``:oss/ `.+s+. .+ys--yh+ `./ss+. -sh//yy+` +yy +yy -+h+-oyy -yh- .oyy/.-sh. .syo-.:sy- /yh `.-.` `yh+ -oyyyo. `/syys: oys `.` `/+ssys+-` `sh+ ` oys` .:osyo` -yh- ./syyooyo` .sys+/oyo--yh/ `yy+ .-:-. `-/+/:` -sh- /yh. oys ``..---hho---------` .---------..` `.-----.` -hd+---. `./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:` +sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy` -yy/ /MMM+.`-+/``mMMy- `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs -yy+` /MMMo:-mMM+`-oo/. mMMh: `dMMN/` dMMm:`dMMMMy..MMMo-.+yo` .sys`/MMMMNNMMMs- mMMmyooooymMMNo: oMMM/sMMMMMM++MMN//oh: `sh+/MMMhyyMMMs- `-` mMMMMMMMMMNmy+-` -MMMhMMMsmMMmdMMd/yy+ `-/+++oyy-/MMM+.`/hh/.`mNm:` mMMd+/////:-.` NMMMMMd/:NMMMMMy:/yyo/:.` +os+//:-..-oMMMo:--:::-/MMMo. .-mMMd+---` hMMMMN+. oMMMMMo. `-+osyso:` syo `mNMMMMMNNNNNNNNMMMo.oNNMMMMMNNNN:` +MMMMs:` dMMMN/` ``:syo /yh` :syyyyyyyyyyyyyyyy+.`+syyyyyyyyo:` .oyys:` .oyys:` +yh -yh- ```````````````` ````````` `` `` oys -+h/------------------------::::::::://////++++++++++++++++++++++///////::::/yd: shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh` Program EPW v.4.0.0 (svn rev. 12139) starts on 1Mar2016 at 12:38:25 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 1 processors Reading data from directory: ./pb.save Info: using nr1, nr2, nr3 values from input Info: using nr1, nr2, nr3 values from input IMPORTANT: XC functional enforced from input : Exchange-correlation = PZ ( 1 1 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 703 703 211 12387 12387 2109 -- bravais-lattice index = 2 lattice parameter (a_0) = 9.2700 a.u. unit-cell volume = 199.1495 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 kinetic-energy cut-off = 60.0000 Ry charge density cut-off = 240.0000 Ry convergence threshold = 0.0E+00 beta = 0.0000 number of iterations used = 0 Exchange-correlation = PZ ( 1 1 0 0 0 0) celldm(1)= 9.27000 celldm(2)= 0.00000 celldm(3)= 0.00000 celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000 crystal axes: (cart. coord. in units of a_0) a(1) = ( -0.5000 0.0000 0.5000 ) a(2) = ( 0.0000 0.5000 0.5000 ) a(3) = ( -0.5000 0.5000 0.0000 ) reciprocal axes: (cart. coord. in units 2 pi/a_0) b(1) = ( -1.0000 -1.0000 1.0000 ) b(2) = ( 1.0000 1.0000 1.0000 ) b(3) = ( -1.0000 1.0000 -1.0000 ) Atoms inside the unit cell: Cartesian axes site n. atom mass positions (a_0 units) 1 Pb 207.2175 tau( 1) = ( 0.00000 0.00000 0.00000 ) 49 Sym.Ops. (with q -> -q+G ) G cutoff = 522.4094 ( 12387 G-vectors) FFT grid: ( 36, 36, 36) number of k points= 27 gaussian broad. (Ry)= 0.0200 ngauss = 1 cart. coord. in units 2pi/a_0 k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0740741 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 : 0.47s CPU 0.24s WALL EPW : 1.00s CPU 0.50s 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 1 pools 1 of 27 on ionode 2 of 27 on ionode 3 of 27 on ionode 4 of 27 on ionode 5 of 27 on ionode 6 of 27 on ionode 7 of 27 on ionode 8 of 27 on ionode 9 of 27 on ionode 10 of 27 on ionode 11 of 27 on ionode 12 of 27 on ionode 13 of 27 on ionode 14 of 27 on ionode 15 of 27 on ionode 16 of 27 on ionode 17 of 27 on ionode 18 of 27 on ionode 19 of 27 on ionode 20 of 27 on ionode 21 of 27 on ionode 22 of 27 on ionode 23 of 27 on ionode 24 of 27 on ionode 25 of 27 on ionode 26 of 27 on ionode 27 of 27 on ionode AMN calculated MMN k points = 27 in 1 pools 1 of 27 on ionode 2 of 27 on ionode 3 of 27 on ionode 4 of 27 on ionode 5 of 27 on ionode 6 of 27 on ionode 7 of 27 on ionode 8 of 27 on ionode 9 of 27 on ionode 10 of 27 on ionode 11 of 27 on ionode 12 of 27 on ionode 13 of 27 on ionode 14 of 27 on ionode 15 of 27 on ionode 16 of 27 on ionode 17 of 27 on ionode 18 of 27 on ionode 19 of 27 on ionode 20 of 27 on ionode 21 of 27 on ionode 22 of 27 on ionode 23 of 27 on ionode 24 of 27 on ionode 25 of 27 on ionode 26 of 27 on ionode 27 of 27 on ionode MMN calculated Running Wannier90 Wannier Function centers (cartesian, alat) and spreads (ang): ( 0.08268 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 : 19.85s CPU 9.94s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## kmaps : 5.92s CPU 2.97s 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: 432 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 : 5832 ~= 45.56 Kb (@ 8 bytes/ DP) =================================================================== Phonon (Imaginary) Self-Energy in the Migdal Approximation =================================================================== Fermi Surface thickness = 6.000000 eV Golden Rule strictly enforced with T = 0.172347 eV Gaussian Broadening: 1.000000 eV, ngauss= 1 DOS = 0.295677 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= -3.4594 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 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= -3.3774 meV lambda( 2 )= 0.210996 gamma= 0.001658 meV omega= 2.9082 meV lambda( 3 )= 0.211002 gamma= 0.001658 meV omega= 2.9082 meV lambda( tot )= 0.421999 ------------------------------------------------------------------- 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 )= 57.478680 gamma= 0.059871 meV omega= 1.0589 meV lambda( 2 )= -0.337028 gamma= -0.007099 meV omega= 4.7620 meV lambda( 3 )= -0.337028 gamma= -0.007099 meV omega= 4.7620 meV lambda( tot )= 56.804623 ------------------------------------------------------------------- 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= -3.3774 meV lambda( 2 )= 0.211002 gamma= 0.001658 meV omega= 2.9082 meV lambda( 3 )= 0.210996 gamma= 0.001658 meV omega= 2.9082 meV lambda( tot )= 0.421998 ------------------------------------------------------------------- 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= -3.4594 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 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= -3.4594 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 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= -4.7010 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.7010 meV lambda( 3 )= 1.431284 gamma= 0.027897 meV omega= 4.5807 meV lambda( tot )= 1.431284 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 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 = 10 coord.: 0.00000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.849110 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073330 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412050 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187831 ------------------------------------------------------------------- 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 )= -26.371808 gamma= -0.088620 meV omega= 1.9020 meV lambda( 2 )= 0.987201 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016853 gamma= 0.022174 meV omega= 4.8452 meV lambda( tot )= -24.367753 ------------------------------------------------------------------- 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= -4.8512 meV lambda( 2 )= -8.930903 gamma= -0.004806 meV omega= 0.7611 meV lambda( 3 )= 0.047002 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.883900 ------------------------------------------------------------------- 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= -3.3774 meV lambda( 2 )= 0.211000 gamma= 0.001658 meV omega= 2.9082 meV lambda( 3 )= 0.210999 gamma= 0.001658 meV omega= 2.9082 meV lambda( tot )= 0.421999 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074396 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074396 ------------------------------------------------------------------- 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= -5.3621 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -5.3621 meV lambda( 3 )= 0.097137 gamma= 0.006194 meV omega= 8.2855 meV lambda( tot )= 0.097137 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026954 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026954 ------------------------------------------------------------------- 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 )= 0.219263 gamma= 0.004263 meV omega= 4.5750 meV lambda( 2 )= 0.058570 gamma= 0.001625 meV omega= 5.4657 meV lambda( 3 )= 0.130990 gamma= 0.006111 meV omega= 7.0866 meV lambda( tot )= 0.408823 ------------------------------------------------------------------- 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 )= -26.371748 gamma= -0.088620 meV omega= 1.9020 meV lambda( 2 )= 0.987208 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016870 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367669 ------------------------------------------------------------------- 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 )= 57.478617 gamma= 0.059871 meV omega= 1.0589 meV lambda( 2 )= -0.337029 gamma= -0.007099 meV omega= 4.7620 meV lambda( 3 )= -0.337030 gamma= -0.007099 meV omega= 4.7620 meV lambda( tot )= 56.804559 ------------------------------------------------------------------- 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 )= -0.849109 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073319 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412049 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187839 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026955 