coord.: 0.83333 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8509 meV lambda( 2 )= -8.860193 gamma= -0.004791 meV omega= 0.7629 meV lambda( 3 )= 0.047005 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.813188 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 183 coord.: 0.83333 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307115 gamma= -0.088536 meV omega= 1.9034 meV lambda( 2 )= 0.986766 gamma= 0.018931 meV omega= 4.5446 meV lambda( 3 )= 1.016730 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.303619 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 184 coord.: 0.83333 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848030 gamma= -0.006867 meV omega= 2.9525 meV lambda( 2 )= 0.073366 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411966 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186630 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 185 coord.: 0.83333 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074384 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074384 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 186 coord.: 0.83333 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7009 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.7009 meV lambda( 3 )= 1.431378 gamma= 0.027897 meV omega= 4.5806 meV lambda( tot )= 1.431378 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 187 coord.: 0.83333 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8509 meV lambda( 2 )= -8.860356 gamma= -0.004791 meV omega= 0.7629 meV lambda( 3 )= 0.047036 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.813320 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 188 coord.: 0.83333 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074387 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074387 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 189 coord.: 0.83333 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.833793 gamma= 0.052406 meV omega= 0.6643 meV lambda( 3 )= -0.057438 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.776355 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 190 coord.: 0.83333 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112063 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079368 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552829 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744260 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 191 coord.: 0.83333 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.821563 gamma= 0.052401 meV omega= 0.6643 meV lambda( 3 )= -0.057434 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.764129 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 192 coord.: 0.83333 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074402 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074402 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 193 coord.: 0.83333 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307267 gamma= -0.088536 meV omega= 1.9034 meV lambda( 2 )= 0.986767 gamma= 0.018931 meV omega= 4.5446 meV lambda( 3 )= 1.016720 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.303779 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 194 coord.: 0.83333 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.828306 gamma= 0.052404 meV omega= 0.6643 meV lambda( 3 )= -0.057436 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.770870 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 195 coord.: 0.83333 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026949 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026949 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 196 coord.: 0.83333 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 4.391248 gamma= 0.040516 meV omega= 3.1516 meV lambda( 2 )= -1.082638 gamma= -0.021290 meV omega= 4.6011 meV lambda( 3 )= -0.416127 gamma= -0.029179 meV omega= 8.6883 meV lambda( tot )= 2.892483 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 197 coord.: 0.83333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112075 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079366 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552824 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744265 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 198 coord.: 0.83333 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848158 gamma= -0.006868 meV omega= 2.9525 meV lambda( 2 )= 0.073366 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411963 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186755 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 199 coord.: 0.83333 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848049 gamma= -0.006867 meV omega= 2.9525 meV lambda( 2 )= 0.073401 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411972 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186619 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 200 coord.: 0.83333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112070 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079366 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552831 gamma= -0.022465 meV omega= 6.6141 meV lambda( tot )= -2.744267 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 201 coord.: 0.83333 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 4.391248 gamma= 0.040516 meV omega= 3.1516 meV lambda( 2 )= -1.082640 gamma= -0.021290 meV omega= 4.6011 meV lambda( 3 )= -0.416127 gamma= -0.029179 meV omega= 8.6883 meV lambda( tot )= 2.892480 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 202 coord.: 0.83333 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -2.1784 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9745 meV lambda( 3 )= 0.026955 gamma= 0.001969 meV omega= 8.8679 meV lambda( tot )= 0.026955 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 203 coord.: 0.83333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.825898 gamma= 0.052403 meV omega= 0.6643 meV lambda( 3 )= -0.057436 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.768462 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 204 coord.: 0.83333 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307782 gamma= -0.088538 meV omega= 1.9034 meV lambda( 2 )= 0.986755 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016733 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.304294 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 205 coord.: 0.83333 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074384 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074384 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 206 coord.: 0.83333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.821607 gamma= 0.052401 meV omega= 0.6643 meV lambda( 3 )= -0.057433 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.764174 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 207 coord.: 0.83333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -2.112074 gamma= -0.033311 meV omega= 4.1206 meV lambda( 2 )= -0.079370 gamma= -0.002972 meV omega= 6.3489 meV lambda( 3 )= -0.552824 gamma= -0.022464 meV omega= 6.6141 meV lambda( tot )= -2.744269 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 208 coord.: 0.83333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3773 meV lambda( 2 )= 127.826237 gamma= 0.052403 meV omega= 0.6643 meV lambda( 3 )= -0.057437 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 127.768801 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 209 coord.: 0.83333 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074403 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074403 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 210 coord.: 0.83333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8509 meV lambda( 2 )= -8.860333 gamma= -0.004791 meV omega= 0.7629 meV lambda( 3 )= 0.047018 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.813315 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 211 coord.: 0.83333 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7009 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.7009 meV lambda( 3 )= 1.431380 gamma= 0.027897 meV omega= 4.5806 meV lambda( tot )= 1.431380 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 212 coord.: 0.83333 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.7033 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2534 meV lambda( 3 )= -0.074401 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074401 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 213 coord.: 0.83333 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.848120 gamma= -0.006868 meV omega= 2.9525 meV lambda( 2 )= 0.073352 gamma= 0.000903 meV omega= 3.6398 meV lambda( 3 )= -0.411960 gamma= -0.015256 meV omega= 6.3141 meV lambda( tot )= -1.186727 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 214 coord.: 0.83333 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -26.307685 gamma= -0.088537 meV omega= 1.9034 meV lambda( 2 )= 0.986757 gamma= 0.018930 meV omega= 4.5446 meV lambda( 3 )= 1.016731 gamma= 0.022174 meV omega= 4.8454 meV lambda( tot )= -24.304197 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 215 coord.: 0.83333 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8509 meV lambda( 2 )= -8.860448 gamma= -0.004791 meV omega= 0.7629 meV lambda( 3 )= 0.046999 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.813449 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 ismear = 1 iq = 216 coord.: 0.83333 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -3.4591 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6972 meV lambda( tot )= 0.000000 ------------------------------------------------------------------- Number of (k,k+q) pairs on the Fermi surface: 214 out of 216 WARNING: only the eigenstates within the Fermi window are meaningful ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= 6.8737 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000 E( 3 )= 6.8737 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000 E( 4 )= 6.8737 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 601.232693 meV Im[Sigma]= 2244.874702 meV Z= 2.846212 lam= -0.648656 E( 3 )= 6.4212 eV Re[Sigma]= 1046.415842 meV Im[Sigma]= 147.636290 meV Z= 0.831426 lam= 0.202752 E( 4 )= 6.4212 eV Re[Sigma]= 1046.415867 meV Im[Sigma]= 147.636298 meV Z= 0.831426 lam= 0.202752 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1105.130880 meV Im[Sigma]= 794.132701 meV Z= 0.768195 lam= 0.301754 E( 3 )= 5.4492 eV Re[Sigma]= 1633.208327 meV Im[Sigma]= 1072.179006 meV Z= 0.952783 lam= 0.049556 E( 4 )= 5.4492 eV Re[Sigma]= 1633.208417 meV Im[Sigma]= 1072.179059 meV Z= 0.952783 lam= 0.049557 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -6.1085 eV Re[Sigma]= -1100.108738 meV Im[Sigma]= 10.956624 meV Z= 0.790482 lam= 0.265051 E( 3 )= 4.9298 eV Re[Sigma]= 1455.663306 meV Im[Sigma]= 1227.059037 meV Z= 1.100530 lam= -0.091347 E( 4 )= 4.9298 eV Re[Sigma]= 1455.663096 meV Im[Sigma]= 1227.058835 meV Z= 1.100530 lam= -0.091347 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1105.131155 meV Im[Sigma]= 794.124372 meV Z= 0.768190 lam= 0.301760 E( 3 )= 5.4492 eV Re[Sigma]= 1633.210076 meV Im[Sigma]= 1072.181771 meV Z= 0.952784 lam= 0.049556 E( 4 )= 5.4492 eV Re[Sigma]= 1633.210214 meV Im[Sigma]= 1072.182028 meV Z= 0.952784 lam= 0.049556 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 601.232876 meV Im[Sigma]= 2244.901431 meV Z= 2.846291 lam= -0.648666 E( 3 )= 6.4212 eV Re[Sigma]= 1046.409469 meV Im[Sigma]= 147.633900 meV Z= 0.831427 lam= 0.202752 E( 4 )= 6.4212 eV Re[Sigma]= 1046.409619 meV Im[Sigma]= 147.633909 meV Z= 0.831427 lam= 0.202752 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 601.232757 meV Im[Sigma]= 2244.874660 meV Z= 2.846211 lam= -0.648656 E( 3 )= 6.4212 eV Re[Sigma]= 1046.415854 meV Im[Sigma]= 147.636288 meV Z= 0.831426 lam= 0.202752 E( 4 )= 6.4212 eV Re[Sigma]= 1046.415912 meV Im[Sigma]= 147.636298 meV Z= 0.831426 lam= 0.202752 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= 4.7377 eV Re[Sigma]= 629.058800 meV Im[Sigma]= 633.297051 meV Z= 1.017011 lam= -0.016727 E( 3 )= 5.4468 eV Re[Sigma]= 