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026955 ------------------------------------------------------------------- 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 )= 0.440138 gamma= 0.038977 meV omega= 9.7640 meV lambda( tot )= 0.440138 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026958 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026958 ------------------------------------------------------------------- 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 )= -0.849078 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073323 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412037 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187793 ------------------------------------------------------------------- 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= -3.3774 meV lambda( 2 )= 0.211001 gamma= 0.001658 meV omega= 2.9082 meV lambda( 3 )= 0.210997 gamma= 0.001658 meV omega= 2.9082 meV lambda( tot )= 0.421998 ------------------------------------------------------------------- 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 )= -26.371789 gamma= -0.088620 meV omega= 1.9020 meV lambda( 2 )= 0.987201 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016854 gamma= 0.022174 meV omega= 4.8452 meV lambda( tot )= -24.367734 ------------------------------------------------------------------- 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 )= 0.219263 gamma= 0.004263 meV omega= 4.5750 meV lambda( 2 )= 0.058570 gamma= 0.001625 meV omega= 5.4657 meV lambda( 3 )= 0.130990 gamma= 0.006111 meV omega= 7.0866 meV lambda( tot )= 0.408823 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026958 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026958 ------------------------------------------------------------------- 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= -5.3621 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -5.3621 meV lambda( 3 )= 0.097136 gamma= 0.006194 meV omega= 8.2855 meV lambda( tot )= 0.097136 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074398 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074398 ------------------------------------------------------------------- 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= -3.4594 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 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= -4.8512 meV lambda( 2 )= -8.931089 gamma= -0.004806 meV omega= 0.7611 meV lambda( 3 )= 0.046997 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.884092 ------------------------------------------------------------------- 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 )= -26.371689 gamma= -0.088619 meV omega= 1.9020 meV lambda( 2 )= 0.987208 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016870 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367611 ------------------------------------------------------------------- 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 )= -0.849084 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073338 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412037 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187783 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074398 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074398 ------------------------------------------------------------------- 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= -4.7010 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.7010 meV lambda( 3 )= 1.431279 gamma= 0.027897 meV omega= 4.5807 meV lambda( tot )= 1.431279 ------------------------------------------------------------------- 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= -3.4594 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 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= -4.7010 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.7010 meV lambda( 3 )= 1.431281 gamma= 0.027897 meV omega= 4.5807 meV lambda( tot )= 1.431281 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 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 = 40 coord.: 0.16667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= -0.849113 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073338 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412051 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187827 ------------------------------------------------------------------- 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 )= -26.371767 gamma= -0.088620 meV omega= 1.9020 meV lambda( 2 )= 0.987205 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016854 gamma= 0.022174 meV omega= 4.8452 meV lambda( tot )= -24.367708 ------------------------------------------------------------------- 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= -4.8512 meV lambda( 2 )= -8.930854 gamma= -0.004806 meV omega= 0.7611 meV lambda( 3 )= 0.047014 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.883840 ------------------------------------------------------------------- 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= -4.7010 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.7010 meV lambda( 3 )= 1.431283 gamma= 0.027897 meV omega= 4.5807 meV lambda( tot )= 1.431283 ------------------------------------------------------------------- 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= -3.4594 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 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= -4.8512 meV lambda( 2 )= -8.930838 gamma= -0.004806 meV omega= 0.7611 meV lambda( 3 )= 0.047000 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.883839 ------------------------------------------------------------------- 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 )= -26.371970 gamma= -0.088620 meV omega= 1.9020 meV lambda( 2 )= 0.987197 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016832 gamma= 0.022174 meV omega= 4.8452 meV lambda( tot )= -24.367941 ------------------------------------------------------------------- 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 )= -0.849139 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073320 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412057 gamma= -0.015259 meV omega= 6.3139 meV lambda( tot )= -1.187876 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074406 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074406 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074396 gamma= -0.002571 meV omega= 6.1000 meV lambda( tot )= -0.074396 ------------------------------------------------------------------- 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= -4.8512 meV lambda( 2 )= -8.930939 gamma= -0.004806 meV omega= 0.7611 meV lambda( 3 )= 0.047020 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.883919 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 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 = 52 coord.: 0.16667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3784 meV lambda( 2 )= 129.328968 gamma= 0.052595 meV omega= 0.6617 meV lambda( 3 )= -0.057448 gamma= -0.002923 meV omega= 7.4004 meV lambda( tot )= 129.271520 ------------------------------------------------------------------- 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 )= -2.112873 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079401 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552891 gamma= -0.022466 meV omega= 6.6139 meV lambda( tot )= -2.745165 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.336463 gamma= 0.052598 meV omega= 0.6617 meV lambda( 3 )= -0.057450 gamma= -0.002923 meV omega= 7.4004 meV lambda( tot )= 129.279013 ------------------------------------------------------------------- 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 )= -0.849074 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073329 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412040 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187785 ------------------------------------------------------------------- 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 )= -26.371788 gamma= -0.088620 meV omega= 1.9020 meV lambda( 2 )= 0.987204 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016872 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367712 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.328652 gamma= 0.052595 meV omega= 0.6617 meV lambda( 3 )= -0.057443 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.271209 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026956 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026956 ------------------------------------------------------------------- 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 )= 4.393133 gamma= 0.040521 meV omega= 3.1511 meV lambda( 2 )= -1.082792 gamma= -0.021291 meV omega= 4.6009 meV lambda( 3 )= -0.416111 gamma= -0.029178 meV omega= 8.6884 meV lambda( tot )= 2.894230 ------------------------------------------------------------------- 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 )= -2.112879 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079401 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552872 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745151 ------------------------------------------------------------------- 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 )= -26.371711 gamma= -0.088619 meV omega= 1.9020 meV lambda( 2 )= 0.987205 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016874 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367633 ------------------------------------------------------------------- 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 )= -0.849098 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073307 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412040 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187831 ------------------------------------------------------------------- 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 )= -2.112883 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079399 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552881 gamma= -0.022466 meV omega= 6.6139 meV lambda( tot )= -2.745163 ------------------------------------------------------------------- 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 )= 4.393144 gamma= 0.040521 meV omega= 3.1511 meV lambda( 2 )= -1.082798 gamma= -0.021291 meV omega= 4.6009 meV lambda( 3 )= -0.416113 gamma= -0.029178 meV omega= 8.6884 meV lambda( tot )= 2.894233 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026959 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026959 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.325325 gamma= 0.052593 meV omega= 0.6617 meV lambda( 3 )= -0.057445 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.267880 ------------------------------------------------------------------- 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= -4.8512 meV lambda( 2 )= -8.930959 gamma= -0.004806 meV omega= 0.7611 meV lambda( 3 )= 0.047036 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.883922 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 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 = 69 coord.: 0.16667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3784 meV lambda( 2 )= 129.336129 gamma= 0.052598 meV omega= 0.6617 meV lambda( 3 )= -0.057451 gamma= -0.002923 meV omega= 7.4004 meV lambda( tot )= 129.278678 ------------------------------------------------------------------- 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 )= -2.112869 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079400 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552875 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745145 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.325735 gamma= 0.052593 meV omega= 0.6617 meV lambda( 3 )= -0.057447 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.268288 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074397 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074397 ------------------------------------------------------------------- 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= -3.3774 meV lambda( 2 )= 0.210998 gamma= 0.001658 meV omega= 2.9082 meV lambda( 3 )= 0.211001 gamma= 0.001658 meV omega= 2.9082 meV lambda( tot )= 0.421999 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074398 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074398 ------------------------------------------------------------------- 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= -5.3621 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -5.3621 meV lambda( 3 )= 0.097137 gamma= 0.006194 meV omega= 8.2855 meV lambda( tot )= 0.097137 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026954 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026954 ------------------------------------------------------------------- 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 )= 0.219263 gamma= 0.004263 meV omega= 4.5750 meV lambda( 2 )= 0.058570 gamma= 0.001625 meV omega= 5.4657 meV lambda( 3 )= 0.130990 gamma= 0.006111 meV omega= 7.0866 meV lambda( tot )= 0.408822 ------------------------------------------------------------------- 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 )= -26.371702 gamma= -0.088619 meV omega= 1.9020 meV lambda( 2 )= 0.987205 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016874 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367623 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074397 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074397 ------------------------------------------------------------------- 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= -4.8512 meV lambda( 2 )= -8.931088 gamma= -0.004806 meV omega= 0.7611 meV lambda( 3 )= 0.047024 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.884064 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074397 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074397 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.327171 gamma= 0.052594 meV omega= 0.6617 meV lambda( 3 )= -0.057448 gamma= -0.002923 meV omega= 7.4004 meV lambda( tot )= 129.269723 ------------------------------------------------------------------- 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 )= -2.112877 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079400 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552890 gamma= -0.022466 meV omega= 6.6139 meV lambda( tot )= -2.745168 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.336361 gamma= 0.052598 meV omega= 0.6617 meV lambda( 3 )= -0.057450 gamma= -0.002923 meV omega= 7.4004 meV lambda( tot )= 129.278910 ------------------------------------------------------------------- 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= -5.3621 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -5.3621 meV lambda( 3 )= 0.097136 gamma= 0.006194 meV omega= 8.2855 meV lambda( tot )= 0.097136 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074398 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074398 ------------------------------------------------------------------- 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= -3.3774 meV lambda( 2 )= 0.210999 gamma= 0.001658 meV omega= 2.9082 meV lambda( 3 )= 0.211000 gamma= 0.001658 meV omega= 2.9082 meV lambda( tot )= 0.421999 ------------------------------------------------------------------- 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 )= -26.371692 gamma= -0.088619 meV omega= 1.9020 meV lambda( 2 )= 0.987209 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016871 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367612 ------------------------------------------------------------------- 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 )= 0.219266 gamma= 0.004263 meV omega= 4.5750 meV lambda( 2 )= 0.058571 gamma= 0.001625 meV omega= 5.4657 meV lambda( 3 )= 0.130984 gamma= 0.006110 meV omega= 7.0866 meV lambda( tot )= 0.408821 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026951 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026951 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026955 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026955 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.328058 gamma= 0.052594 meV omega= 0.6617 meV lambda( 3 )= -0.057443 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.270615 ------------------------------------------------------------------- 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 )= -26.371948 gamma= -0.088620 meV omega= 1.9020 meV lambda( 2 )= 0.987213 gamma= 0.018935 meV omega= 4.5440 meV lambda( 3 )= 1.016852 gamma= 0.022174 meV omega= 4.8452 meV lambda( tot )= -24.367883 ------------------------------------------------------------------- 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 )= -0.849100 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073321 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412049 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187828 ------------------------------------------------------------------- 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 )= -2.112876 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079402 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552877 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745155 ------------------------------------------------------------------- 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 )= 4.393205 gamma= 0.040522 meV omega= 3.1511 meV lambda( 2 )= -1.082802 gamma= -0.021291 meV omega= 4.6009 meV lambda( 3 )= -0.416113 gamma= -0.029178 meV omega= 8.6884 meV lambda( tot )= 2.894289 ------------------------------------------------------------------- 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 )= 0.219259 gamma= 0.004263 meV omega= 4.5750 meV lambda( 2 )= 0.058569 gamma= 0.001625 meV omega= 5.4657 meV lambda( 3 )= 0.130993 gamma= 0.006111 meV omega= 7.0866 meV lambda( tot )= 0.408822 ------------------------------------------------------------------- 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 )= -2.112882 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079395 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552872 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745150 ------------------------------------------------------------------- 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 )= 0.219273 gamma= 0.004263 meV omega= 4.5750 meV lambda( 2 )= 0.058571 gamma= 0.001625 meV omega= 5.4657 meV lambda( 3 )= 0.130992 gamma= 0.006111 meV omega= 7.0866 meV lambda( tot )= 0.408836 ------------------------------------------------------------------- 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 )= -2.112878 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079401 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552883 gamma= -0.022466 meV omega= 6.6139 meV lambda( tot )= -2.745161 ------------------------------------------------------------------- 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 )= 0.219253 gamma= 0.004263 meV omega= 4.5750 meV lambda( 2 )= 0.058568 gamma= 0.001625 meV omega= 5.4657 meV lambda( 3 )= 0.130988 gamma= 0.006111 meV omega= 7.0866 meV lambda( tot )= 0.408808 ------------------------------------------------------------------- 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 )= -2.112879 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079403 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552872 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745154 ------------------------------------------------------------------- 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 )= -26.371828 gamma= -0.088620 meV omega= 1.9020 meV lambda( 2 )= 0.987211 gamma= 0.018935 meV omega= 4.5440 meV lambda( 3 )= 1.016864 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367752 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.329885 gamma= 0.052595 meV omega= 0.6617 meV lambda( 3 )= -0.057449 gamma= -0.002923 meV omega= 7.4004 meV lambda( tot )= 129.272437 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026957 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026957 ------------------------------------------------------------------- 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 )= 4.393203 gamma= 0.040522 meV omega= 3.1511 meV lambda( 2 )= -1.082793 gamma= -0.021291 meV omega= 4.6009 meV lambda( 3 )= -0.416114 gamma= -0.029178 meV omega= 8.6884 meV lambda( tot )= 2.894296 ------------------------------------------------------------------- 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 )= -2.112881 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079404 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552872 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745157 ------------------------------------------------------------------- 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 )= -0.849054 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073345 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412038 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187747 ------------------------------------------------------------------- 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 )= 57.478722 gamma= 0.059871 meV omega= 1.0589 meV lambda( 2 )= -0.337029 gamma= -0.007099 meV omega= 4.7620 meV lambda( 3 )= -0.337027 gamma= -0.007099 meV omega= 4.7620 meV lambda( tot )= 56.804666 ------------------------------------------------------------------- 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 )= -0.849115 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073328 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412050 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187838 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026956 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026956 ------------------------------------------------------------------- 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 )= 0.440138 gamma= 0.038977 meV omega= 9.7640 meV lambda( tot )= 0.440138 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026958 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026958 ------------------------------------------------------------------- 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 )= -0.849084 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073324 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412037 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187798 ------------------------------------------------------------------- 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 )= -0.849079 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073331 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412041 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187789 ------------------------------------------------------------------- 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 )= -26.371975 gamma= -0.088620 meV omega= 1.9020 meV lambda( 2 )= 0.987198 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016839 gamma= 0.022174 meV omega= 4.8452 meV lambda( tot )= -24.367938 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.327098 gamma= 0.052594 meV omega= 0.6617 meV lambda( 3 )= -0.057442 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.269655 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026957 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026957 ------------------------------------------------------------------- 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 )= 4.393147 gamma= 0.040521 meV omega= 3.1511 meV lambda( 2 )= -1.082799 gamma= -0.021291 meV omega= 4.6009 meV lambda( 3 )= -0.416112 gamma= -0.029178 meV omega= 8.6884 meV lambda( tot )= 2.894235 ------------------------------------------------------------------- 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 )= -2.112874 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079401 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552871 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745146 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026956 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026956 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.326816 gamma= 0.052594 meV omega= 0.6617 meV lambda( 3 )= -0.057444 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.269372 ------------------------------------------------------------------- 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 )= -26.371701 gamma= -0.088619 meV omega= 1.9020 meV lambda( 2 )= 0.987206 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016873 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367622 ------------------------------------------------------------------- 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 )= -0.849091 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073345 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412039 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187785 ------------------------------------------------------------------- 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 )= -2.112878 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079401 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552872 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745151 ------------------------------------------------------------------- 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 )= 4.393200 gamma= 0.040522 meV omega= 3.1511 meV lambda( 2 )= -1.082797 gamma= -0.021291 meV omega= 4.6009 meV lambda( 3 )= -0.416114 gamma= -0.029178 meV omega= 8.6884 meV lambda( tot )= 2.894289 ------------------------------------------------------------------- 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 )= 0.440138 gamma= 0.038977 meV omega= 9.7640 meV lambda( tot )= 0.440138 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026957 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026957 ------------------------------------------------------------------- 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 )= -0.849111 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073330 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412047 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187828 ------------------------------------------------------------------- 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 )= 57.478733 gamma= 0.059871 meV omega= 1.0589 meV lambda( 2 )= -0.337028 gamma= -0.007099 meV omega= 4.7620 meV lambda( 3 )= -0.337028 gamma= -0.007099 meV omega= 4.7620 meV lambda( tot )= 56.804676 ------------------------------------------------------------------- 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 )= -0.849065 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073320 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412038 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187783 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026958 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026958 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026956 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026956 ------------------------------------------------------------------- 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 )= 4.393152 gamma= 0.040521 meV omega= 3.1511 meV lambda( 2 )= -1.082815 gamma= -0.021292 meV omega= 4.6009 meV lambda( 3 )= -0.416114 gamma= -0.029178 meV omega= 8.6884 meV lambda( tot )= 2.894223 ------------------------------------------------------------------- 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 )= -2.112877 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079401 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552882 gamma= -0.022466 meV omega= 6.6139 meV lambda( tot )= -2.745160 ------------------------------------------------------------------- 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 )= -0.849105 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073375 gamma= 0.000903 meV omega= 3.6393 meV lambda( 3 )= -0.412051 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187781 ------------------------------------------------------------------- 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 )= -26.371641 gamma= -0.088619 meV omega= 1.9020 meV lambda( 2 )= 0.987197 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016855 gamma= 0.022174 meV omega= 4.8452 meV lambda( tot )= -24.367589 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.331401 gamma= 0.052596 meV omega= 0.6617 meV lambda( 3 )= -0.057447 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.273953 ------------------------------------------------------------------- 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 )= -0.849102 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073374 gamma= 0.000903 meV omega= 3.6393 meV lambda( 3 )= -0.412043 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187771 ------------------------------------------------------------------- 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 )= -2.112877 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079400 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552877 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745154 ------------------------------------------------------------------- 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 )= 4.393195 gamma= 0.040521 meV omega= 3.1511 meV lambda( 2 )= -1.082795 gamma= -0.021291 meV omega= 4.6009 meV lambda( 3 )= -0.416115 gamma= -0.029178 meV omega= 8.6884 meV lambda( tot )= 2.894285 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026953 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026953 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.331602 gamma= 0.052596 meV omega= 0.6617 meV lambda( 3 )= -0.057447 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.274155 ------------------------------------------------------------------- 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 )= -26.371622 gamma= -0.088619 meV omega= 1.9020 meV lambda( 2 )= 0.987212 gamma= 0.018935 meV omega= 4.5440 meV lambda( 3 )= 1.016870 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367541 ------------------------------------------------------------------- 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= -3.3774 meV lambda( 2 )= 0.210998 gamma= 0.001658 meV omega= 2.9082 meV lambda( 3 )= 0.211000 gamma= 0.001658 meV omega= 2.9082 meV lambda( tot )= 0.421998 ------------------------------------------------------------------- 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 )= -26.371781 gamma= -0.088620 meV omega= 1.9020 meV lambda( 2 )= 0.987204 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016852 gamma= 0.022174 meV omega= 4.8452 meV lambda( tot )= -24.367725 ------------------------------------------------------------------- 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 )= 0.219263 gamma= 0.004263 meV omega= 4.5750 meV lambda( 2 )= 0.058570 gamma= 0.001625 meV omega= 5.4657 meV lambda( 3 )= 0.130990 gamma= 0.006111 meV omega= 7.0866 meV lambda( tot )= 0.408823 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026957 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026957 ------------------------------------------------------------------- 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= -5.3621 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -5.3621 meV lambda( 3 )= 0.097136 gamma= 0.006194 meV omega= 8.2855 meV lambda( tot )= 0.097136 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074398 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074398 ------------------------------------------------------------------- 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 )= -26.371701 gamma= -0.088619 meV omega= 1.9020 meV lambda( 2 )= 0.987204 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016871 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367625 ------------------------------------------------------------------- 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 )= -0.849125 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073319 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412055 gamma= -0.015259 meV omega= 6.3139 meV lambda( tot )= -1.187861 ------------------------------------------------------------------- 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 )= -2.112875 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079399 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552889 gamma= -0.022466 meV omega= 6.6139 meV lambda( tot )= -2.745164 ------------------------------------------------------------------- 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 )= 4.393136 gamma= 0.040521 meV omega= 3.1511 meV lambda( 2 )= -1.082799 gamma= -0.021291 meV omega= 4.6009 meV lambda( 3 )= -0.416112 gamma= -0.029178 meV omega= 8.6884 meV lambda( tot )= 2.894225 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026959 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026959 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.325227 gamma= 0.052593 meV omega= 0.6617 meV lambda( 3 )= -0.057445 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.267781 ------------------------------------------------------------------- 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 )= 0.219259 gamma= 0.004263 meV omega= 4.5750 meV lambda( 2 )= 0.058569 gamma= 0.001625 meV omega= 5.4657 meV lambda( 3 )= 0.130993 gamma= 0.006111 meV omega= 7.0866 meV lambda( tot )= 0.408821 ------------------------------------------------------------------- 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 )= -2.112877 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079398 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552883 gamma= -0.022466 meV omega= 6.6139 meV lambda( tot )= -2.745158 ------------------------------------------------------------------- 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 )= 0.219265 gamma= 0.004263 meV omega= 4.5750 meV lambda( 2 )= 0.058572 gamma= 0.001625 meV omega= 5.4657 meV lambda( 3 )= 0.130984 gamma= 0.006110 meV omega= 7.0866 meV lambda( tot )= 0.408821 ------------------------------------------------------------------- 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 )= -2.112883 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079401 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552873 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745157 ------------------------------------------------------------------- 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 )= 0.219259 gamma= 0.004263 meV omega= 4.5750 meV lambda( 2 )= 0.058569 gamma= 0.001625 meV omega= 5.4657 meV lambda( 3 )= 0.130995 gamma= 0.006111 meV omega= 7.0866 meV lambda( tot )= 0.408822 ------------------------------------------------------------------- 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 )= -2.112881 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079401 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552872 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745154 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026957 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026957 ------------------------------------------------------------------- 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 )= 4.393131 gamma= 0.040521 meV omega= 3.1511 meV lambda( 2 )= -1.082806 gamma= -0.021291 meV omega= 4.6009 meV lambda( 3 )= -0.416112 gamma= -0.029178 meV omega= 8.6884 meV lambda( tot )= 2.894213 ------------------------------------------------------------------- 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 )= -2.112875 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079401 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552876 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745152 ------------------------------------------------------------------- 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 )= -0.849065 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073325 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412039 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187779 ------------------------------------------------------------------- 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 )= -26.371712 gamma= -0.088619 meV omega= 1.9020 meV lambda( 2 )= 0.987209 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016867 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367637 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.329640 gamma= 0.052595 meV omega= 0.6617 meV lambda( 3 )= -0.057447 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.272193 ------------------------------------------------------------------- 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= -5.3621 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -5.3621 meV lambda( 3 )= 0.097136 gamma= 0.006194 meV omega= 8.2855 meV lambda( tot )= 0.097136 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026959 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026959 ------------------------------------------------------------------- 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 )= 0.219252 gamma= 0.004263 meV omega= 4.5750 meV lambda( 2 )= 0.058568 gamma= 0.001625 meV omega= 5.4657 meV lambda( 3 )= 0.130988 gamma= 0.006111 meV omega= 7.0866 meV lambda( tot )= 0.408808 ------------------------------------------------------------------- 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 )= -26.371666 gamma= -0.088619 meV omega= 1.9020 meV lambda( 2 )= 0.987197 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016854 gamma= 0.022174 meV omega= 4.8452 meV lambda( tot )= -24.367615 ------------------------------------------------------------------- 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= -3.3774 meV lambda( 2 )= 0.210999 gamma= 0.001658 meV omega= 2.9082 meV lambda( 3 )= 0.210998 gamma= 0.001658 meV omega= 2.9082 meV lambda( tot )= 0.421998 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074398 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074398 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 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 = 176 coord.: 0.66667 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3784 meV lambda( 2 )= 129.325771 gamma= 0.052594 meV omega= 0.6617 meV lambda( 3 )= -0.057447 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.268325 ------------------------------------------------------------------- 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 )= -2.112879 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079404 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552871 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745154 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.332226 gamma= 0.052596 meV omega= 0.6617 meV lambda( 3 )= -0.057447 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.274779 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 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 = 180 coord.: 0.66667 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8512 meV lambda( 2 )= -8.930866 gamma= -0.004806 meV omega= 0.7611 meV lambda( 3 )= 0.046993 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.883873 ------------------------------------------------------------------- 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= -3.4594 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 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= -4.8512 meV lambda( 2 )= -8.930975 gamma= -0.004806 meV omega= 0.7611 meV lambda( 3 )= 0.046999 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.883976 ------------------------------------------------------------------- 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 )= -26.371729 gamma= -0.088620 meV omega= 1.9020 meV lambda( 2 )= 0.987207 gamma= 0.018934 meV omega= 4.5440 meV lambda( 3 )= 1.016872 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367651 ------------------------------------------------------------------- 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 )= -0.849091 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073333 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412037 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187794 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074398 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074398 ------------------------------------------------------------------- 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= -4.7010 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.7010 meV lambda( 3 )= 1.431277 gamma= 0.027896 meV omega= 4.5807 meV lambda( tot )= 1.431277 ------------------------------------------------------------------- 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= -4.8512 meV lambda( 2 )= -8.931101 gamma= -0.004806 meV omega= 0.7611 meV lambda( 3 )= 0.047030 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.884071 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 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 = 189 coord.: 0.83333 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3784 meV lambda( 2 )= 129.337655 gamma= 0.052598 meV omega= 0.6617 meV lambda( 3 )= -0.057450 gamma= -0.002923 meV omega= 7.4004 meV lambda( tot )= 129.280205 ------------------------------------------------------------------- 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 )= -2.112871 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079402 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552877 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745150 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.325238 gamma= 0.052593 meV omega= 0.6617 meV lambda( 3 )= -0.057445 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.267793 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074398 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074398 ------------------------------------------------------------------- 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 )= -26.371867 gamma= -0.088620 meV omega= 1.9020 meV lambda( 2 )= 0.987210 gamma= 0.018935 meV omega= 4.5440 meV lambda( 3 )= 1.016862 gamma= 0.022174 meV omega= 4.8452 meV lambda( tot )= -24.367795 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.331934 gamma= 0.052596 meV omega= 0.6617 meV lambda( 3 )= -0.057448 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.274486 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026952 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026952 ------------------------------------------------------------------- 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 )= 4.393203 gamma= 0.040522 meV omega= 3.1511 meV lambda( 2 )= -1.082799 gamma= -0.021291 meV omega= 4.6009 meV lambda( 3 )= -0.416114 gamma= -0.029178 meV omega= 8.6884 meV lambda( tot )= 2.894291 ------------------------------------------------------------------- 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 )= -2.112883 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079401 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552871 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745154 ------------------------------------------------------------------- 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 )= -0.849081 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073349 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412041 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187773 ------------------------------------------------------------------- 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 )= -0.849106 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073367 gamma= 0.000903 meV omega= 3.6393 meV lambda( 3 )= -0.412043 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187782 ------------------------------------------------------------------- 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 )= -2.112879 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079400 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552878 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745157 ------------------------------------------------------------------- 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 )= 4.393204 gamma= 0.040522 meV omega= 3.1511 meV lambda( 2 )= -1.082803 gamma= -0.021291 meV omega= 4.6009 meV lambda( 3 )= -0.416114 gamma= -0.029178 meV omega= 8.6884 meV lambda( tot )= 2.894287 ------------------------------------------------------------------- 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= -2.1788 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -0.9758 meV lambda( 3 )= 0.026958 gamma= 0.001969 meV omega= 8.8681 meV lambda( tot )= 0.026958 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.329482 gamma= 0.052595 meV omega= 0.6617 meV lambda( 3 )= -0.057448 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.272035 ------------------------------------------------------------------- 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 )= -26.371669 gamma= -0.088619 meV omega= 1.9020 meV lambda( 2 )= 0.987210 gamma= 0.018935 meV omega= 4.5440 meV lambda( 3 )= 1.016874 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367585 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 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 = 206 coord.: 0.83333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -1.3784 meV lambda( 2 )= 129.325345 gamma= 0.052593 meV omega= 0.6617 meV lambda( 3 )= -0.057444 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.267901 ------------------------------------------------------------------- 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 )= -2.112883 gamma= -0.033315 meV omega= 4.1200 meV lambda( 2 )= -0.079404 gamma= -0.002973 