1097.915123 meV Im[Sigma]= 2346.840380 meV Z= 8.366136 lam= -0.880471 E( 4 )= 5.4468 eV Re[Sigma]= 1097.913238 meV Im[Sigma]= 2346.836020 meV Z= 8.366007 lam= -0.880469 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.552772 meV Im[Sigma]= 1844.060168 meV Z= 1.820648 lam= -0.450745 E( 3 )= 4.2119 eV Re[Sigma]= 540.825085 meV Im[Sigma]= 3677.599286 meV Z= -5.468199 lam= -1.182876 E( 4 )= 4.6034 eV Re[Sigma]= 1154.237750 meV Im[Sigma]= 3002.289077 meV Z= -12.344712 lam= -1.081006 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.331534 meV Im[Sigma]= 960.662416 meV Z= 1.048926 lam= -0.046644 E( 3 )= 3.1191 eV Re[Sigma]= 522.822590 meV Im[Sigma]= 4270.591837 meV Z= -3.906359 lam= -1.255993 E( 4 )= 3.9347 eV Re[Sigma]= 1436.576018 meV Im[Sigma]= 3706.712411 meV Z= -4.739222 lam= -1.211005 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.294788 meV Im[Sigma]= 3056.926430 meV Z= -3.550740 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.925403 meV Im[Sigma]= 3549.677093 meV Z= -11.506353 lam= -1.086909 E( 4 )= 4.9592 eV Re[Sigma]= 1609.655420 meV Im[Sigma]= 1252.594520 meV Z= 1.049978 lam= -0.047599 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 80.829388 meV Im[Sigma]= 1617.735638 meV Z= 1.073441 lam= -0.068416 E( 3 )= 3.9714 eV Re[Sigma]= 600.863836 meV Im[Sigma]= 3869.375962 meV Z= -6.543497 lam= -1.152823 E( 4 )= 6.2108 eV Re[Sigma]= 891.211074 meV Im[Sigma]= 180.872336 meV Z= 0.872674 lam= 0.145903 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1105.130856 meV Im[Sigma]= 794.132714 meV Z= 0.768195 lam= 0.301754 E( 3 )= 5.4492 eV Re[Sigma]= 1633.208298 meV Im[Sigma]= 1072.178989 meV Z= 0.952783 lam= 0.049557 E( 4 )= 5.4492 eV Re[Sigma]= 1633.208374 meV Im[Sigma]= 1072.179014 meV Z= 0.952783 lam= 0.049557 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.552726 meV Im[Sigma]= 1844.060295 meV Z= 1.820648 lam= -0.450745 E( 3 )= 4.2119 eV Re[Sigma]= 540.825053 meV Im[Sigma]= 3677.599282 meV Z= -5.468197 lam= -1.182876 E( 4 )= 4.6034 eV Re[Sigma]= 1154.237635 meV Im[Sigma]= 3002.288544 meV Z= -12.344750 lam= -1.081006 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -0.4940 eV Re[Sigma]= -755.596982 meV Im[Sigma]= 656.198081 meV Z= 0.771793 lam= 0.295685 E( 3 )= 2.4513 eV Re[Sigma]= -339.079337 meV Im[Sigma]= 1999.736429 meV Z= 1.316108 lam= -0.240184 E( 4 )= 2.4513 eV Re[Sigma]= -339.070491 meV Im[Sigma]= 1999.742645 meV Z= 1.316110 lam= -0.240185 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.362969 meV Im[Sigma]= 2070.917082 meV Z= 3.776037 lam= -0.735172 E( 3 )= 0.4945 eV Re[Sigma]= -149.267363 meV Im[Sigma]= 3309.687176 meV Z= 9.313313 lam= -0.892627 E( 4 )= 1.9112 eV Re[Sigma]= -359.013771 meV Im[Sigma]= 2511.105032 meV Z= 1.584367 lam= -0.368833 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -799.674638 meV Im[Sigma]= 1349.594790 meV Z= 0.845718 lam= 0.182427 E( 3 )= -2.0558 eV Re[Sigma]= -1153.941601 meV Im[Sigma]= 3173.293979 meV Z= -60.018017 lam= -1.016662 E( 4 )= 3.1818 eV Re[Sigma]= 569.942227 meV Im[Sigma]= 4951.000542 meV Z= -1.379277 lam= -1.725017 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.296426 meV Im[Sigma]= 3056.927605 meV Z= -3.550741 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.927496 meV Im[Sigma]= 3549.685536 meV Z= -11.505937 lam= -1.086912 E( 4 )= 4.9592 eV Re[Sigma]= 1609.649323 meV Im[Sigma]= 1252.595261 meV Z= 1.049980 lam= -0.047601 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -6.1085 eV Re[Sigma]= -1100.108651 meV Im[Sigma]= 10.956623 meV Z= 0.790482 lam= 0.265051 E( 3 )= 4.9298 eV Re[Sigma]= 1455.663300 meV Im[Sigma]= 1227.059265 meV Z= 1.100530 lam= -0.091347 E( 4 )= 4.9298 eV Re[Sigma]= 1455.663255 meV Im[Sigma]= 1227.059269 meV Z= 1.100530 lam= -0.091347 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.331610 meV Im[Sigma]= 960.662339 meV Z= 1.048926 lam= -0.046644 E( 3 )= 3.1191 eV Re[Sigma]= 522.822422 meV Im[Sigma]= 4270.591854 meV Z= -3.906358 lam= -1.255993 E( 4 )= 3.9347 eV Re[Sigma]= 1436.575918 meV Im[Sigma]= 3706.713035 meV Z= -4.739215 lam= -1.211005 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.362721 meV Im[Sigma]= 2070.917573 meV Z= 3.776041 lam= -0.735172 E( 3 )= 0.4945 eV Re[Sigma]= -149.267458 meV Im[Sigma]= 3309.687335 meV Z= 9.313317 lam= -0.892627 E( 4 )= 1.9112 eV Re[Sigma]= -359.014182 meV Im[Sigma]= 2511.105445 meV Z= 1.584367 lam= -0.368833 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.9469 eV Re[Sigma]= -1555.436196 meV Im[Sigma]= 193.991104 meV Z= 0.788707 lam= 0.267897 E( 3 )= 0.8828 eV Re[Sigma]= -116.006379 meV Im[Sigma]= 359.477808 meV Z= 0.823049 lam= 0.214995 E( 4 )= 0.8828 eV Re[Sigma]= -116.006384 meV Im[Sigma]= 359.477824 meV Z= 0.823049 lam= 0.214995 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.359595 meV Im[Sigma]= 2070.922999 meV Z= 3.776084 lam= -0.735175 E( 3 )= 0.4945 eV Re[Sigma]= -149.268221 meV Im[Sigma]= 3309.692609 meV Z= 9.313390 lam= -0.892628 E( 4 )= 1.9112 eV Re[Sigma]= -359.014147 meV Im[Sigma]= 2511.097424 meV Z= 1.584360 lam= -0.368830 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.329585 meV Im[Sigma]= 960.664412 meV Z= 1.048928 lam= -0.046646 E( 3 )= 3.1191 eV Re[Sigma]= 522.825854 meV Im[Sigma]= 4270.612692 meV Z= -3.906232 lam= -1.256001 E( 4 )= 3.9347 eV Re[Sigma]= 1436.565403 meV Im[Sigma]= 3706.697940 meV Z= -4.739342 lam= -1.211000 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1105.131227 meV Im[Sigma]= 794.124462 meV Z= 0.768191 lam= 0.301760 E( 3 )= 5.4492 eV Re[Sigma]= 1633.210450 meV Im[Sigma]= 1072.182899 meV Z= 0.952784 lam= 0.049555 E( 4 )= 5.4492 eV Re[Sigma]= 1633.210305 meV Im[Sigma]= 1072.182999 meV Z= 0.952784 lam= 0.049555 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.294794 meV Im[Sigma]= 3056.926501 meV Z= -3.550740 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.925101 meV Im[Sigma]= 3549.678031 meV Z= -11.506290 lam= -1.086909 E( 4 )= 4.9592 eV Re[Sigma]= 1609.656141 meV Im[Sigma]= 1252.596847 meV Z= 1.049979 lam= -0.047600 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -799.674773 meV Im[Sigma]= 1349.595136 meV Z= 0.845718 lam= 0.182427 E( 3 )= -2.0558 eV Re[Sigma]= -1153.941967 meV Im[Sigma]= 3173.293895 meV Z= -60.018444 lam= -1.016662 E( 4 )= 3.1818 eV Re[Sigma]= 569.941646 meV Im[Sigma]= 4951.004174 meV Z= -1.379274 lam= -1.725019 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.359444 meV Im[Sigma]= 2070.924208 meV Z= 3.776092 lam= -0.735176 E( 3 )= 0.4945 eV Re[Sigma]= -149.268300 meV Im[Sigma]= 3309.693006 meV Z= 9.313387 lam= -0.892628 E( 4 )= 1.9112 eV Re[Sigma]= -359.014534 meV Im[Sigma]= 2511.098376 meV Z= 1.584360 lam= -0.368830 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -0.4940 eV Re[Sigma]= -755.595894 meV Im[Sigma]= 656.197764 meV Z= 0.771793 lam= 0.295684 E( 3 )= 2.4513 eV Re[Sigma]= -339.078246 meV Im[Sigma]= 1999.738463 meV Z= 1.316109 lam= -0.240184 E( 4 )= 2.4513 eV Re[Sigma]= -339.073121 meV Im[Sigma]= 1999.742076 meV Z= 1.316110 lam= -0.240185 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.553418 meV Im[Sigma]= 1844.068227 meV Z= 1.820661 lam= -0.450749 E( 3 )= 4.2119 eV Re[Sigma]= 540.824357 meV Im[Sigma]= 3677.598842 meV Z= -5.468099 lam= -1.182879 E( 4 )= 4.6034 eV Re[Sigma]= 1154.240790 meV Im[Sigma]= 3002.296724 meV Z= -12.344427 lam= -1.081008 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 601.232629 meV Im[Sigma]= 2244.901791 meV Z= 2.846291 lam= -0.648666 E( 3 )= 6.4212 eV Re[Sigma]= 1046.409640 meV Im[Sigma]= 147.633911 meV Z= 0.831427 lam= 0.202752 E( 4 )= 6.4212 eV Re[Sigma]= 1046.409724 meV Im[Sigma]= 147.633875 meV Z= 0.831427 lam= 0.202752 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 80.829454 meV Im[Sigma]= 1617.735629 meV Z= 1.073441 lam= -0.068416 E( 3 )= 3.9714 eV Re[Sigma]= 600.863487 meV Im[Sigma]= 3869.377137 meV Z= -6.543479 lam= -1.152824 E( 4 )= 6.2108 eV Re[Sigma]= 891.211248 meV Im[Sigma]= 180.872524 meV Z= 0.872674 lam= 0.145903 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.296484 meV Im[Sigma]= 3056.927711 meV Z= -3.550740 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.926956 meV Im[Sigma]= 3549.686537 meV Z= -11.505888 lam= -1.086912 E( 4 )= 4.9592 eV Re[Sigma]= 1609.649798 meV Im[Sigma]= 1252.595444 meV Z= 1.049980 lam= -0.047601 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.329790 meV Im[Sigma]= 960.664441 meV Z= 1.048928 lam= -0.046646 E( 3 )= 3.1191 eV Re[Sigma]= 522.826237 meV Im[Sigma]= 4270.614623 meV Z= -3.906220 lam= -1.256002 E( 4 )= 3.9347 eV Re[Sigma]= 1436.566253 meV Im[Sigma]= 3706.699125 meV Z= -4.739335 lam= -1.211000 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.553262 meV Im[Sigma]= 1844.068287 meV Z= 1.820661 lam= -0.450749 E( 3 )= 4.2119 eV Re[Sigma]= 540.824617 meV Im[Sigma]= 3677.597449 meV Z= -5.468122 lam= -1.182878 E( 4 )= 4.6034 eV Re[Sigma]= 1154.241013 meV Im[Sigma]= 3002.297802 meV Z= -12.344349 lam= -1.081009 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= 4.7377 eV Re[Sigma]= 629.058688 meV Im[Sigma]= 633.297224 meV Z= 1.017012 lam= -0.016727 E( 3 )= 5.4468 eV Re[Sigma]= 1097.920184 meV Im[Sigma]= 2346.851645 meV Z= 8.366451 lam= -0.880475 E( 4 )= 5.4468 eV Re[Sigma]= 1097.909097 meV Im[Sigma]= 2346.825825 meV Z= 8.365688 lam= -0.880464 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 601.232786 meV Im[Sigma]= 2244.874758 meV Z= 2.846212 lam= -0.648656 E( 3 )= 6.4212 eV Re[Sigma]= 1046.415826 meV Im[Sigma]= 147.636300 meV Z= 0.831426 lam= 0.202752 E( 4 )= 6.4212 eV Re[Sigma]= 1046.415855 meV Im[Sigma]= 147.636296 meV Z= 0.831426 lam= 0.202752 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= 4.7377 eV Re[Sigma]= 629.058757 meV Im[Sigma]= 633.297091 meV Z= 1.017011 lam= -0.016727 E( 3 )= 5.4468 eV Re[Sigma]= 1097.908880 meV Im[Sigma]= 2346.825899 meV Z= 8.365705 lam= -0.880464 E( 4 )= 5.4468 eV Re[Sigma]= 1097.919505 meV Im[Sigma]= 2346.850560 meV Z= 8.366435 lam= -0.880475 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.552750 meV Im[Sigma]= 1844.060234 meV Z= 1.820648 lam= -0.450745 E( 3 )= 4.2119 eV Re[Sigma]= 540.825129 meV Im[Sigma]= 3677.599225 meV Z= -5.468200 lam= -1.182876 E( 4 )= 4.6034 eV Re[Sigma]= 1154.237832 meV Im[Sigma]= 3002.289116 meV Z= -12.344715 lam= -1.081006 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.331820 meV Im[Sigma]= 960.662212 meV Z= 1.048926 lam= -0.046644 E( 3 )= 3.1191 eV Re[Sigma]= 522.822554 meV Im[Sigma]= 4270.592233 meV Z= -3.906356 lam= -1.255993 E( 4 )= 3.9347 eV Re[Sigma]= 1436.576089 meV Im[Sigma]= 3706.712707 meV Z= -4.739220 lam= -1.211005 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.294997 meV Im[Sigma]= 3056.926407 meV Z= -3.550740 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.925280 meV Im[Sigma]= 3549.677712 meV Z= -11.506305 lam= -1.086909 E( 4 )= 4.9592 eV Re[Sigma]= 1609.655784 meV Im[Sigma]= 1252.595331 meV Z= 1.049978 lam= -0.047599 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 80.829248 meV Im[Sigma]= 1617.735428 meV Z= 1.073441 lam= -0.068416 E( 3 )= 3.9714 eV Re[Sigma]= 600.863217 meV Im[Sigma]= 3869.376242 meV Z= -6.543493 lam= -1.152824 E( 4 )= 6.2108 eV Re[Sigma]= 891.211135 meV Im[Sigma]= 180.872398 meV Z= 0.872674 lam= 0.145903 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.7377 eV Re[Sigma]= 629.058849 meV Im[Sigma]= 633.297045 meV Z= 1.017011 lam= -0.016727 E( 3 )= 5.4468 eV Re[Sigma]= 1097.916181 meV Im[Sigma]= 2346.842769 meV Z= 8.366206 lam= -0.880472 E( 4 )= 5.4468 eV Re[Sigma]= 1097.912167 meV Im[Sigma]= 2346.833385 meV Z= 8.365928 lam= -0.880468 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 601.232745 meV Im[Sigma]= 2244.900295 meV Z= 2.846287 lam= -0.648665 E( 3 )= 6.4212 eV Re[Sigma]= 1046.409515 meV Im[Sigma]= 147.633869 meV Z= 0.831427 lam= 0.202752 E( 4 )= 6.4212 eV Re[Sigma]= 1046.409514 meV Im[Sigma]= 147.633868 meV Z= 0.831427 lam= 0.202752 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 80.829320 meV Im[Sigma]= 1617.735887 meV Z= 1.073441 lam= -0.068416 E( 3 )= 3.9714 eV Re[Sigma]= 600.863357 meV Im[Sigma]= 3869.375514 meV Z= -6.543499 lam= -1.152823 E( 4 )= 6.2108 eV Re[Sigma]= 891.211197 meV Im[Sigma]= 180.872469 meV Z= 0.872674 lam= 0.145903 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.296354 meV Im[Sigma]= 3056.927711 meV Z= -3.550740 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.927342 meV Im[Sigma]= 3549.684907 meV Z= -11.505959 lam= -1.086911 E( 4 )= 4.9592 eV Re[Sigma]= 1609.649181 meV Im[Sigma]= 1252.595080 meV Z= 1.049980 lam= -0.047601 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.329677 meV Im[Sigma]= 960.664452 meV Z= 1.048928 lam= -0.046646 E( 3 )= 3.1191 eV Re[Sigma]= 522.825750 meV Im[Sigma]= 4270.611706 meV Z= -3.906236 lam= -1.256001 E( 4 )= 3.9347 eV Re[Sigma]= 1436.565872 meV Im[Sigma]= 3706.697270 meV Z= -4.739350 lam= -1.210999 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.553442 meV Im[Sigma]= 1844.068770 meV Z= 1.820662 lam= -0.450749 E( 3 )= 4.2119 eV Re[Sigma]= 540.824814 meV Im[Sigma]= 3677.596420 meV Z= -5.468129 lam= -1.182878 E( 4 )= 4.6034 eV Re[Sigma]= 1154.240769 meV Im[Sigma]= 3002.297159 meV Z= -12.344363 lam= -1.081009 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.552767 meV Im[Sigma]= 1844.060194 meV Z= 1.820648 lam= -0.450745 E( 3 )= 4.2119 eV Re[Sigma]= 540.825034 meV Im[Sigma]= 3677.599070 meV Z= -5.468200 lam= -1.182876 E( 4 )= 4.6034 eV Re[Sigma]= 1154.237778 meV Im[Sigma]= 3002.288386 meV Z= -12.344765 lam= -1.081006 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 80.829333 meV Im[Sigma]= 1617.735984 meV Z= 1.073441 lam= -0.068416 E( 3 )= 3.9714 eV Re[Sigma]= 600.863368 meV Im[Sigma]= 3869.375022 meV Z= -6.543505 lam= -1.152823 E( 4 )= 6.2108 eV Re[Sigma]= 891.211212 meV Im[Sigma]= 180.872499 meV Z= 0.872674 lam= 0.145903 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.553437 meV Im[Sigma]= 1844.068889 meV Z= 1.820662 lam= -0.450749 E( 3 )= 4.2119 eV Re[Sigma]= 540.824533 meV Im[Sigma]= 3677.597029 meV Z= -5.468123 lam= -1.182878 E( 4 )= 4.6034 eV Re[Sigma]= 1154.240814 meV Im[Sigma]= 3002.297036 meV Z= -12.344369 lam= -1.081009 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702849 meV Im[Sigma]= 2289.071044 meV Z= 6.509013 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208374 meV Im[Sigma]= 3020.169801 meV Z= 3.482573 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750269 meV Im[Sigma]= 4819.993920 meV Z= -1.155806 lam= -1.865197 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735086 meV Im[Sigma]= 2755.867716 meV Z= -17.913517 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042561 meV Im[Sigma]= 2999.572610 meV Z= 3.506639 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.396970 meV Im[Sigma]= 4268.783871 meV Z= -3.523507 lam= -1.283808 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702944 meV Im[Sigma]= 2289.070794 meV Z= 6.509009 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208309 meV Im[Sigma]= 3020.169308 meV Z= 3.482569 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750447 meV Im[Sigma]= 4819.993565 meV Z= -1.155806 lam= -1.865197 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.331578 meV Im[Sigma]= 960.662402 meV Z= 1.048926 lam= -0.046644 E( 3 )= 3.1191 eV Re[Sigma]= 522.822382 meV Im[Sigma]= 4270.591922 meV Z= -3.906357 lam= -1.255993 E( 4 )= 3.9347 eV Re[Sigma]= 1436.575836 meV Im[Sigma]= 3706.712794 meV Z= -4.739217 lam= -1.211005 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.296376 meV Im[Sigma]= 3056.927422 meV Z= -3.550742 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.927343 meV Im[Sigma]= 3549.684811 meV Z= -11.505961 lam= -1.086911 E( 4 )= 4.9592 eV Re[Sigma]= 1609.649140 meV Im[Sigma]= 1252.594992 meV Z= 1.049980 lam= -0.047601 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.703009 meV Im[Sigma]= 2289.071007 meV Z= 6.509013 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208162 meV Im[Sigma]= 3020.169715 meV Z= 3.482574 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750280 meV Im[Sigma]= 4819.993834 meV Z= -1.155806 lam= -1.865197 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.359848 meV Im[Sigma]= 2070.924536 meV Z= 3.776092 lam= -0.735176 E( 3 )= 0.4945 eV Re[Sigma]= -149.267776 meV Im[Sigma]= 3309.692771 meV Z= 9.313404 lam= -0.892628 E( 4 )= 1.9112 eV Re[Sigma]= -359.013841 meV Im[Sigma]= 2511.097167 meV Z= 1.584360 lam= -0.368830 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1330.445389 meV Im[Sigma]= 2152.010097 meV Z= 2.108741 lam= -0.525783 E( 3 )= -0.6208 eV Re[Sigma]= -223.241805 meV Im[Sigma]= 1551.141285 meV Z= 0.971847 lam= 0.028968 E( 4 )= 1.0451 eV Re[Sigma]= -79.444280 meV Im[Sigma]= 4550.613083 meV Z= -1.736234 lam= -1.575959 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735141 meV Im[Sigma]= 2755.867957 meV Z= -17.913490 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042759 meV Im[Sigma]= 2999.573369 meV Z= 3.506643 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.396858 meV Im[Sigma]= 4268.784372 meV Z= -3.523504 lam= -1.283808 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.294765 meV Im[Sigma]= 3056.926257 meV Z= -3.550741 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.924989 meV Im[Sigma]= 3549.677498 meV Z= -11.506321 lam= -1.086909 E( 4 )= 4.9592 eV Re[Sigma]= 1609.655989 meV Im[Sigma]= 1252.596231 meV Z= 1.049978 lam= -0.047599 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.329613 meV Im[Sigma]= 960.664409 meV Z= 1.048928 lam= -0.046646 E( 3 )= 3.1191 eV Re[Sigma]= 522.825846 meV Im[Sigma]= 4270.612931 meV Z= -3.906228 lam= -1.256001 E( 4 )= 3.9347 eV Re[Sigma]= 1436.565662 meV Im[Sigma]= 3706.697589 meV Z= -4.739346 lam= -1.211000 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735253 meV Im[Sigma]= 2755.867656 meV Z= -17.913538 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042950 meV Im[Sigma]= 2999.573413 meV Z= 3.506643 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397208 meV Im[Sigma]= 4268.784902 meV Z= -3.523500 lam= -1.283809 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1330.445824 meV Im[Sigma]= 2152.010116 meV Z= 2.108741 lam= -0.525783 E( 3 )= -0.6208 eV Re[Sigma]= -223.241777 meV Im[Sigma]= 1551.141306 meV Z= 0.971847 lam= 0.028968 E( 4 )= 1.0451 eV Re[Sigma]= -79.444496 meV Im[Sigma]= 4550.615697 meV Z= -1.736230 lam= -1.575961 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.362393 meV Im[Sigma]= 2070.915959 meV Z= 3.776032 lam= -0.735172 E( 3 )= 0.4945 eV Re[Sigma]= -149.267704 meV Im[Sigma]= 3309.687807 meV Z= 9.313321 lam= -0.892627 E( 4 )= 1.9112 eV Re[Sigma]= -359.014347 meV Im[Sigma]= 2511.105768 meV Z= 1.584367 lam= -0.368833 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702543 meV Im[Sigma]= 2289.069856 meV Z= 6.508996 lam= -0.846366 E( 3 )= 0.9376 eV Re[Sigma]= -693.209320 meV Im[Sigma]= 3020.169068 meV Z= 3.482564 lam= -0.712855 E( 4 )= 3.6085 eV Re[Sigma]= 924.750288 meV Im[Sigma]= 4819.994069 meV Z= -1.155806 lam= -1.865197 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 80.829442 meV Im[Sigma]= 1617.735578 meV Z= 1.073441 lam= -0.068416 E( 3 )= 3.9714 eV Re[Sigma]= 600.863426 meV Im[Sigma]= 3869.376596 meV Z= -6.543489 lam= -1.152824 E( 4 )= 6.2108 eV Re[Sigma]= 891.211381 meV Im[Sigma]= 180.872619 meV Z= 0.872674 lam= 0.145903 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.553397 meV Im[Sigma]= 1844.068795 meV Z= 1.820662 lam= -0.450749 E( 3 )= 4.2119 eV Re[Sigma]= 540.824624 meV Im[Sigma]= 3677.597113 meV Z= -5.468120 lam= -1.182878 E( 4 )= 4.6034 eV Re[Sigma]= 1154.240712 meV Im[Sigma]= 3002.298166 meV Z= -12.344289 lam= -1.081009 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702906 meV Im[Sigma]= 2289.071029 meV Z= 6.509013 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208711 meV Im[Sigma]= 3020.169381 meV Z= 3.482568 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750668 meV Im[Sigma]= 4819.994994 meV Z= -1.155805 lam= -1.865198 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735419 meV Im[Sigma]= 2755.868447 meV Z= -17.913410 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.043020 meV Im[Sigma]= 2999.574306 meV Z= 3.506650 lam= -0.714828 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397687 meV Im[Sigma]= 4268.786242 meV Z= -3.523495 lam= -1.283809 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702677 meV Im[Sigma]= 2289.069808 meV Z= 6.508991 lam= -0.846366 E( 3 )= 0.9376 eV Re[Sigma]= -693.209250 meV Im[Sigma]= 3020.169650 meV Z= 3.482568 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750779 meV Im[Sigma]= 4819.994177 meV Z= -1.155806 lam= -1.865197 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.552704 meV Im[Sigma]= 1844.059609 meV Z= 1.820647 lam= -0.450745 E( 3 )= 4.2119 eV Re[Sigma]= 540.825203 meV Im[Sigma]= 3677.600511 meV Z= -5.468187 lam= -1.182876 E( 4 )= 4.6034 eV Re[Sigma]= 1154.237973 meV Im[Sigma]= 3002.288372 meV Z= -12.344799 lam= -1.081006 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1105.130829 meV Im[Sigma]= 794.132714 meV Z= 0.768195 lam= 0.301754 E( 3 )= 5.4492 eV Re[Sigma]= 1633.208359 meV Im[Sigma]= 1072.179037 meV Z= 0.952783 lam= 0.049557 E( 4 )= 5.4492 eV Re[Sigma]= 1633.208329 meV Im[Sigma]= 1072.179002 meV Z= 0.952783 lam= 0.049557 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.552730 meV Im[Sigma]= 1844.060302 meV Z= 1.820648 lam= -0.450745 E( 3 )= 4.2119 eV Re[Sigma]= 540.825105 meV Im[Sigma]= 3677.599136 meV Z= -5.468200 lam= -1.182876 E( 4 )= 4.6034 eV Re[Sigma]= 1154.237751 meV Im[Sigma]= 3002.288869 meV Z= -12.344730 lam= -1.081006 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -0.4940 eV Re[Sigma]= -755.596963 meV Im[Sigma]= 656.198087 meV Z= 0.771793 lam= 0.295685 E( 3 )= 2.4513 eV Re[Sigma]= -339.078523 meV Im[Sigma]= 1999.737023 meV Z= 1.316108 lam= -0.240184 E( 4 )= 2.4513 eV Re[Sigma]= -339.071295 meV Im[Sigma]= 1999.742063 meV Z= 1.316110 lam= -0.240185 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.362896 meV Im[Sigma]= 2070.917271 meV Z= 3.776038 lam= -0.735172 E( 3 )= 0.4945 eV Re[Sigma]= -149.267425 meV Im[Sigma]= 3309.687355 meV Z= 9.313317 lam= -0.892627 E( 4 )= 1.9112 eV Re[Sigma]= -359.014027 meV Im[Sigma]= 2511.105336 meV Z= 1.584367 lam= -0.368833 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -799.674792 meV Im[Sigma]= 1349.595031 meV Z= 0.845718 lam= 0.182427 E( 3 )= -2.0558 eV Re[Sigma]= -1153.941680 meV Im[Sigma]= 3173.294499 meV Z= -60.017180 lam= -1.016662 E( 4 )= 3.1818 eV Re[Sigma]= 569.941910 meV Im[Sigma]= 4951.001361 meV Z= -1.379276 lam= -1.725018 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.296391 meV Im[Sigma]= 3056.927478 meV Z= -3.550741 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.926758 meV Im[Sigma]= 3549.685305 meV Z= -11.505952 lam= -1.086912 E( 4 )= 4.9592 eV Re[Sigma]= 1609.649379 meV Im[Sigma]= 1252.595317 meV Z= 1.049980 lam= -0.047601 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.552768 meV Im[Sigma]= 1844.060312 meV Z= 1.820648 lam= -0.450745 E( 3 )= 4.2119 eV Re[Sigma]= 540.825074 meV Im[Sigma]= 3677.598942 meV Z= -5.468202 lam= -1.182875 E( 4 )= 4.6034 eV Re[Sigma]= 1154.237755 meV Im[Sigma]= 3002.288636 meV Z= -12.344744 lam= -1.081006 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 80.829361 meV Im[Sigma]= 1617.735819 meV Z= 1.073441 lam= -0.068416 E( 3 )= 3.9714 eV Re[Sigma]= 600.863443 meV Im[Sigma]= 3869.375110 meV Z= -6.543501 lam= -1.152823 E( 4 )= 6.2108 eV Re[Sigma]= 891.211245 meV Im[Sigma]= 180.872477 meV Z= 0.872674 lam= 0.145903 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.553435 meV Im[Sigma]= 1844.068791 meV Z= 1.820662 lam= -0.450749 E( 3 )= 4.2119 eV Re[Sigma]= 540.824531 meV Im[Sigma]= 3677.596941 meV Z= -5.468125 lam= -1.182878 E( 4 )= 4.6034 eV Re[Sigma]= 1154.240866 meV Im[Sigma]= 3002.296960 meV Z= -12.344375 lam= -1.081009 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702902 meV Im[Sigma]= 2289.070687 meV Z= 6.509005 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208473 meV Im[Sigma]= 3020.169599 meV Z= 3.482571 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750339 meV Im[Sigma]= 4819.993998 meV Z= -1.155806 lam= -1.865197 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735198 meV Im[Sigma]= 2755.868206 meV Z= -17.913447 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042477 