meV omega= 6.3487 meV lambda( 3 )= -0.552872 gamma= -0.022465 meV omega= 6.6139 meV lambda( tot )= -2.745159 ------------------------------------------------------------------- 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= -1.3784 meV lambda( 2 )= 129.330248 gamma= 0.052595 meV omega= 0.6617 meV lambda( 3 )= -0.057448 gamma= -0.002922 meV omega= 7.4004 meV lambda( tot )= 129.272800 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 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 = 210 coord.: 0.83333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= -4.8512 meV lambda( 2 )= -8.931039 gamma= -0.004806 meV omega= 0.7611 meV lambda( 3 )= 0.047011 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.884028 ------------------------------------------------------------------- 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= -4.7010 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.7010 meV lambda( 3 )= 1.431279 gamma= 0.027897 meV omega= 4.5807 meV lambda( tot )= 1.431279 ------------------------------------------------------------------- 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= -4.7036 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -4.2536 meV lambda( 3 )= -0.074397 gamma= -0.002572 meV omega= 6.1000 meV lambda( tot )= -0.074397 ------------------------------------------------------------------- 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 )= -0.849040 gamma= -0.006870 meV omega= 2.9513 meV lambda( 2 )= 0.073336 gamma= 0.000902 meV omega= 3.6393 meV lambda( 3 )= -0.412037 gamma= -0.015258 meV omega= 6.3139 meV lambda( tot )= -1.187741 ------------------------------------------------------------------- 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 )= -26.371581 gamma= -0.088619 meV omega= 1.9020 meV lambda( 2 )= 0.987212 gamma= 0.018935 meV omega= 4.5440 meV lambda( 3 )= 1.016871 gamma= 0.022175 meV omega= 4.8452 meV lambda( tot )= -24.367498 ------------------------------------------------------------------- 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= -4.8512 meV lambda( 2 )= -8.931201 gamma= -0.004806 meV omega= 0.7611 meV lambda( 3 )= 0.046993 gamma= 0.000496 meV omega= 3.3700 meV lambda( tot )= -8.884208 ------------------------------------------------------------------- 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= -3.4594 meV lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 meV lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= -1.6973 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]= 604.206101 meV Im[Sigma]= 2255.819290 meV Z= 2.871850 lam= -0.651792 E( 3 )= 6.4212 eV Re[Sigma]= 1051.849046 meV Im[Sigma]= 148.144373 meV Z= 0.830620 lam= 0.203919 E( 4 )= 6.4212 eV Re[Sigma]= 1051.849106 meV Im[Sigma]= 148.144384 meV Z= 0.830620 lam= 0.203919 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1111.570209 meV Im[Sigma]= 797.887557 meV Z= 0.766909 lam= 0.303935 E( 3 )= 5.4492 eV Re[Sigma]= 1642.668492 meV Im[Sigma]= 1077.409176 meV Z= 0.951936 lam= 0.050490 E( 4 )= 5.4492 eV Re[Sigma]= 1642.668557 meV Im[Sigma]= 1077.409215 meV Z= 0.951936 lam= 0.050490 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -6.1085 eV Re[Sigma]= -1106.142854 meV Im[Sigma]= 11.014325 meV Z= 0.789534 lam= 0.266570 E( 3 )= 4.9298 eV Re[Sigma]= 1465.055518 meV Im[Sigma]= 1234.911083 meV Z= 1.101375 lam= -0.092044 E( 4 )= 4.9298 eV Re[Sigma]= 1465.055311 meV Im[Sigma]= 1234.910932 meV Z= 1.101375 lam= -0.092044 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1111.570267 meV Im[Sigma]= 797.888140 meV Z= 0.766910 lam= 0.303934 E( 3 )= 5.4492 eV Re[Sigma]= 1642.667828 meV Im[Sigma]= 1077.408252 meV Z= 0.951936 lam= 0.050491 E( 4 )= 5.4492 eV Re[Sigma]= 1642.667617 meV Im[Sigma]= 1077.407720 meV Z= 0.951936 lam= 0.050491 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 604.206307 meV Im[Sigma]= 2255.818126 meV Z= 2.871846 lam= -0.651792 E( 3 )= 6.4212 eV Re[Sigma]= 1051.849586 meV Im[Sigma]= 148.144604 meV Z= 0.830620 lam= 0.203920 E( 4 )= 6.4212 eV Re[Sigma]= 1051.849460 meV Im[Sigma]= 148.144609 meV Z= 0.830620 lam= 0.203919 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 604.206157 meV Im[Sigma]= 2255.819232 meV Z= 2.871849 lam= -0.651792 E( 3 )= 6.4212 eV Re[Sigma]= 1051.849120 meV Im[Sigma]= 148.144373 meV Z= 0.830620 lam= 0.203919 E( 4 )= 6.4212 eV Re[Sigma]= 1051.849097 meV Im[Sigma]= 148.144382 meV Z= 0.830620 lam= 0.203919 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= 4.7377 eV Re[Sigma]= 632.846558 meV Im[Sigma]= 635.646773 meV Z= 1.016604 lam= -0.016333 E( 3 )= 5.4468 eV Re[Sigma]= 1103.245936 meV Im[Sigma]= 2358.004493 meV Z= 8.667286 lam= -0.884624 E( 4 )= 5.4468 eV Re[Sigma]= 1103.246380 meV Im[Sigma]= 2358.005598 meV Z= 8.667322 lam= -0.884624 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382382 meV Im[Sigma]= 1854.449091 meV Z= 1.830269 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160326 meV Im[Sigma]= 3698.082101 meV Z= -5.266388 lam= -1.189883 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543869 meV Im[Sigma]= 3018.570401 meV Z= -11.500876 lam= -1.086950 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646868 meV Im[Sigma]= 965.253711 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992449 meV Im[Sigma]= 4296.346443 meV Z= -3.784380 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814006 meV Im[Sigma]= 3728.898233 meV Z= -4.567295 lam= -1.218948 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497309 meV Im[Sigma]= 3074.406247 meV Z= -3.454434 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295701 meV Im[Sigma]= 3569.842364 meV Z= -10.656339 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.010207 meV Im[Sigma]= 1259.457964 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 82.027577 meV Im[Sigma]= 1625.701219 meV Z= 1.073790 lam= -0.068719 E( 3 )= 3.9714 eV Re[Sigma]= 602.941128 meV Im[Sigma]= 3887.178947 meV Z= -6.353123 lam= -1.157403 E( 4 )= 6.2108 eV Re[Sigma]= 896.102612 meV Im[Sigma]= 181.979709 meV Z= 0.872103 lam= 0.146654 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1111.570202 meV Im[Sigma]= 797.887561 meV Z= 0.766909 lam= 0.303935 E( 3 )= 5.4492 eV Re[Sigma]= 1642.668544 meV Im[Sigma]= 1077.409196 meV Z= 0.951936 lam= 0.050490 E( 4 )= 5.4492 eV Re[Sigma]= 1642.668462 meV Im[Sigma]= 1077.409138 meV Z= 0.951936 lam= 0.050490 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382355 meV Im[Sigma]= 1854.449258 meV Z= 1.830269 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160307 meV Im[Sigma]= 3698.082135 meV Z= -5.266386 lam= -1.189884 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543763 meV Im[Sigma]= 3018.569889 meV Z= -11.500908 lam= -1.086950 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -0.4940 eV Re[Sigma]= -759.840264 meV Im[Sigma]= 658.981457 meV Z= 0.770360 lam= 0.298094 E( 3 )= 2.4513 eV Re[Sigma]= -341.596302 meV Im[Sigma]= 2009.846344 meV Z= 1.317898 lam= -0.241216 E( 4 )= 2.4513 eV Re[Sigma]= -341.595717 meV Im[Sigma]= 2009.846614 meV Z= 1.317898 lam= -0.241216 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155504 meV Im[Sigma]= 2083.547884 meV Z= 3.845417 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802280 meV Im[Sigma]= 3326.882143 meV Z= 9.681892 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.722982 meV Im[Sigma]= 2524.349375 meV Z= 1.588803 lam= -0.370596 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -803.914040 meV Im[Sigma]= 1354.584694 meV Z= 0.844129 lam= 0.184653 E( 3 )= -2.0558 eV Re[Sigma]= -1161.024863 meV Im[Sigma]= 3194.989505 meV Z= -40.107308 lam= -1.024933 E( 4 )= 3.1818 eV Re[Sigma]= 573.071541 meV Im[Sigma]= 4982.812799 meV Z= -1.355599 lam= -1.737681 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497507 meV Im[Sigma]= 3074.406547 meV Z= -3.454432 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295782 meV Im[Sigma]= 3569.842639 meV Z= -10.656334 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011567 meV Im[Sigma]= 1259.458943 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -6.1085 eV Re[Sigma]= -1106.142774 meV Im[Sigma]= 11.014325 meV Z= 0.789534 lam= 0.266570 E( 3 )= 4.9298 eV Re[Sigma]= 1465.055470 meV Im[Sigma]= 1234.911207 meV Z= 1.101375 lam= -0.092044 E( 4 )= 4.9298 eV Re[Sigma]= 1465.055471 meV Im[Sigma]= 1234.911424 meV Z= 1.101376 lam= -0.092045 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646968 meV Im[Sigma]= 965.253669 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992273 meV Im[Sigma]= 4296.346482 meV Z= -3.784379 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.813911 meV Im[Sigma]= 3728.898755 meV Z= -4.567289 lam= -1.218948 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155287 meV Im[Sigma]= 2083.548318 meV Z= 3.845421 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802383 meV Im[Sigma]= 3326.882208 meV Z= 9.681893 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723387 meV Im[Sigma]= 2524.349738 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.9469 eV Re[Sigma]= -1564.197597 meV Im[Sigma]= 194.113058 meV Z= 0.787541 lam= 0.269774 E( 3 )= 0.8828 eV Re[Sigma]= -116.362439 meV Im[Sigma]= 360.289275 meV Z= 0.821985 lam= 0.216568 E( 4 )= 