meV Im[Sigma]= 2999.572841 meV Z= 3.506642 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397014 meV Im[Sigma]= 4268.784180 meV Z= -3.523505 lam= -1.283808 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702939 meV Im[Sigma]= 2289.070949 meV Z= 6.509011 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208405 meV Im[Sigma]= 3020.169369 meV Z= 3.482570 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750369 meV Im[Sigma]= 4819.994225 meV Z= -1.155805 lam= -1.865198 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -0.4940 eV Re[Sigma]= -755.596938 meV Im[Sigma]= 656.198067 meV Z= 0.771793 lam= 0.295685 E( 3 )= 2.4513 eV Re[Sigma]= -339.074117 meV Im[Sigma]= 1999.740151 meV Z= 1.316110 lam= -0.240185 E( 4 )= 2.4513 eV Re[Sigma]= -339.075682 meV Im[Sigma]= 1999.739014 meV Z= 1.316109 lam= -0.240185 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.553371 meV Im[Sigma]= 1844.069040 meV Z= 1.820662 lam= -0.450749 E( 3 )= 4.2119 eV Re[Sigma]= 540.824570 meV Im[Sigma]= 3677.596972 meV Z= -5.468123 lam= -1.182878 E( 4 )= 4.6034 eV Re[Sigma]= 1154.240842 meV Im[Sigma]= 3002.297184 meV Z= -12.344358 lam= -1.081009 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1105.130992 meV Im[Sigma]= 794.124559 meV Z= 0.768190 lam= 0.301761 E( 3 )= 5.4492 eV Re[Sigma]= 1633.210857 meV Im[Sigma]= 1072.182963 meV Z= 0.952784 lam= 0.049555 E( 4 )= 5.4492 eV Re[Sigma]= 1633.210795 meV Im[Sigma]= 1072.182914 meV Z= 0.952784 lam= 0.049555 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.295050 meV Im[Sigma]= 3056.927136 meV Z= -3.550736 lam= -1.281632 E( 3 )= 2.5061 eV Re[Sigma]= 119.925212 meV Im[Sigma]= 3549.677400 meV Z= -11.506326 lam= -1.086909 E( 4 )= 4.9592 eV Re[Sigma]= 1609.656269 meV Im[Sigma]= 1252.595477 meV Z= 1.049978 lam= -0.047599 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -799.674618 meV Im[Sigma]= 1349.594782 meV Z= 0.845718 lam= 0.182427 E( 3 )= -2.0558 eV Re[Sigma]= -1153.941566 meV Im[Sigma]= 3173.294227 meV Z= -60.017680 lam= -1.016662 E( 4 )= 3.1818 eV Re[Sigma]= 569.942233 meV Im[Sigma]= 4951.001940 meV Z= -1.379276 lam= -1.725018 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.360082 meV Im[Sigma]= 2070.924552 meV Z= 3.776092 lam= -0.735176 E( 3 )= 0.4945 eV Re[Sigma]= -149.268056 meV Im[Sigma]= 3309.691938 meV Z= 9.313368 lam= -0.892627 E( 4 )= 1.9112 eV Re[Sigma]= -359.013774 meV Im[Sigma]= 2511.097566 meV Z= 1.584360 lam= -0.368830 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.362669 meV Im[Sigma]= 2070.917542 meV Z= 3.776041 lam= -0.735172 E( 3 )= 0.4945 eV Re[Sigma]= -149.267537 meV Im[Sigma]= 3309.687282 meV Z= 9.313313 lam= -0.892627 E( 4 )= 1.9112 eV Re[Sigma]= -359.014231 meV Im[Sigma]= 2511.105424 meV Z= 1.584367 lam= -0.368833 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.703069 meV Im[Sigma]= 2289.070832 meV Z= 6.509010 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208212 meV Im[Sigma]= 3020.169574 meV Z= 3.482572 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750347 meV Im[Sigma]= 4819.994042 meV Z= -1.155806 lam= -1.865197 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.295109 meV Im[Sigma]= 3056.926716 meV Z= -3.550739 lam= -1.281632 E( 3 )= 2.5061 eV Re[Sigma]= 119.925435 meV Im[Sigma]= 3549.677190 meV Z= -11.506329 lam= -1.086909 E( 4 )= 4.9592 eV Re[Sigma]= 1609.656278 meV Im[Sigma]= 1252.595433 meV Z= 1.049978 lam= -0.047599 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.329845 meV Im[Sigma]= 960.664677 meV Z= 1.048928 lam= -0.046646 E( 3 )= 3.1191 eV Re[Sigma]= 522.826020 meV Im[Sigma]= 4270.611652 meV Z= -3.906237 lam= -1.256001 E( 4 )= 3.9347 eV Re[Sigma]= 1436.565625 meV Im[Sigma]= 3706.697284 meV Z= -4.739349 lam= -1.210999 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.734960 meV Im[Sigma]= 2755.867567 meV Z= -17.913543 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042560 meV Im[Sigma]= 2999.572550 meV Z= 3.506639 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.396952 meV Im[Sigma]= 4268.784170 meV Z= -3.523504 lam= -1.283808 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1330.445944 meV Im[Sigma]= 2152.010250 meV Z= 2.108741 lam= -0.525783 E( 3 )= -0.6208 eV Re[Sigma]= -223.241825 meV Im[Sigma]= 1551.141000 meV Z= 0.971848 lam= 0.028968 E( 4 )= 1.0451 eV Re[Sigma]= -79.444532 meV Im[Sigma]= 4550.614554 meV Z= -1.736232 lam= -1.575960 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -799.674793 meV Im[Sigma]= 1349.595023 meV Z= 0.845718 lam= 0.182427 E( 3 )= -2.0558 eV Re[Sigma]= -1153.941747 meV Im[Sigma]= 3173.293919 meV Z= -60.018164 lam= -1.016662 E( 4 )= 3.1818 eV Re[Sigma]= 569.941808 meV Im[Sigma]= 4951.002830 meV Z= -1.379275 lam= -1.725018 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735262 meV Im[Sigma]= 2755.867358 meV Z= -17.913593 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042827 meV Im[Sigma]= 2999.573208 meV Z= 3.506643 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397065 meV Im[Sigma]= 4268.785243 meV Z= -3.523498 lam= -1.283809 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -799.675506 meV Im[Sigma]= 1349.594936 meV Z= 0.845718 lam= 0.182427 E( 3 )= -2.0558 eV Re[Sigma]= -1153.941477 meV Im[Sigma]= 3173.293928 meV Z= -60.018133 lam= -1.016662 E( 4 )= 3.1818 eV Re[Sigma]= 569.942217 meV Im[Sigma]= 4951.001972 meV Z= -1.379276 lam= -1.725018 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735148 meV Im[Sigma]= 2755.867278 meV Z= -17.913590 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042802 meV Im[Sigma]= 2999.573357 meV Z= 3.506643 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397175 meV Im[Sigma]= 4268.785423 meV Z= -3.523498 lam= -1.283809 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -799.674738 meV Im[Sigma]= 1349.594920 meV Z= 0.845718 lam= 0.182427 E( 3 )= -2.0558 eV Re[Sigma]= -1153.941503 meV Im[Sigma]= 3173.293665 meV Z= -60.018451 lam= -1.016662 E( 4 )= 3.1818 eV Re[Sigma]= 569.941929 meV Im[Sigma]= 4951.002305 meV Z= -1.379276 lam= -1.725018 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735203 meV Im[Sigma]= 2755.868127 meV Z= -17.913452 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042902 meV Im[Sigma]= 2999.574511 meV Z= 3.506652 lam= -0.714828 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397334 meV Im[Sigma]= 4268.785991 meV Z= -3.523498 lam= -1.283809 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.296414 meV Im[Sigma]= 3056.927352 meV Z= -3.550742 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.926928 meV Im[Sigma]= 3549.686396 meV Z= -11.505904 lam= -1.086912 E( 4 )= 4.9592 eV Re[Sigma]= 1609.649761 meV Im[Sigma]= 1252.595427 meV Z= 1.049980 lam= -0.047601 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702947 meV Im[Sigma]= 2289.071132 meV Z= 6.509016 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208618 meV Im[Sigma]= 3020.169244 meV Z= 3.482568 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750491 meV Im[Sigma]= 4819.994929 meV Z= -1.155805 lam= -1.865198 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.360071 meV Im[Sigma]= 2070.924546 meV Z= 3.776092 lam= -0.735176 E( 3 )= 0.4945 eV Re[Sigma]= -149.268153 meV Im[Sigma]= 3309.692936 meV Z= 9.313401 lam= -0.892628 E( 4 )= 1.9112 eV Re[Sigma]= -359.013745 meV Im[Sigma]= 2511.097474 meV Z= 1.584360 lam= -0.368830 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1330.446244 meV Im[Sigma]= 2152.010374 meV Z= 2.108741 lam= -0.525783 E( 3 )= -0.6208 eV Re[Sigma]= -223.241948 meV Im[Sigma]= 1551.141185 meV Z= 0.971848 lam= 0.028968 E( 4 )= 1.0451 eV Re[Sigma]= -79.444491 meV Im[Sigma]= 4550.615338 meV Z= -1.736231 lam= -1.575960 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735160 meV Im[Sigma]= 2755.868279 meV Z= -17.913425 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042535 meV Im[Sigma]= 2999.573515 meV Z= 3.506645 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397919 meV Im[Sigma]= 4268.787472 meV Z= -3.523491 lam= -1.283809 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.331664 meV Im[Sigma]= 960.662162 meV Z= 1.048926 lam= -0.046644 E( 3 )= 3.1191 eV Re[Sigma]= 522.822689 meV Im[Sigma]= 4270.593429 meV Z= -3.906349 lam= -1.255993 E( 4 )= 3.9347 eV Re[Sigma]= 1436.576377 meV Im[Sigma]= 3706.714689 meV Z= -4.739201 lam= -1.211006 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -6.1085 eV Re[Sigma]= -1100.108855 meV Im[Sigma]= 10.956625 meV Z= 0.790482 lam= 0.265051 E( 3 )= 4.9298 eV Re[Sigma]= 1455.663697 meV Im[Sigma]= 1227.059578 meV Z= 1.100530 lam= -0.091347 E( 4 )= 4.9298 eV Re[Sigma]= 1455.663472 meV Im[Sigma]= 1227.059418 meV Z= 1.100530 lam= -0.091347 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.331768 meV Im[Sigma]= 960.662043 meV Z= 1.048926 lam= -0.046644 E( 3 )= 3.1191 eV Re[Sigma]= 522.822672 meV Im[Sigma]= 4270.592286 meV Z= -3.906356 lam= -1.255993 E( 4 )= 3.9347 eV Re[Sigma]= 1436.576157 meV Im[Sigma]= 3706.713435 meV Z= -4.739212 lam= -1.211006 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.362810 meV Im[Sigma]= 2070.917284 meV Z= 3.776038 lam= -0.735172 E( 3 )= 0.4945 eV Re[Sigma]= -149.267459 meV Im[Sigma]= 3309.687370 meV Z= 9.313321 lam= -0.892627 E( 4 )= 1.9112 eV Re[Sigma]= -359.014116 meV Im[Sigma]= 2511.105550 meV Z= 1.584367 lam= -0.368833 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.9469 eV Re[Sigma]= -1555.436445 meV Im[Sigma]= 193.991098 meV Z= 0.788707 lam= 0.267898 E( 3 )= 0.8828 eV Re[Sigma]= -116.006439 meV Im[Sigma]= 359.477762 meV Z= 0.823049 lam= 0.214995 E( 4 )= 0.8828 eV Re[Sigma]= -116.006605 meV Im[Sigma]= 359.477812 meV Z= 0.823049 lam= 0.214995 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.359890 meV Im[Sigma]= 2070.923364 meV Z= 3.776086 lam= -0.735176 E( 3 )= 0.4945 eV Re[Sigma]= -149.268314 meV Im[Sigma]= 3309.692712 meV Z= 9.313373 lam= -0.892628 E( 4 )= 1.9112 eV Re[Sigma]= -359.013958 meV Im[Sigma]= 2511.097081 meV Z= 1.584359 lam= -0.368830 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.329712 meV Im[Sigma]= 960.664433 meV Z= 1.048928 lam= -0.046646 E( 3 )= 3.1191 eV Re[Sigma]= 522.826034 meV Im[Sigma]= 4270.613355 meV Z= -3.906225 lam= -1.256002 E( 4 )= 3.9347 eV Re[Sigma]= 1436.565807 meV Im[Sigma]= 3706.697965 meV Z= -4.739348 lam= -1.210999 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.331546 meV Im[Sigma]= 960.662409 meV Z= 1.048926 lam= -0.046644 E( 3 )= 3.1191 eV Re[Sigma]= 522.822710 meV Im[Sigma]= 4270.591874 meV Z= -3.906358 lam= -1.255993 E( 4 )= 3.9347 eV Re[Sigma]= 1436.575949 meV Im[Sigma]= 3706.712828 meV Z= -4.739217 lam= -1.211005 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.296415 meV Im[Sigma]= 3056.927220 meV Z= -3.550743 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.927576 meV Im[Sigma]= 3549.684649 meV Z= -11.505968 lam= -1.086911 E( 4 )= 4.9592 eV Re[Sigma]= 1609.649388 meV Im[Sigma]= 1252.595205 meV Z= 1.049980 lam= -0.047601 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.703054 meV Im[Sigma]= 2289.070690 meV Z= 6.509006 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208164 meV Im[Sigma]= 3020.169511 meV Z= 3.482572 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750415 meV Im[Sigma]= 4819.993902 meV Z= -1.155806 lam= -1.865197 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.359847 meV Im[Sigma]= 2070.924819 meV Z= 3.776095 lam= -0.735176 E( 3 )= 0.4945 eV Re[Sigma]= -149.267740 meV Im[Sigma]= 3309.692801 meV Z= 9.313401 lam= -0.892628 E( 4 )= 1.9112 eV Re[Sigma]= -359.014073 meV Im[Sigma]= 2511.097453 meV Z= 1.584360 lam= -0.368830 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1330.445530 meV Im[Sigma]= 2152.010374 meV Z= 2.108741 lam= -0.525783 E( 3 )= -0.6208 eV Re[Sigma]= -223.241796 meV Im[Sigma]= 1551.141140 meV Z= 0.971847 lam= 0.028968 E( 4 )= 1.0451 eV Re[Sigma]= -79.444350 meV Im[Sigma]= 4550.613039 meV Z= -1.736234 lam= -1.575959 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.734920 meV Im[Sigma]= 2755.867913 meV Z= -17.913489 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042736 meV Im[Sigma]= 2999.573259 meV Z= 3.506643 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.396981 meV Im[Sigma]= 4268.784188 meV Z= -3.523507 lam= -1.283808 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.362856 meV Im[Sigma]= 2070.917438 meV Z= 3.776040 lam= -0.735172 E( 3 )= 0.4945 eV Re[Sigma]= -149.267468 meV Im[Sigma]= 3309.687114 meV Z= 9.313313 lam= -0.892627 E( 4 )= 1.9112 eV Re[Sigma]= -359.013943 meV Im[Sigma]= 2511.105261 meV Z= 1.584367 lam= -0.368833 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.703049 meV Im[Sigma]= 2289.070885 meV Z= 6.509011 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208118 meV Im[Sigma]= 3020.169478 meV Z= 3.482572 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750387 meV Im[Sigma]= 4819.993985 meV Z= -1.155806 lam= -1.865197 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.295083 meV Im[Sigma]= 3056.926775 meV Z= -3.550739 lam= -1.281632 E( 3 )= 2.5061 eV Re[Sigma]= 119.925367 meV Im[Sigma]= 3549.677090 meV Z= -11.506341 lam= -1.086909 E( 4 )= 4.9592 eV Re[Sigma]= 1609.656302 meV Im[Sigma]= 1252.595480 meV Z= 1.049978 lam= -0.047599 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.329862 meV Im[Sigma]= 960.664691 meV Z= 1.048928 lam= -0.046646 E( 3 )= 3.1191 eV Re[Sigma]= 522.826126 meV Im[Sigma]= 4270.611684 meV Z= -3.906237 lam= -1.256001 E( 4 )= 3.9347 eV Re[Sigma]= 1436.565706 meV Im[Sigma]= 3706.697768 meV Z= -4.739343 lam= -1.211000 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735015 meV Im[Sigma]= 2755.867450 meV Z= -17.913566 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042522 meV Im[Sigma]= 2999.572652 meV Z= 3.506640 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.396756 meV Im[Sigma]= 4268.784144 meV Z= -3.523503 lam= -1.283808 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1330.445746 meV Im[Sigma]= 2152.010355 meV Z= 2.108741 lam= -0.525783 E( 3 )= -0.6208 eV Re[Sigma]= -223.241824 meV Im[Sigma]= 1551.141039 meV Z= 0.971848 lam= 0.028968 E( 4 )= 1.0451 eV Re[Sigma]= -79.444512 meV Im[Sigma]= 4550.613232 meV Z= -1.736234 lam= -1.575959 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.9469 eV Re[Sigma]= -1555.436301 meV Im[Sigma]= 193.991090 meV Z= 0.788707 lam= 0.267897 E( 3 )= 0.8828 eV Re[Sigma]= -116.006575 meV Im[Sigma]= 359.477804 meV Z= 0.823049 lam= 0.214995 E( 4 )= 0.8828 eV Re[Sigma]= -116.006499 meV Im[Sigma]= 359.477790 meV Z= 0.823049 lam= 0.214995 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.359830 meV Im[Sigma]= 2070.924689 meV Z= 3.776093 lam= -0.735176 E( 3 )= 0.4945 eV Re[Sigma]= -149.267821 meV Im[Sigma]= 3309.692679 meV Z= 9.313397 lam= -0.892628 E( 4 )= 1.9112 eV Re[Sigma]= -359.014177 meV Im[Sigma]= 2511.097464 meV Z= 1.584360 lam= -0.368830 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.330062 meV Im[Sigma]= 960.664383 meV Z= 1.048928 lam= -0.046646 E( 3 )= 3.1191 eV Re[Sigma]= 522.826074 meV Im[Sigma]= 4270.611569 meV Z= -3.906239 lam= -1.256001 E( 4 )= 3.9347 eV Re[Sigma]= 1436.565751 meV Im[Sigma]= 3706.697843 meV Z= -4.739344 lam= -1.211000 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -6.1085 eV Re[Sigma]= -1100.108596 meV Im[Sigma]= 10.956623 meV Z= 0.790482 lam= 0.265051 E( 3 )= 4.9298 eV Re[Sigma]= 1455.662941 meV Im[Sigma]= 1227.058910 meV Z= 1.100530 lam= -0.091347 E( 4 )= 4.9298 eV Re[Sigma]= 1455.663257 meV Im[Sigma]= 1227.059199 meV Z= 1.100530 lam= -0.091347 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.331040 meV Im[Sigma]= 960.662047 meV Z= 1.048926 lam= -0.046644 E( 3 )= 3.1191 eV Re[Sigma]= 522.821860 meV Im[Sigma]= 4270.591348 meV Z= -3.906359 lam= -1.255993 E( 4 )= 3.9347 eV Re[Sigma]= 1436.575485 meV Im[Sigma]= 3706.712324 meV Z= -4.739223 lam= -1.211005 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.362662 meV Im[Sigma]= 2070.915422 meV Z= 3.776030 lam= -0.735172 E( 3 )= 0.4945 eV Re[Sigma]= -149.267733 meV Im[Sigma]= 3309.687089 meV Z= 9.313296 lam= -0.892627 E( 4 )= 1.9112 eV Re[Sigma]= -359.014297 meV Im[Sigma]= 2511.105074 meV Z= 1.584367 lam= -0.368833 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.359776 meV Im[Sigma]= 2070.923958 meV Z= 3.776089 lam= -0.735176 E( 3 )= 0.4945 eV Re[Sigma]= -149.268808 meV Im[Sigma]= 3309.693155 meV Z= 9.313382 lam= -0.892628 E( 4 )= 1.9112 eV Re[Sigma]= -359.013917 meV Im[Sigma]= 2511.097845 meV Z= 1.584360 lam= -0.368830 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1330.445896 meV Im[Sigma]= 2152.010477 meV Z= 2.108741 lam= -0.525783 E( 3 )= -0.6208 eV Re[Sigma]= -223.241789 meV Im[Sigma]= 1551.141133 meV Z= 0.971848 lam= 0.028968 E( 4 )= 1.0451 eV Re[Sigma]= -79.444644 meV Im[Sigma]= 4550.616037 meV Z= -1.736230 lam= -1.575961 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735366 meV Im[Sigma]= 2755.868487 meV Z= -17.913405 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042863 meV Im[Sigma]= 2999.573583 meV Z= 3.506645 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397199 meV Im[Sigma]= 4268.785605 meV Z= -3.523497 lam= -1.283809 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.331195 meV Im[Sigma]= 960.662066 meV Z= 1.048926 lam= -0.046644 E( 3 )= 3.1191 eV Re[Sigma]= 522.822421 meV Im[Sigma]= 4270.593626 meV Z= -3.906348 lam= -1.255994 E( 4 )= 3.9347 eV Re[Sigma]= 1436.575937 meV Im[Sigma]= 3706.712634 meV Z= -4.739220 lam= -1.211005 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.296062 meV Im[Sigma]= 3056.926875 meV Z= -3.550745 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.927007 meV Im[Sigma]= 3549.684875 meV Z= -11.505958 lam= -1.086911 E( 4 )= 4.9592 eV Re[Sigma]= 1609.648877 meV Im[Sigma]= 1252.595486 meV Z= 1.049981 lam= -0.047601 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702611 meV Im[Sigma]= 2289.070352 meV Z= 6.509008 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.209061 meV Im[Sigma]= 3020.169160 meV Z= 3.482565 lam= -0.712855 E( 4 )= 3.6085 eV Re[Sigma]= 924.750741 meV Im[Sigma]= 4819.995089 meV Z= -1.155805 lam= -1.865198 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.329884 meV Im[Sigma]= 960.664495 meV Z= 1.048928 lam= -0.046646 E( 3 )= 3.1191 eV Re[Sigma]= 522.826556 meV Im[Sigma]= 4270.616837 meV Z= -3.906206 lam= -1.256003 E( 4 )= 3.9347 eV Re[Sigma]= 1436.566328 meV Im[Sigma]= 3706.698798 meV Z= -4.739341 lam= -1.211000 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735298 meV Im[Sigma]= 2755.868848 meV Z= -17.913351 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042940 meV Im[Sigma]= 2999.574311 meV Z= 3.506648 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397824 meV Im[Sigma]= 4268.787081 meV Z= -3.523493 lam= -1.283809 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1330.446056 meV Im[Sigma]= 2152.010537 meV Z= 2.108741 lam= -0.525783 E( 3 )= -0.6208 eV Re[Sigma]= -223.241905 meV Im[Sigma]= 1551.141250 meV Z= 0.971848 lam= 0.028968 E( 4 )= 1.0451 eV Re[Sigma]= -79.444674 meV Im[Sigma]= 4550.615386 meV Z= -1.736231 lam= -1.575960 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.362719 meV Im[Sigma]= 2070.916277 meV Z= 3.776034 lam= -0.735172 E( 3 )= 0.4945 eV Re[Sigma]= -149.268250 meV Im[Sigma]= 3309.687825 meV Z= 9.313314 lam= -0.892627 E( 4 )= 1.9112 eV Re[Sigma]= -359.014170 meV Im[Sigma]= 2511.105682 meV Z= 1.584367 lam= -0.368833 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702709 meV Im[Sigma]= 2289.070558 meV Z= 6.509012 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208951 meV Im[Sigma]= 3020.169164 meV Z= 3.482566 lam= -0.712855 E( 4 )= 3.6085 eV Re[Sigma]= 924.751000 meV Im[Sigma]= 4819.995636 meV Z= -1.155805 lam= -1.865198 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.294981 meV Im[Sigma]= 3056.926484 meV Z= -3.550740 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.925022 meV Im[Sigma]= 3549.678912 meV Z= -11.506248 lam= -1.086909 E( 4 )= 4.9592 eV Re[Sigma]= 1609.656650 meV Im[Sigma]= 1252.595634 meV Z= 1.049978 lam= -0.047599 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1105.131142 meV Im[Sigma]= 794.124543 meV Z= 0.768190 lam= 0.301760 E( 3 )= 5.4492 eV Re[Sigma]= 1633.210612 meV Im[Sigma]= 1072.183324 meV Z= 0.952784 lam= 0.049555 E( 4 )= 5.4492 eV Re[Sigma]= 1633.210720 meV Im[Sigma]= 1072.183248 meV Z= 0.952784 lam= 0.049555 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.294996 meV Im[Sigma]= 3056.927056 meV Z= -3.550736 lam= -1.281632 E( 3 )= 2.5061 eV Re[Sigma]= 119.925160 meV Im[Sigma]= 3549.678776 meV Z= -11.506253 lam= -1.086909 E( 4 )= 4.9592 eV Re[Sigma]= 1609.656783 meV Im[Sigma]= 1252.597474 meV Z= 1.049979 lam= -0.047600 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -799.674818 meV Im[Sigma]= 1349.595242 meV Z= 0.845718 lam= 0.182427 E( 3 )= -2.0558 eV Re[Sigma]= -1153.941749 meV Im[Sigma]= 3173.294057 meV Z= -60.018203 lam= -1.016662 E( 4 )= 3.1818 eV Re[Sigma]= 569.941563 meV Im[Sigma]= 4951.005055 meV Z= -1.379273 lam= -1.725019 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.359756 meV Im[Sigma]= 2070.923618 meV Z= 3.776089 lam= -0.735176 E( 3 )= 0.4945 eV Re[Sigma]= -149.268108 meV Im[Sigma]= 3309.692674 meV Z= 9.313378 lam= -0.892628 E( 4 )= 1.9112 eV Re[Sigma]= -359.014658 meV Im[Sigma]= 2511.098131 meV Z= 1.584360 lam= -0.368830 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -0.4940 eV Re[Sigma]= -755.596130 meV Im[Sigma]= 656.198054 meV Z= 0.771793 lam= 0.295684 E( 3 )= 2.4513 eV Re[Sigma]= -339.080346 meV Im[Sigma]= 1999.737766 meV Z= 1.316108 lam= -0.240184 E( 4 )= 2.4513 eV Re[Sigma]= -339.071164 meV Im[Sigma]= 1999.743699 meV Z= 1.316111 lam= -0.240185 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.553272 meV Im[Sigma]= 1844.068410 meV Z= 1.820661 lam= -0.450749 E( 3 )= 4.2119 eV Re[Sigma]= 540.824526 meV Im[Sigma]= 3677.600276 meV Z= -5.468078 lam= -1.182880 E( 4 )= 4.6034 eV Re[Sigma]= 1154.241284 meV Im[Sigma]= 3002.296640 meV Z= -12.344437 lam= -1.081008 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.294789 meV Im[Sigma]= 3056.926682 meV Z= -3.550739 lam= -1.281632 E( 3 )= 2.5061 eV Re[Sigma]= 119.925301 meV Im[Sigma]= 3549.677663 meV Z= -11.506327 lam= -1.086909 E( 4 )= 4.9592 eV Re[Sigma]= 1609.656125 meV Im[Sigma]= 1252.595974 meV Z= 1.049978 lam= -0.047599 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.329790 meV Im[Sigma]= 960.664460 meV Z= 1.048928 lam= -0.046646 E( 3 )= 3.1191 eV Re[Sigma]= 522.826051 meV Im[Sigma]= 4270.612782 meV Z= -3.906232 lam= -1.256001 E( 4 )= 3.9347 eV Re[Sigma]= 1436.566009 meV Im[Sigma]= 3706.698238 meV Z= -4.739341 lam= -1.211000 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735325 meV Im[Sigma]= 2755.868157 meV Z= -17.913452 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042812 meV Im[Sigma]= 2999.573501 meV Z= 3.506644 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397304 meV Im[Sigma]= 4268.784825 meV Z= -3.523502 lam= -1.283809 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1330.446046 meV Im[Sigma]= 2152.010427 meV Z= 2.108741 lam= -0.525783 E( 3 )= -0.6208 eV Re[Sigma]= -223.241959 meV Im[Sigma]= 1551.141196 meV Z= 0.971848 lam= 0.028968 E( 4 )= 1.0451 eV Re[Sigma]= -79.444579 meV Im[Sigma]= 4550.615576 meV Z= -1.736230 lam= -1.575960 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.362825 meV Im[Sigma]= 2070.915977 meV Z= 3.776030 lam= -0.735172 E( 3 )= 0.4945 eV Re[Sigma]= -149.268261 meV Im[Sigma]= 3309.687631 meV Z= 9.313301 lam= -0.892627 E( 4 )= 1.9112 eV Re[Sigma]= -359.013814 meV Im[Sigma]= 2511.105118 meV Z= 1.584367 lam= -0.368833 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702506 meV Im[Sigma]= 2289.070387 meV Z= 6.509002 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.209112 meV Im[Sigma]= 3020.168958 meV Z= 3.482563 lam= -0.712855 E( 4 )= 3.6085 eV Re[Sigma]= 924.750398 meV Im[Sigma]= 4819.995397 meV Z= -1.155805 lam= -1.865198 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -799.674723 meV Im[Sigma]= 1349.594933 meV Z= 0.845718 lam= 0.182427 E( 3 )= -2.0558 eV Re[Sigma]= -1153.941684 meV Im[Sigma]= 3173.293958 meV Z= -60.018194 lam= -1.016662 E( 4 )= 3.1818 eV Re[Sigma]= 569.942030 meV Im[Sigma]= 4951.002697 meV Z= -1.379275 lam= -1.725018 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735204 meV Im[Sigma]= 2755.867210 meV Z= -17.913602 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042795 meV Im[Sigma]= 2999.573249 meV Z= 3.506642 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397111 meV Im[Sigma]= 4268.785158 meV Z= -3.523500 lam= -1.283809 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -799.675535 meV Im[Sigma]= 1349.594959 meV Z= 0.845718 lam= 0.182427 E( 3 )= -2.0558 eV Re[Sigma]= -1153.941271 meV Im[Sigma]= 3173.293680 meV Z= -60.018395 lam= -1.016662 E( 4 )= 3.1818 eV Re[Sigma]= 569.942248 meV Im[Sigma]= 4951.001918 meV Z= -1.379276 lam= -1.725018 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735235 meV Im[Sigma]= 2755.867400 meV Z= -17.913581 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042774 meV Im[Sigma]= 2999.573398 meV Z= 3.506643 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.396905 meV Im[Sigma]= 4268.784926 meV Z= -3.523499 lam= -1.283809 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -799.674766 meV Im[Sigma]= 1349.594914 meV Z= 0.845718 lam= 0.182427 E( 3 )= -2.0558 eV Re[Sigma]= -1153.941847 meV Im[Sigma]= 3173.294291 meV Z= -60.017491 lam= -1.016662 E( 4 )= 3.1818 eV Re[Sigma]= 569.942011 meV Im[Sigma]= 4951.001914 meV Z= -1.379276 lam= -1.725018 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735234 meV Im[Sigma]= 2755.868264 meV Z= -17.913432 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042910 meV Im[Sigma]= 2999.574459 meV Z= 3.506651 lam= -0.714828 E( 4 )= 2.6144 eV Re[Sigma]= 1167.396883 meV Im[Sigma]= 4268.784825 meV Z= -3.523505 lam= -1.283808 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.359817 meV Im[Sigma]= 2070.923136 meV Z= 3.776085 lam= -0.735175 E( 3 )= 0.4945 eV Re[Sigma]= -149.268668 meV Im[Sigma]= 3309.692926 meV Z= 9.313391 lam= -0.892628 E( 4 )= 1.9112 eV Re[Sigma]= -359.014373 meV Im[Sigma]= 2511.098107 meV Z= 1.584360 lam= -0.368830 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1330.446056 meV Im[Sigma]= 2152.010461 meV Z= 2.108741 lam= -0.525783 E( 3 )= -0.6208 eV Re[Sigma]= -223.241991 meV Im[Sigma]= 1551.141166 meV Z= 0.971848 lam= 0.028968 E( 4 )= 1.0451 eV Re[Sigma]= -79.444692 meV Im[Sigma]= 4550.615988 meV Z= -1.736230 lam= -1.575961 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735372 meV Im[Sigma]= 2755.868503 meV Z= -17.913404 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042823 meV Im[Sigma]= 2999.573542 meV Z= 3.506645 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397207 meV Im[Sigma]= 4268.785126 meV Z= -3.523499 lam= -1.283809 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.331276 meV Im[Sigma]= 960.662150 meV Z= 1.048926 lam= -0.046644 E( 3 )= 3.1191 eV Re[Sigma]= 522.822368 meV Im[Sigma]= 4270.593242 meV Z= -3.906349 lam= -1.255993 E( 4 )= 3.9347 eV Re[Sigma]= 1436.575553 meV Im[Sigma]= 3706.712061 meV Z= -4.739225 lam= -1.211005 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.296120 meV Im[Sigma]= 3056.926646 meV Z= -3.550747 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.926983 meV Im[Sigma]= 3549.685049 meV Z= -11.505946 lam= -1.086912 E( 4 )= 4.9592 eV Re[Sigma]= 1609.648819 meV Im[Sigma]= 1252.595048 meV Z= 1.049980 lam= -0.047601 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702605 meV Im[Sigma]= 2289.070752 meV Z= 6.509022 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.209374 meV Im[Sigma]= 3020.168926 meV Z= 3.482562 lam= -0.712855 E( 4 )= 3.6085 eV Re[Sigma]= 924.750414 meV Im[Sigma]= 4819.993674 meV Z= -1.155806 lam= -1.865197 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -0.4940 eV Re[Sigma]= -755.596116 meV Im[Sigma]= 656.198055 meV Z= 0.771793 lam= 0.295684 E( 3 )= 2.4513 eV Re[Sigma]= -339.079448 meV Im[Sigma]= 1999.737652 meV Z= 1.316108 lam= -0.240184 E( 4 )= 2.4513 eV Re[Sigma]= -339.072058 meV Im[Sigma]= 1999.743766 meV Z= 1.316110 lam= -0.240185 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.362748 meV Im[Sigma]= 2070.916380 meV Z= 3.776034 lam= -0.735172 E( 3 )= 0.4945 eV Re[Sigma]= -149.267891 meV Im[Sigma]= 3309.687533 meV Z= 9.313288 lam= -0.892627 E( 4 )= 1.9112 eV Re[Sigma]= -359.014300 meV Im[Sigma]= 2511.105367 meV Z= 1.584366 lam= -0.368833 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -799.674889 meV Im[Sigma]= 1349.595224 meV Z= 0.845718 lam= 0.182427 E( 3 )= -2.0558 eV Re[Sigma]= -1153.942085 meV Im[Sigma]= 3173.294495 meV Z= -60.017363 lam= -1.016662 E( 4 )= 3.1818 eV Re[Sigma]= 569.941530 meV Im[Sigma]= 4951.004281 meV Z= -1.379274 lam= -1.725019 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.296289 meV Im[Sigma]= 3056.927182 meV Z= -3.550742 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.926980 meV Im[Sigma]= 3549.686136 meV Z= -11.505871 lam= -1.086912 E( 4 )= 4.9592 eV Re[Sigma]= 1609.649382 meV Im[Sigma]= 1252.596544 meV Z= 1.049981 lam= -0.047602 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1105.131098 meV Im[Sigma]= 794.132630 meV Z= 0.768195 lam= 0.301754 E( 3 )= 5.4492 eV Re[Sigma]= 1633.207650 meV Im[Sigma]= 1072.178419 meV Z= 0.952783 lam= 0.049557 E( 4 )= 5.4492 eV Re[Sigma]= 1633.208045 meV Im[Sigma]= 1072.179197 meV Z= 0.952783 lam= 0.049556 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.552631 meV Im[Sigma]= 1844.059009 meV Z= 1.820646 lam= -0.450745 E( 3 )= 4.2119 eV Re[Sigma]= 540.825141 meV Im[Sigma]= 3677.601699 meV Z= -5.468166 lam= -1.182877 E( 4 )= 4.6034 eV Re[Sigma]= 1154.237483 meV Im[Sigma]= 3002.288141 meV Z= -12.344787 lam= -1.081006 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.553559 meV Im[Sigma]= 1844.068631 meV Z= 1.820662 lam= -0.450749 E( 3 )= 4.2119 eV Re[Sigma]= 540.824713 meV Im[Sigma]= 3677.598607 meV Z= -5.468103 lam= -1.182879 E( 4 )= 4.6034 eV Re[Sigma]= 1154.241622 meV Im[Sigma]= 3002.299481 meV Z= -12.344253 lam= -1.081009 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702625 meV Im[Sigma]= 2289.070369 meV Z= 6.508997 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.209248 meV Im[Sigma]= 3020.169043 meV Z= 3.482564 lam= -0.712855 E( 4 )= 3.6085 eV Re[Sigma]= 924.751047 meV Im[Sigma]= 4819.997459 meV Z= -1.155804 lam= -1.865199 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735155 meV Im[Sigma]= 2755.868018 meV Z= -17.913464 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042902 meV Im[Sigma]= 2999.573765 meV Z= 3.506646 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.398133 meV Im[Sigma]= 4268.788326 meV Z= -3.523487 lam= -1.283810 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702715 meV Im[Sigma]= 2289.070641 meV Z= 6.509014 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.209365 meV Im[Sigma]= 3020.168885 meV Z= 3.482562 lam= -0.712855 E( 4 )= 3.6085 eV Re[Sigma]= 924.750934 meV Im[Sigma]= 4819.995433 meV Z= -1.155805 lam= -1.865198 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.552824 meV Im[Sigma]= 1844.059399 meV Z= 1.820647 lam= -0.450745 E( 3 )= 4.2119 eV Re[Sigma]= 540.825403 meV Im[Sigma]= 3677.599727 meV Z= -5.468195 lam= -1.182876 E( 4 )= 4.6034 eV Re[Sigma]= 1154.237802 meV Im[Sigma]= 3002.291029 meV Z= -12.344597 lam= -1.081007 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 80.829507 meV Im[Sigma]= 1617.735619 meV Z= 1.073441 lam= -0.068416 E( 3 )= 3.9714 eV Re[Sigma]= 600.863319 meV Im[Sigma]= 3869.377282 meV Z= -6.543482 lam= -1.152824 E( 4 )= 6.2108 eV Re[Sigma]= 891.211304 meV Im[Sigma]= 180.872522 meV Z= 0.872674 lam= 0.145903 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 601.232559 meV Im[Sigma]= 2244.901272 meV Z= 2.846290 lam= -0.648665 E( 3 )= 6.4212 eV Re[Sigma]= 1046.409731 meV Im[Sigma]= 147.633891 meV Z= 0.831427 lam= 0.202752 E( 4 )= 6.4212 eV Re[Sigma]= 1046.409701 meV Im[Sigma]= 147.633872 meV Z= 0.831427 lam= 0.202752 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 80.829300 meV Im[Sigma]= 1617.735779 meV Z= 1.073441 lam= -0.068416 E( 3 )= 3.9714 eV Re[Sigma]= 600.863085 meV Im[Sigma]= 3869.377195 meV Z= -6.543474 lam= -1.152824 E( 4 )= 6.2108 eV Re[Sigma]= 891.211416 meV Im[Sigma]= 180.872596 meV Z= 0.872674 lam= 0.145903 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.296434 meV Im[Sigma]= 3056.927798 meV Z= -3.550739 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.926676 meV Im[Sigma]= 3549.685932 meV Z= -11.505903 lam= -1.086912 E( 4 )= 4.9592 eV Re[Sigma]= 1609.649829 meV Im[Sigma]= 1252.595507 meV Z= 1.049980 lam= -0.047601 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.329572 meV Im[Sigma]= 960.664483 meV Z= 1.048928 lam= -0.046646 E( 3 )= 3.1191 eV Re[Sigma]= 522.825905 meV Im[Sigma]= 4270.612907 meV Z= -3.906228 lam= -1.256001 E( 4 )= 3.9347 eV Re[Sigma]= 1436.566276 meV Im[Sigma]= 3706.698996 meV Z= -4.739338 lam= -1.211000 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.553209 meV Im[Sigma]= 1844.067733 meV Z= 1.820660 lam= -0.450749 E( 3 )= 4.2119 eV Re[Sigma]= 540.824735 meV Im[Sigma]= 3677.598712 meV Z= -5.468104 lam= -1.182879 E( 4 )= 4.6034 eV Re[Sigma]= 1154.240790 meV Im[Sigma]= 3002.297380 meV Z= -12.344355 lam= -1.081009 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= 4.7377 eV Re[Sigma]= 629.058415 meV Im[Sigma]= 633.297401 meV Z= 1.017012 lam= -0.016727 E( 3 )= 5.4468 eV Re[Sigma]= 1097.911214 meV Im[Sigma]= 2346.830736 meV Z= 8.365835 lam= -0.880466 E( 4 )= 5.4468 eV Re[Sigma]= 1097.918333 meV Im[Sigma]= 2346.847273 meV Z= 8.366323 lam= -0.880473 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 80.829489 meV Im[Sigma]= 1617.735973 meV Z= 1.073441 lam= -0.068417 E( 3 )= 3.9714 eV Re[Sigma]= 600.863632 meV Im[Sigma]= 3869.376318 meV Z= -6.543490 lam= -1.152824 E( 4 )= 6.2108 eV Re[Sigma]= 891.211374 meV Im[Sigma]= 180.872576 meV Z= 0.872674 lam= 0.145903 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.553490 meV Im[Sigma]= 1844.068848 meV Z= 1.820662 lam= -0.450749 E( 3 )= 4.2119 eV Re[Sigma]= 540.824607 meV Im[Sigma]= 3677.597289 meV Z= -5.468120 lam= -1.182878 E( 4 )= 4.6034 eV Re[Sigma]= 1154.240650 meV Im[Sigma]= 3002.298894 meV Z= -12.344235 lam= -1.081009 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702913 meV Im[Sigma]= 2289.071151 meV Z= 6.509015 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208634 meV Im[Sigma]= 3020.169556 meV Z= 3.482570 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750558 meV Im[Sigma]= 4819.995766 meV Z= -1.155805 lam= -1.865198 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.734996 meV Im[Sigma]= 2755.867537 meV Z= -17.913541 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042780 meV Im[Sigma]= 2999.573156 meV Z= 3.506642 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397623 meV Im[Sigma]= 4268.786107 meV Z= -3.523496 lam= -1.283809 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702709 meV Im[Sigma]= 2289.070455 meV Z= 6.509008 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208817 meV Im[Sigma]= 3020.169521 meV Z= 3.482567 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750851 meV Im[Sigma]= 4819.994820 meV Z= -1.155805 lam= -1.865198 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.552834 meV Im[Sigma]= 1844.059918 meV Z= 1.820648 lam= -0.450745 E( 3 )= 4.2119 eV Re[Sigma]= 540.825350 meV Im[Sigma]= 3677.600666 meV Z= -5.468181 lam= -1.182876 E( 4 )= 4.6034 eV Re[Sigma]= 1154.238651 meV Im[Sigma]= 3002.289166 meV Z= -12.344770 lam= -1.081006 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.296454 meV Im[Sigma]= 3056.927724 meV Z= -3.550740 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.927290 meV Im[Sigma]= 3549.686304 meV Z= -11.505893 lam= -1.086912 E( 4 )= 4.9592 eV Re[Sigma]= 1609.649633 meV Im[Sigma]= 1252.595335 meV Z= 1.049980 lam= -0.047601 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702910 meV Im[Sigma]= 2289.071174 meV Z= 6.509016 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.208547 meV Im[Sigma]= 3020.169437 meV Z= 3.482570 lam= -0.712856 E( 4 )= 3.6085 eV Re[Sigma]= 924.750519 meV Im[Sigma]= 4819.995257 meV Z= -1.155805 lam= -1.865198 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.360110 meV Im[Sigma]= 2070.924409 meV Z= 3.776091 lam= -0.735176 E( 3 )= 0.4945 eV Re[Sigma]= -149.268088 meV Im[Sigma]= 3309.693074 meV Z= 9.313408 lam= -0.892628 E( 4 )= 1.9112 eV Re[Sigma]= -359.013691 meV Im[Sigma]= 2511.097438 meV Z= 1.584360 lam= -0.368830 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1330.445836 meV Im[Sigma]= 2152.010200 meV Z= 2.108741 lam= -0.525783 E( 3 )= -0.6208 eV Re[Sigma]= -223.241706 meV Im[Sigma]= 1551.141257 meV Z= 0.971848 lam= 0.028968 E( 4 )= 1.0451 eV Re[Sigma]= -79.444349 meV Im[Sigma]= 4550.614106 meV Z= -1.736233 lam= -1.575960 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735287 meV Im[Sigma]= 2755.868577 meV Z= -17.913386 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042515 meV Im[Sigma]= 2999.573813 meV Z= 3.506647 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397551 meV Im[Sigma]= 4268.786224 meV Z= -3.523497 lam= -1.283809 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.331824 meV Im[Sigma]= 960.662272 meV Z= 1.048926 lam= -0.046644 E( 3 )= 3.1191 eV Re[Sigma]= 522.822766 meV Im[Sigma]= 4270.595238 meV Z= -3.906336 lam= -1.255994 E( 4 )= 3.9347 eV Re[Sigma]= 1436.576268 meV Im[Sigma]= 3706.713935 meV Z= -4.739209 lam= -1.211006 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.329556 meV Im[Sigma]= 960.664451 meV Z= 1.048928 lam= -0.046646 E( 3 )= 3.1191 eV Re[Sigma]= 522.826084 meV Im[Sigma]= 4270.614713 meV Z= -3.906220 lam= -1.256002 E( 4 )= 3.9347 eV Re[Sigma]= 1436.565995 meV Im[Sigma]= 3706.698698 meV Z= -4.739338 lam= -1.211000 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735190 meV Im[Sigma]= 2755.867685 meV Z= -17.913537 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.042815 meV Im[Sigma]= 2999.573433 meV Z= 3.506643 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.397769 meV Im[Sigma]= 4268.787271 meV Z= -3.523490 lam= -1.283810 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1330.445932 meV Im[Sigma]= 2152.010170 meV Z= 2.108741 lam= -0.525783 E( 3 )= -0.6208 eV Re[Sigma]= -223.241696 meV Im[Sigma]= 1551.141254 meV Z= 0.971848 lam= 0.028968 E( 4 )= 1.0451 eV Re[Sigma]= -79.444606 meV Im[Sigma]= 4550.615540 meV Z= -1.736231 lam= -1.575960 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -897.362406 meV Im[Sigma]= 2070.915936 meV Z= 3.776032 lam= -0.735172 E( 3 )= 0.4945 eV Re[Sigma]= -149.267858 meV Im[Sigma]= 3309.687922 meV Z= 9.313326 lam= -0.892627 E( 4 )= 1.9112 eV Re[Sigma]= -359.014074 meV Im[Sigma]= 2511.105071 meV Z= 1.584367 lam= -0.368833 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702583 meV Im[Sigma]= 2289.069921 meV Z= 6.508999 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.209205 meV Im[Sigma]= 3020.169331 meV Z= 3.482566 lam= -0.712855 E( 4 )= 3.6085 eV Re[Sigma]= 924.750473 meV Im[Sigma]= 4819.993785 meV Z= -1.155806 lam= -1.865197 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.294978 meV Im[Sigma]= 3056.926265 meV Z= -3.550741 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.924770 meV Im[Sigma]= 3549.679149 meV Z= -11.506237 lam= -1.086909 E( 4 )= 4.9592 eV Re[Sigma]= 1609.656347 meV Im[Sigma]= 1252.595500 meV Z= 1.049978 lam= -0.047599 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.553586 meV Im[Sigma]= 1844.068003 meV Z= 1.820661 lam= -0.450749 E( 3 )= 4.2119 eV Re[Sigma]= 540.824679 meV Im[Sigma]= 3677.598158 meV Z= -5.468111 lam= -1.182879 E( 4 )= 4.6034 eV Re[Sigma]= 1154.240932 meV Im[Sigma]= 3002.299157 meV Z= -12.344249 lam= -1.081009 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702723 meV Im[Sigma]= 2289.070463 meV Z= 6.509008 lam= -0.846367 E( 3 )= 0.9376 eV Re[Sigma]= -693.209168 meV Im[Sigma]= 3020.169275 meV Z= 3.482565 lam= -0.712855 E( 4 )= 3.6085 eV Re[Sigma]= 924.751088 meV Im[Sigma]= 4819.996425 meV Z= -1.155804 lam= -1.865198 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1444.735280 meV Im[Sigma]= 2755.868227 meV Z= -17.913438 lam= -1.055824 E( 3 )= -0.1771 eV Re[Sigma]= -1010.043073 meV Im[Sigma]= 2999.574331 meV Z= 3.506649 lam= -0.714827 E( 4 )= 2.6144 eV Re[Sigma]= 1167.398145 meV Im[Sigma]= 4268.788337 meV Z= -3.523487 lam= -1.283810 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -252.702654 meV Im[Sigma]= 2289.069691 meV Z= 6.508990 lam= -0.846366 E( 3 )= 0.9376 eV Re[Sigma]= -693.209337 meV Im[Sigma]= 3020.169446 meV Z= 3.482566 lam= -0.712855 E( 4 )= 3.6085 eV Re[Sigma]= 924.750866 meV Im[Sigma]= 4819.994748 meV Z= -1.155805 lam= -1.865197 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.552682 meV Im[Sigma]= 1844.059590 meV Z= 1.820647 lam= -0.450745 E( 3 )= 4.2119 eV Re[Sigma]= 540.825014 meV Im[Sigma]= 3677.600205 meV Z= -5.468186 lam= -1.182876 E( 4 )= 4.6034 eV Re[Sigma]= 1154.237641 meV Im[Sigma]= 3002.289420 meV Z= -12.344716 lam= -1.081006 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 80.829367 meV Im[Sigma]= 1617.735293 meV Z= 1.073441 lam= -0.068416 E( 3 )= 3.9714 eV Re[Sigma]= 600.863293 meV Im[Sigma]= 3869.377758 meV Z= -6.543476 lam= -1.152824 E( 4 )= 6.2108 eV Re[Sigma]= 891.211131 meV Im[Sigma]= 180.872475 meV Z= 0.872674 lam= 0.145903 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.7377 eV Re[Sigma]= 629.058405 meV Im[Sigma]= 633.297346 meV Z= 1.017012 lam= -0.016727 E( 3 )= 5.4468 eV Re[Sigma]= 1097.917687 meV Im[Sigma]= 2346.845841 meV Z= 8.366281 lam= -0.880473 E( 4 )= 5.4468 eV Re[Sigma]= 1097.911915 meV Im[Sigma]= 2346.832435 meV Z= 8.365886 lam= -0.880467 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -524.552613 meV Im[Sigma]= 1844.059766 meV Z= 1.820648 lam= -0.450745 E( 3 )= 4.2119 eV Re[Sigma]= 540.825396 meV Im[Sigma]= 3677.601861 meV Z= -5.468165 lam= -1.182877 E( 4 )= 4.6034 eV Re[Sigma]= 1154.238455 meV Im[Sigma]= 3002.289506 meV Z= -12.344725 lam= -1.081006 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1644.331713 meV Im[Sigma]= 960.662315 meV Z= 1.048926 lam= -0.046644 E( 3 )= 3.1191 eV Re[Sigma]= 522.822886 meV Im[Sigma]= 4270.595212 meV Z= -3.906338 lam= -1.255994 E( 4 )= 3.9347 eV Re[Sigma]= 1436.576654 meV Im[Sigma]= 3706.714415 meV Z= -4.739209 lam= -1.211006 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1043.295007 meV Im[Sigma]= 3056.926291 meV Z= -3.550741 lam= -1.281631 E( 3 )= 2.5061 eV Re[Sigma]= 119.924361 meV Im[Sigma]= 3549.678159 meV Z= -11.506305 lam= -1.086909 E( 4 )= 4.9592 eV Re[Sigma]= 1609.656300 meV Im[Sigma]= 1252.594924 meV Z= 1.049978 lam= -0.047599 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 80.829223 meV Im[Sigma]= 1617.735001 meV Z= 1.073441 lam= -0.068416 E( 3 )= 3.9714 eV Re[Sigma]= 600.863251 meV Im[Sigma]= 3869.377742 meV Z= -6.543477 lam= -1.152824 E( 4 )= 6.2108 eV Re[Sigma]= 891.211197 meV Im[Sigma]= 180.872551 meV Z= 0.872674 lam= 0.145903 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 601.232709 meV Im[Sigma]= 2244.876136 meV Z= 2.846215 lam= -0.648656 E( 3 )= 6.4212 eV Re[Sigma]= 1046.416066 meV Im[Sigma]= 147.636361 meV Z= 0.831426 lam= 0.202752 E( 4 )= 6.4212 eV Re[Sigma]= 1046.416093 meV Im[Sigma]= 147.636323 meV Z= 0.831426 lam= 0.202752 ------------------------------------------------------------------- 1 2 6.8737 0.0000 0.0000 1.0000 0.0000 2 2 4.0786 601.2327 2244.8747 2.8462 -0.6487 3 2 -2.0130 -1105.1309 794.1327 0.7682 0.3018 4 2 -6.1085 -1100.1087 10.9566 0.7905 0.2651 5 2 -2.0130 -1105.1312 794.1244 0.7682 0.3018 6 2 4.0786 601.2329 2244.9014 2.8463 -0.6487 7 2 4.0786 601.2328 2244.8747 2.8462 -0.6487 8 2 4.7377 629.0588 633.2971 1.0170 -0.0167 9 2 0.0511 -524.5528 1844.0602 1.8206 -0.4507 10 2 -4.7123 -1644.3315 960.6624 1.0489 -0.0466 11 2 -3.2806 -1043.2948 3056.9264 -3.5507 -1.2816 12 2 1.4813 80.8294 1617.7356 1.0734 -0.0684 13 2 -2.0130 -1105.1309 794.1327 0.7682 0.3018 14 2 0.0511 -524.5527 1844.0603 1.8206 -0.4507 15 2 -0.4940 -755.5970 656.1981 0.7718 0.2957 16 2 -3.3311 -897.3630 2070.9171 3.7760 -0.7352 17 2 -2.2966 -799.6746 1349.5948 0.8457 0.1824 18 2 -3.2806 -1043.2964 3056.9276 -3.5507 -1.2816 19 2 -6.1085 -1100.1087 10.9566 0.7905 0.2651 20 2 -4.7123 -1644.3316 960.6623 1.0489 -0.0466 21 2 -3.3311 -897.3627 2070.9176 3.7760 -0.7352 22 2 -4.9469 -1555.4362 193.9911 0.7887 0.2679 23 2 -3.3311 -897.3596 2070.9230 3.7761 -0.7352 24 2 -4.7123 -1644.3296 960.6644 1.0489 -0.0466 25 2 -2.0130 -1105.1312 794.1245 0.7682 0.3018 26 2 -3.2806 -1043.2948 3056.9265 -3.5507 -1.2816 27 2 -2.2966 -799.6748 1349.5951 0.8457 0.1824 28 2 -3.3311 -897.3594 2070.9242 3.7761 -0.7352 29 2 -0.4940 -755.5959 656.1978 0.7718 0.2957 30 2 0.0511 -524.5534 1844.0682 1.8207 -0.4507 31 2 4.0786 601.2326 2244.9018 2.8463 -0.6487 32 2 1.4813 80.8295 1617.7356 1.0734 -0.0684 33 2 -3.2806 -1043.2965 3056.9277 -3.5507 -1.2816 34 2 -4.7123 -1644.3298 960.6644 1.0489 -0.0466 35 2 0.0511 -524.5533 1844.0683 1.8207 -0.4507 36 2 4.7377 629.0587 633.2972 1.0170 -0.0167 37 2 4.0786 601.2328 2244.8748 2.8462 -0.6487 38 2 4.7377 629.0588 633.2971 1.0170 -0.0167 39 2 0.0511 -524.5528 1844.0602 1.8206 -0.4507 40 2 -4.7123 -1644.3318 960.6622 1.0489 -0.0466 41 2 -3.2806 -1043.2950 3056.9264 -3.5507 -1.2816 42 2 1.4813 80.8292 1617.7354 1.0734 -0.0684 43 2 4.7377 629.0588 633.2970 1.0170 -0.0167 44 2 4.0786 601.2327 2244.9003 2.8463 -0.6487 45 2 1.4813 80.8293 1617.7359 1.0734 -0.0684 46 2 -3.2806 -1043.2964 3056.9277 -3.5507 -1.2816 47 2 -4.7123 -1644.3297 960.6645 1.0489 -0.0466 48 2 0.0511 -524.5534 1844.0688 1.8207 -0.4507 49 2 0.0511 -524.5528 1844.0602 1.8206 -0.4507 50 2 1.4813 80.8293 1617.7360 1.0734 -0.0684 51 2 0.0511 -524.5534 1844.0689 1.8207 -0.4507 52 2 -1.9018 -252.7028 2289.0710 6.5090 -0.8464 53 2 -3.6549 -1444.7351 2755.8677 -17.9135 -1.0558 54 2 -1.9018 -252.7029 2289.0708 6.5090 -0.8464 55 2 -4.7123 -1644.3316 960.6624 1.0489 -0.0466 56 2 -3.2806 -1043.2964 3056.9274 -3.5507 -1.2816 57 2 -1.9018 -252.7030 2289.0710 6.5090 -0.8464 58 2 -3.3311 -897.3598 2070.9245 3.7761 -0.7352 59 2 -3.5356 -1330.4454 2152.0101 2.1087 -0.5258 60 2 -3.6549 -1444.7351 2755.8680 -17.9135 -1.0558 61 2 -3.2806 -1043.2948 3056.9263 -3.5507 -1.2816 62 2 -4.7123 -1644.3296 960.6644 1.0489 -0.0466 63 2 -3.6549 -1444.7353 2755.8677 -17.9135 -1.0558 64 2 -3.5356 -1330.4458 2152.0101 2.1087 -0.5258 65 2 -3.3311 -897.3624 2070.9160 3.7760 -0.7352 66 2 -1.9018 -252.7025 2289.0699 6.5090 -0.8464 67 2 1.4813 80.8294 1617.7356 1.0734 -0.0684 68 2 0.0511 -524.5534 1844.0688 1.8207 -0.4507 69 2 -1.9018 -252.7029 2289.0710 6.5090 -0.8464 70 2 -3.6549 -1444.7354 2755.8684 -17.9134 -1.0558 71 2 -1.9018 -252.7027 2289.0698 6.5090 -0.8464 72 2 0.0511 -524.5527 1844.0596 1.8206 -0.4507 73 2 -2.0130 -1105.1308 794.1327 0.7682 0.3018 74 2 0.0511 -524.5527 1844.0603 1.8206 -0.4507 75 2 -0.4940 -755.5970 656.1981 0.7718 0.2957 76 2 -3.3311 -897.3629 2070.9173 3.7760 -0.7352 77 2 -2.2966 -799.6748 1349.5950 0.8457 0.1824 78 2 -3.2806 -1043.2964 3056.9275 -3.5507 -1.2816 79 2 0.0511 -524.5528 1844.0603 1.8206 -0.4507 80 2 1.4813 80.8294 1617.7358 1.0734 -0.0684 81 2 0.0511 -524.5534 1844.0688 1.8207 -0.4507 82 2 -1.9018 -252.7029 2289.0707 6.5090 -0.8464 83 2 -3.6549 -1444.7352 2755.8682 -17.9134 -1.0558 84 2 -1.9018 -252.7029 2289.0709 6.5090 -0.8464 85 2 -0.4940 -755.5969 656.1981 0.7718 0.2957 86 2 0.0511 -524.5534 1844.0690 1.8207 -0.4507 87 2 -2.0130 -1105.1310 794.1246 0.7682 0.3018 88 2 -3.2806 -1043.2951 3056.9271 -3.5507 -1.2816 89 2 -2.2966 -799.6746 1349.5948 0.8457 0.1824 90 2 -3.3311 -897.3601 2070.9246 3.7761 -0.7352 91 2 -3.3311 -897.3627 2070.9175 3.7760 -0.7352 92 2 -1.9018 -252.7031 2289.0708 6.5090 -0.8464 93 2 -3.2806 -1043.2951 3056.9267 -3.5507 -1.2816 94 2 -4.7123 -1644.3298 960.6647 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188 3 4.2119 540.8246 3677.5973 -5.4681 -1.1829 189 3 0.9376 -693.2086 3020.1696 3.4826 -0.7129 190 3 -0.1771 -1010.0428 2999.5732 3.5066 -0.7148 191 3 0.9376 -693.2088 3020.1695 3.4826 -0.7129 192 3 4.2119 540.8254 3677.6007 -5.4682 -1.1829 193 3 2.5061 119.9273 3549.6863 -11.5059 -1.0869 194 3 0.9376 -693.2085 3020.1694 3.4826 -0.7129 195 3 0.4945 -149.2681 3309.6931 9.3134 -0.8926 196 3 -0.6208 -223.2417 1551.1413 0.9718 0.0290 197 3 -0.1771 -1010.0425 2999.5738 3.5066 -0.7148 198 3 3.1191 522.8228 4270.5952 -3.9063 -1.2560 199 3 3.1191 522.8261 4270.6147 -3.9062 -1.2560 200 3 -0.1771 -1010.0428 2999.5734 3.5066 -0.7148 201 3 -0.6208 -223.2417 1551.1413 0.9718 0.0290 202 3 0.4945 -149.2679 3309.6879 9.3133 -0.8926 203 3 0.9376 -693.2092 3020.1693 3.4826 -0.7129 204 3 2.5061 119.9248 3549.6791 -11.5062 -1.0869 205 3 4.2119 540.8247 3677.5982 -5.4681 -1.1829 206 3 0.9376 -693.2092 3020.1693 3.4826 -0.7129 207 3 -0.1771 -1010.0431 2999.5743 3.5066 -0.7148 208 3 0.9376 -693.2093 3020.1694 3.4826 -0.7129 209 3 4.2119 540.8250 3677.6002 -5.4682 -1.1829 210 3 3.9714 600.8633 3869.3778 -6.5435 -1.1528 211 3 5.4468 1097.9177 2346.8458 8.3663 -0.8805 212 3 4.2119 540.8254 3677.6019 -5.4682 -1.1829 213 3 3.1191 522.8229 4270.5952 -3.9063 -1.2560 214 3 2.5061 119.9244 3549.6782 -11.5063 -1.0869 215 3 3.9714 600.8633 3869.3777 -6.5435 -1.1528 216 3 6.4212 1046.4161 147.6364 0.8314 0.2028 1 4 6.8737 0.0000 0.0000 1.0000 0.0000 2 4 6.4212 1046.4159 147.6363 0.8314 0.2028 3 4 5.4492 1633.2084 1072.1791 0.9528 0.0496 4 4 4.9298 1455.6631 1227.0588 1.1005 -0.0913 5 4 5.4492 1633.2102 1072.1820 0.9528 0.0496 6 4 6.4212 1046.4096 147.6339 0.8314 0.2028 7 4 6.4212 1046.4159 147.6363 0.8314 0.2028 8 4 5.4468 1097.9132 2346.8360 8.3660 -0.8805 9 4 4.6034 1154.2378 3002.2891 -12.3447 -1.0810 10 4 3.9347 1436.5760 3706.7124 -4.7392 -1.2110 11 4 4.9592 1609.6554 1252.5945 1.0500 -0.0476 12 4 6.2108 891.2111 180.8723 0.8727 0.1459 13 4 5.4492 1633.2084 1072.1790 0.9528 0.0496 14 4 4.6034 1154.2376 3002.2885 -12.3447 -1.0810 15 4 2.4513 -339.0705 1999.7426 1.3161 -0.2402 16 4 1.9112 -359.0138 2511.1050 1.5844 -0.3688 17 4 3.1818 569.9422 4951.0005 -1.3793 -1.7250 18 4 4.9592 1609.6493 1252.5953 1.0500 -0.0476 19 4 4.9298 1455.6633 1227.0593 1.1005 -0.0913 20 4 3.9347 1436.5759 3706.7130 -4.7392 -1.2110 21 4 1.9112 -359.0142 2511.1054 1.5844 -0.3688 22 4 0.8828 -116.0064 359.4778 0.8230 0.2150 23 4 1.9112 -359.0141 2511.0974 1.5844 -0.3688 24 4 3.9347 1436.5654 3706.6979 -4.7393 -1.2110 25 4 5.4492 1633.2103 1072.1830 0.9528 0.0496 26 4 4.9592 1609.6561 1252.5968 1.0500 -0.0476 27 4 3.1818 569.9416 4951.0042 -1.3793 -1.7250 28 4 1.9112 -359.0145 2511.0984 1.5844 -0.3688 29 4 2.4513 -339.0731 1999.7421 1.3161 -0.2402 30 4 4.6034 1154.2408 3002.2967 -12.3444 -1.0810 31 4 6.4212 1046.4097 147.6339 0.8314 0.2028 32 4 6.2108 891.2112 180.8725 0.8727 0.1459 33 4 4.9592 1609.6498 1252.5954 1.0500 -0.0476 34 4 3.9347 1436.5663 3706.6991 -4.7393 -1.2110 35 4 4.6034 1154.2410 3002.2978 -12.3443 -1.0810 36 4 5.4468 1097.9091 2346.8258 8.3657 -0.8805 37 4 6.4212 1046.4159 147.6363 0.8314 0.2028 38 4 5.4468 1097.9195 2346.8506 8.3664 -0.8805 39 4 4.6034 1154.2378 3002.2891 -12.3447 -1.0810 40 4 3.9347 1436.5761 3706.7127 -4.7392 -1.2110 41 4 4.9592 1609.6558 1252.5953 1.0500 -0.0476 42 4 6.2108 891.2111 180.8724 0.8727 0.1459 43 4 5.4468 1097.9122 2346.8334 8.3659 -0.8805 44 4 6.4212 1046.4095 147.6339 0.8314 0.2028 45 4 6.2108 891.2112 180.8725 0.8727 0.1459 46 4 4.9592 1609.6492 1252.5951 1.0500 -0.0476 47 4 3.9347 1436.5659 3706.6973 -4.7394 -1.2110 48 4 4.6034 1154.2408 3002.2972 -12.3444 -1.0810 49 4 4.6034 1154.2378 3002.2884 -12.3448 -1.0810 50 4 6.2108 891.2112 180.8725 0.8727 0.1459 51 4 4.6034 1154.2408 3002.2970 -12.3444 -1.0810 52 4 3.6085 924.7503 4819.9939 -1.1558 -1.8652 53 4 2.6144 1167.3970 4268.7839 -3.5235 -1.2838 54 4 3.6085 924.7504 4819.9936 -1.1558 -1.8652 55 4 3.9347 1436.5758 3706.7128 -4.7392 -1.2110 56 4 4.9592 1609.6491 1252.5950 1.0500 -0.0476 57 4 3.6085 924.7503 4819.9938 -1.1558 -1.8652 58 4 1.9112 -359.0138 2511.0972 1.5844 -0.3688 59 4 1.0451 -79.4443 4550.6131 -1.7362 -1.5760 60 4 2.6144 1167.3969 4268.7844 -3.5235 -1.2838 61 4 4.9592 1609.6560 1252.5962 1.0500 -0.0476 62 4 3.9347 1436.5657 3706.6976 -4.7393 -1.2110 63 4 2.6144 1167.3972 4268.7849 -3.5235 -1.2838 64 4 1.0451 -79.4445 4550.6157 -1.7362 -1.5760 65 4 1.9112 -359.0143 2511.1058 1.5844 -0.3688 66 4 3.6085 924.7503 4819.9941 -1.1558 -1.8652 67 4 6.2108 891.2114 180.8726 0.8727 0.1459 68 4 4.6034 1154.2407 3002.2982 -12.3443 -1.0810 69 4 3.6085 924.7507 4819.9950 -1.1558 -1.8652 70 4 2.6144 1167.3977 4268.7862 -3.5235 -1.2838 71 4 3.6085 924.7508 4819.9942 -1.1558 -1.8652 72 4 4.6034 1154.2380 3002.2884 -12.3448 -1.0810 73 4 5.4492 1633.2083 1072.1790 0.9528 0.0496 74 4 4.6034 1154.2378 3002.2889 -12.3447 -1.0810 75 4 2.4513 -339.0713 1999.7421 1.3161 -0.2402 76 4 1.9112 -359.0140 2511.1053 1.5844 -0.3688 77 4 3.1818 569.9419 4951.0014 -1.3793 -1.7250 78 4 4.9592 1609.6494 1252.5953 1.0500 -0.0476 79 4 4.6034 1154.2378 3002.2886 -12.3447 -1.0810 80 4 6.2108 891.2112 180.8725 0.8727 0.1459 81 4 4.6034 1154.2409 3002.2970 -12.3444 -1.0810 82 4 3.6085 924.7503 4819.9940 -1.1558 -1.8652 83 4 2.6144 1167.3970 4268.7842 -3.5235 -1.2838 84 4 3.6085 924.7504 4819.9942 -1.1558 -1.8652 85 4 2.4513 -339.0757 1999.7390 1.3161 -0.2402 86 4 4.6034 1154.2408 3002.2972 -12.3444 -1.0810 87 4 5.4492 1633.2108 1072.1829 0.9528 0.0496 88 4 4.9592 1609.6563 1252.5955 1.0500 -0.0476 89 4 3.1818 569.9422 4951.0019 -1.3793 -1.7250 90 4 1.9112 -359.0138 2511.0976 1.5844 -0.3688 91 4 1.9112 -359.0142 2511.1054 1.5844 -0.3688 92 4 3.6085 924.7503 4819.9940 -1.1558 -1.8652 93 4 4.9592 1609.6563 1252.5954 1.0500 -0.0476 94 4 3.9347 1436.5656 3706.6973 -4.7393 -1.2110 95 4 2.6144 1167.3970 4268.7842 -3.5235 -1.2838 96 4 1.0451 -79.4445 4550.6146 -1.7362 -1.5760 97 4 3.1818 569.9418 4951.0028 -1.3793 -1.7250 98 4 2.6144 1167.3971 4268.7852 -3.5235 -1.2838 99 4 3.1818 569.9422 4951.0020 -1.3793 -1.7250 100 4 2.6144 1167.3972 4268.7854 -3.5235 -1.2838 101 4 3.1818 569.9419 4951.0023 -1.3793 -1.7250 102 4 2.6144 1167.3973 4268.7860 -3.5235 -1.2838 103 4 4.9592 1609.6498 1252.5954 1.0500 -0.0476 104 4 3.6085 924.7505 4819.9949 -1.1558 -1.8652 105 4 1.9112 -359.0137 2511.0975 1.5844 -0.3688 106 4 1.0451 -79.4445 4550.6153 -1.7362 -1.5760 107 4 2.6144 1167.3979 4268.7875 -3.5235 -1.2838 108 4 3.9347 1436.5764 3706.7147 -4.7392 -1.2110 109 4 4.9298 1455.6635 1227.0594 1.1005 -0.0913 110 4 3.9347 1436.5762 3706.7134 -4.7392 -1.2110 111 4 1.9112 -359.0141 2511.1056 1.5844 -0.3688 112 4 0.8828 -116.0066 359.4778 0.8230 0.2150 113 4 1.9112 -359.0140 2511.0971 1.5844 -0.3688 114 4 3.9347 1436.5658 3706.6980 -4.7393 -1.2110 115 4 3.9347 1436.5759 3706.7128 -4.7392 -1.2110 116 4 4.9592 1609.6494 1252.5952 1.0500 -0.0476 117 4 3.6085 924.7504 4819.9939 -1.1558 -1.8652 118 4 1.9112 -359.0141 2511.0975 1.5844 -0.3688 119 4 1.0451 -79.4443 4550.6130 -1.7362 -1.5760 120 4 2.6144 1167.3970 4268.7842 -3.5235 -1.2838 121 4 1.9112 -359.0139 2511.1053 1.5844 -0.3688 122 4 3.6085 924.7504 4819.9940 -1.1558 -1.8652 123 4 4.9592 1609.6563 1252.5955 1.0500 -0.0476 124 4 3.9347 1436.5657 3706.6978 -4.7393 -1.2110 125 4 2.6144 1167.3968 4268.7841 -3.5235 -1.2838 126 4 1.0451 -79.4445 4550.6132 -1.7362 -1.5760 127 4 0.8828 -116.0065 359.4778 0.8230 0.2150 128 4 1.9112 -359.0142 2511.0975 1.5844 -0.3688 129 4 3.9347 1436.5658 3706.6978 -4.7393 -1.2110 130 4 4.9298 1455.6633 1227.0592 1.1005 -0.0913 131 4 3.9347 1436.5755 3706.7123 -4.7392 -1.2110 132 4 1.9112 -359.0143 2511.1051 1.5844 -0.3688 133 4 1.9112 -359.0139 2511.0978 1.5844 -0.3688 134 4 1.0451 -79.4446 4550.6160 -1.7362 -1.5760 135 4 2.6144 1167.3972 4268.7856 -3.5235 -1.2838 136 4 3.9347 1436.5759 3706.7126 -4.7392 -1.2110 137 4 4.9592 1609.6489 1252.5955 1.0500 -0.0476 138 4 3.6085 924.7507 4819.9951 -1.1558 -1.8652 139 4 3.9347 1436.5663 3706.6988 -4.7393 -1.2110 140 4 2.6144 1167.3978 4268.7871 -3.5235 -1.2838 141 4 1.0451 -79.4447 4550.6154 -1.7362 -1.5760 142 4 1.9112 -359.0142 2511.1057 1.5844 -0.3688 143 4 3.6085 924.7510 4819.9956 -1.1558 -1.8652 144 4 4.9592 1609.6566 1252.5956 1.0500 -0.0476 145 4 5.4492 1633.2107 1072.1832 0.9528 0.0496 146 4 4.9592 1609.6568 1252.5975 1.0500 -0.0476 147 4 3.1818 569.9416 4951.0051 -1.3793 -1.7250 148 4 1.9112 -359.0147 2511.0981 1.5844 -0.3688 149 4 2.4513 -339.0712 1999.7437 1.3161 -0.2402 150 4 4.6034 1154.2413 3002.2966 -12.3444 -1.0810 151 4 4.9592 1609.6561 1252.5960 1.0500 -0.0476 152 4 3.9347 1436.5660 3706.6982 -4.7393 -1.2110 153 4 2.6144 1167.3973 4268.7848 -3.5235 -1.2838 154 4 1.0451 -79.4446 4550.6156 -1.7362 -1.5760 155 4 1.9112 -359.0138 2511.1051 1.5844 -0.3688 156 4 3.6085 924.7504 4819.9954 -1.1558 -1.8652 157 4 3.1818 569.9420 4951.0027 -1.3793 -1.7250 158 4 2.6144 1167.3971 4268.7852 -3.5235 -1.2838 159 4 3.1818 569.9422 4951.0019 -1.3793 -1.7250 160 4 2.6144 1167.3969 4268.7849 -3.5235 -1.2838 161 4 3.1818 569.9420 4951.0019 -1.3793 -1.7250 162 4 2.6144 1167.3969 4268.7848 -3.5235 -1.2838 163 4 1.9112 -359.0144 2511.0981 1.5844 -0.3688 164 4 1.0451 -79.4447 4550.6160 -1.7362 -1.5760 165 4 2.6144 1167.3972 4268.7851 -3.5235 -1.2838 166 4 3.9347 1436.5756 3706.7121 -4.7392 -1.2110 167 4 4.9592 1609.6488 1252.5950 1.0500 -0.0476 168 4 3.6085 924.7504 4819.9937 -1.1558 -1.8652 169 4 2.4513 -339.0721 1999.7438 1.3161 -0.2402 170 4 1.9112 -359.0143 2511.1054 1.5844 -0.3688 171 4 3.1818 569.9415 4951.0043 -1.3793 -1.7250 172 4 4.9592 1609.6494 1252.5965 1.0500 -0.0476 173 4 5.4492 1633.2080 1072.1792 0.9528 0.0496 174 4 4.6034 1154.2375 3002.2881 -12.3448 -1.0810 175 4 4.6034 1154.2416 3002.2995 -12.3443 -1.0810 176 4 3.6085 924.7510 4819.9975 -1.1558 -1.8652 177 4 2.6144 1167.3981 4268.7883 -3.5235 -1.2838 178 4 3.6085 924.7509 4819.9954 -1.1558 -1.8652 179 4 4.6034 1154.2378 3002.2910 -12.3446 -1.0810 180 4 6.2108 891.2113 180.8725 0.8727 0.1459 181 4 6.4212 1046.4097 147.6339 0.8314 0.2028 182 4 6.2108 891.2114 180.8726 0.8727 0.1459 183 4 4.9592 1609.6498 1252.5955 1.0500 -0.0476 184 4 3.9347 1436.5663 3706.6990 -4.7393 -1.2110 185 4 4.6034 1154.2408 3002.2974 -12.3444 -1.0810 186 4 5.4468 1097.9183 2346.8473 8.3663 -0.8805 187 4 6.2108 891.2114 180.8726 0.8727 0.1459 188 4 4.6034 1154.2406 3002.2989 -12.3442 -1.0810 189 4 3.6085 924.7506 4819.9958 -1.1558 -1.8652 190 4 2.6144 1167.3976 4268.7861 -3.5235 -1.2838 191 4 3.6085 924.7509 4819.9948 -1.1558 -1.8652 192 4 4.6034 1154.2387 3002.2892 -12.3448 -1.0810 193 4 4.9592 1609.6496 1252.5953 1.0500 -0.0476 194 4 3.6085 924.7505 4819.9953 -1.1558 -1.8652 195 4 1.9112 -359.0137 2511.0974 1.5844 -0.3688 196 4 1.0451 -79.4443 4550.6141 -1.7362 -1.5760 197 4 2.6144 1167.3976 4268.7862 -3.5235 -1.2838 198 4 3.9347 1436.5763 3706.7139 -4.7392 -1.2110 199 4 3.9347 1436.5660 3706.6987 -4.7393 -1.2110 200 4 2.6144 1167.3978 4268.7873 -3.5235 -1.2838 201 4 1.0451 -79.4446 4550.6155 -1.7362 -1.5760 202 4 1.9112 -359.0141 2511.1051 1.5844 -0.3688 203 4 3.6085 924.7505 4819.9938 -1.1558 -1.8652 204 4 4.9592 1609.6563 1252.5955 1.0500 -0.0476 205 4 4.6034 1154.2409 3002.2992 -12.3442 -1.0810 206 4 3.6085 924.7511 4819.9964 -1.1558 -1.8652 207 4 2.6144 1167.3981 4268.7883 -3.5235 -1.2838 208 4 3.6085 924.7509 4819.9947 -1.1558 -1.8652 209 4 4.6034 1154.2376 3002.2894 -12.3447 -1.0810 210 4 6.2108 891.2111 180.8725 0.8727 0.1459 211 4 5.4468 1097.9119 2346.8324 8.3659 -0.8805 212 4 4.6034 1154.2385 3002.2895 -12.3447 -1.0810 213 4 3.9347 1436.5767 3706.7144 -4.7392 -1.2110 214 4 4.9592 1609.6563 1252.5949 1.0500 -0.0476 215 4 6.2108 891.2112 180.8726 0.8727 0.1459 216 4 6.4212 1046.4161 147.6363 0.8314 0.2028 =================================================================== Eliashberg Spectral Function in the Migdal Approximation =================================================================== lambda : 15.8211761 lambda_tr : 87.6690022 Estimated Allen-Dynes Tc logavg = 0.0000535 l_a2F = 15.8629656 mu = 0.10 Tc = 2.147951782032 K mu = 0.12 Tc = 2.110357539199 K mu = 0.14 Tc = 2.072315539737 K mu = 0.16 Tc = 2.033824146085 K mu = 0.18 Tc = 1.994882236233 K mu = 0.20 Tc = 1.955489262952 K a2F : 0.08s CPU 0.08s WALL ( 1 calls) Unfolding on the coarse grid elphon_wrap : 43.96s CPU 44.52s WALL ( 1 calls) INITIALIZATION: init_vloc : 0.10s CPU 0.10s WALL ( 29 calls) init_us_1 : 1.48s CPU 1.47s WALL ( 29 calls) Electron-Phonon interpolation ephwann : 1.58s CPU 1.99s WALL ( 1 calls) ep-interp : 1.35s CPU 1.38s WALL ( 216 calls) PH SELF-ENER : 0.04s CPU 0.04s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.01s WALL ( 1 calls) ep: step 1 : 0.00s CPU 0.00s WALL ( 81 calls) ep: step 2 : 0.02s CPU 0.02s WALL ( 81 calls) DynW2B : 0.00s CPU 0.00s WALL ( 216 calls) HamW2B : 0.58s CPU 0.58s WALL ( 23436 calls) ephW2Bp : 0.04s CPU 0.04s WALL ( 216 calls) Total program execution EPW : 49.03s CPU 50.04s WALL