0.8828 eV Re[Sigma]= -116.362408 meV Im[Sigma]= 360.289258 meV Z= 0.821985 lam= 0.216568 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155193 meV Im[Sigma]= 2083.545694 meV Z= 3.845404 lam= -0.739949 E( 3 )= 0.4945 eV Re[Sigma]= -149.802672 meV Im[Sigma]= 3326.882098 meV Z= 9.681888 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723416 meV Im[Sigma]= 2524.350028 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646769 meV Im[Sigma]= 965.253254 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.991841 meV Im[Sigma]= 4296.345895 meV Z= -3.784383 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814181 meV Im[Sigma]= 3728.899545 meV Z= -4.567284 lam= -1.218949 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1111.570368 meV Im[Sigma]= 797.888209 meV Z= 0.766910 lam= 0.303934 E( 3 )= 5.4492 eV Re[Sigma]= 1642.667899 meV Im[Sigma]= 1077.409040 meV Z= 0.951936 lam= 0.050490 E( 4 )= 5.4492 eV Re[Sigma]= 1642.668005 meV Im[Sigma]= 1077.409040 meV Z= 0.951936 lam= 0.050490 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497324 meV Im[Sigma]= 3074.406294 meV Z= -3.454434 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295342 meV Im[Sigma]= 3569.843514 meV Z= -10.656272 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.010950 meV Im[Sigma]= 1259.460325 meV Z= 1.050264 lam= -0.047858 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -803.914189 meV Im[Sigma]= 1354.585057 meV Z= 0.844130 lam= 0.184652 E( 3 )= -2.0558 eV Re[Sigma]= -1161.025355 meV Im[Sigma]= 3194.989472 meV Z= -40.107500 lam= -1.024933 E( 4 )= 3.1818 eV Re[Sigma]= 573.070950 meV Im[Sigma]= 4982.816542 meV Z= -1.355596 lam= -1.737683 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155064 meV Im[Sigma]= 2083.546906 meV Z= 3.845413 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802770 meV Im[Sigma]= 3326.882302 meV Z= 9.681879 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723806 meV Im[Sigma]= 2524.350957 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -0.4940 eV Re[Sigma]= -759.839202 meV Im[Sigma]= 658.981159 meV Z= 0.770360 lam= 0.298094 E( 3 )= 2.4513 eV Re[Sigma]= -341.596651 meV Im[Sigma]= 2009.847361 meV Z= 1.317898 lam= -0.241216 E( 4 )= 2.4513 eV Re[Sigma]= -341.596957 meV Im[Sigma]= 2009.847174 meV Z= 1.317898 lam= -0.241216 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382320 meV Im[Sigma]= 1854.447639 meV Z= 1.830267 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160119 meV Im[Sigma]= 3698.084269 meV Z= -5.266367 lam= -1.189884 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543537 meV Im[Sigma]= 3018.569130 meV Z= -11.500971 lam= -1.086949 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 604.206042 meV Im[Sigma]= 2255.818593 meV Z= 2.871847 lam= -0.651792 E( 3 )= 6.4212 eV Re[Sigma]= 1051.849657 meV Im[Sigma]= 148.144601 meV Z= 0.830620 lam= 0.203920 E( 4 )= 6.4212 eV Re[Sigma]= 1051.849690 meV Im[Sigma]= 148.144591 meV Z= 0.830620 lam= 0.203920 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 82.027606 meV Im[Sigma]= 1625.701190 meV Z= 1.073790 lam= -0.068719 E( 3 )= 3.9714 eV Re[Sigma]= 602.940751 meV Im[Sigma]= 3887.180251 meV Z= -6.353104 lam= -1.157403 E( 4 )= 6.2108 eV Re[Sigma]= 896.102798 meV Im[Sigma]= 181.979907 meV Z= 0.872103 lam= 0.146654 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497554 meV Im[Sigma]= 3074.406693 meV Z= -3.454431 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295188 meV Im[Sigma]= 3569.843701 meV Z= -10.656288 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.012043 meV Im[Sigma]= 1259.459153 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646952 meV Im[Sigma]= 965.253233 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992259 meV Im[Sigma]= 4296.347697 meV Z= -3.784373 lam= -1.264245 E( 4 )= 3.9347 eV Re[Sigma]= 1444.815012 meV Im[Sigma]= 3728.900676 meV Z= -4.567277 lam= -1.218949 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382154 meV Im[Sigma]= 1854.447719 meV Z= 1.830267 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160376 meV Im[Sigma]= 3698.082804 meV Z= -5.266389 lam= -1.189883 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543700 meV Im[Sigma]= 3018.570106 meV Z= -11.500907 lam= -1.086950 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= 4.7377 eV Re[Sigma]= 632.846458 meV Im[Sigma]= 635.646958 meV Z= 1.016604 lam= -0.016333 E( 3 )= 5.4468 eV Re[Sigma]= 1103.246319 meV Im[Sigma]= 2358.004704 meV Z= 8.667274 lam= -0.884623 E( 4 )= 5.4468 eV Re[Sigma]= 1103.246939 meV Im[Sigma]= 2358.006600 meV Z= 8.667335 lam= -0.884624 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 604.206192 meV Im[Sigma]= 2255.819348 meV Z= 2.871850 lam= -0.651792 E( 3 )= 6.4212 eV Re[Sigma]= 1051.849045 meV Im[Sigma]= 148.144382 meV Z= 0.830620 lam= 0.203919 E( 4 )= 6.4212 eV Re[Sigma]= 1051.849109 meV Im[Sigma]= 148.144378 meV Z= 0.830620 lam= 0.203919 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= 4.7377 eV Re[Sigma]= 632.846520 meV Im[Sigma]= 635.646803 meV Z= 1.016604 lam= -0.016333 E( 3 )= 5.4468 eV Re[Sigma]= 1103.246504 meV Im[Sigma]= 2358.006127 meV Z= 8.667337 lam= -0.884624 E( 4 )= 5.4468 eV Re[Sigma]= 1103.245897 meV Im[Sigma]= 2358.004279 meV Z= 8.667277 lam= -0.884624 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382369 meV Im[Sigma]= 1854.449207 meV Z= 1.830269 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160362 meV Im[Sigma]= 3698.082076 meV Z= -5.266389 lam= -1.189883 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543946 meV Im[Sigma]= 3018.570506 meV Z= -11.500874 lam= -1.086950 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.647187 meV Im[Sigma]= 965.253494 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992407 meV Im[Sigma]= 4296.346840 meV Z= -3.784378 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814080 meV Im[Sigma]= 3728.898462 meV Z= -4.567294 lam= -1.218948 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497507 meV Im[Sigma]= 3074.406222 meV Z= -3.454434 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295556 meV Im[Sigma]= 3569.843163 meV Z= -10.656287 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.010610 meV Im[Sigma]= 1259.458825 meV Z= 1.050263 lam= -0.047858 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 82.027425 meV Im[Sigma]= 1625.700987 meV Z= 1.073790 lam= -0.068719 E( 3 )= 3.9714 eV Re[Sigma]= 602.940467 meV Im[Sigma]= 3887.179393 meV Z= -6.353116 lam= -1.157403 E( 4 )= 6.2108 eV Re[Sigma]= 896.102706 meV Im[Sigma]= 181.979775 meV Z= 0.872103 lam= 0.146654 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.7377 eV Re[Sigma]= 632.846616 meV Im[Sigma]= 635.646776 meV Z= 1.016604 lam= -0.016333 E( 3 )= 5.4468 eV Re[Sigma]= 1103.246281 meV Im[Sigma]= 2358.005249 meV Z= 8.667309 lam= -0.884624 E( 4 )= 5.4468 eV Re[Sigma]= 1103.246037 meV Im[Sigma]= 2358.004701 meV Z= 8.667292 lam= -0.884624 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 604.206182 meV Im[Sigma]= 2255.817099 meV Z= 2.871843 lam= -0.651792 E( 3 )= 6.4212 eV Re[Sigma]= 1051.849492 meV Im[Sigma]= 148.144576 meV Z= 0.830620 lam= 0.203919 E( 4 )= 6.4212 eV Re[Sigma]= 1051.849474 meV Im[Sigma]= 148.144562 meV Z= 0.830620 lam= 0.203919 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 82.027486 meV Im[Sigma]= 1625.701475 meV Z= 1.073790 lam= -0.068719 E( 3 )= 3.9714 eV Re[Sigma]= 602.940653 meV Im[Sigma]= 3887.178578 meV Z= -6.353123 lam= -1.157403 E( 4 )= 6.2108 eV Re[Sigma]= 896.102759 meV Im[Sigma]= 181.979856 meV Z= 0.872103 lam= 0.146654 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497438 meV Im[Sigma]= 3074.406902 meV Z= -3.454430 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295578 meV Im[Sigma]= 3569.842061 meV Z= -10.656349 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011440 meV Im[Sigma]= 1259.458825 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646849 meV Im[Sigma]= 965.253213 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.991726 meV Im[Sigma]= 4296.344767 meV Z= -3.784388 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814626 meV Im[Sigma]= 3728.898813 meV Z= -4.567291 lam= -1.218948 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382333 meV Im[Sigma]= 1854.448207 meV Z= 1.830268 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160564 meV Im[Sigma]= 3698.081693 meV Z= -5.266397 lam= -1.189883 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543462 meV Im[Sigma]= 3018.569360 meV Z= -11.500926 lam= -1.086950 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382383 meV Im[Sigma]= 1854.449179 meV Z= 1.830269 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160286 meV Im[Sigma]= 3698.081796 meV Z= -5.266390 lam= -1.189883 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543904 meV Im[Sigma]= 3018.569747 meV Z= -11.500920 lam= -1.086950 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 82.027493 meV Im[Sigma]= 1625.701514 meV Z= 1.073790 lam= -0.068719 E( 3 )= 3.9714 eV Re[Sigma]= 602.940669 meV Im[Sigma]= 3887.178251 meV Z= -6.353128 lam= -1.157403 E( 4 )= 6.2108 eV Re[Sigma]= 896.102773 meV Im[Sigma]= 181.979875 meV Z= 0.872103 lam= 0.146654 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382297 meV Im[Sigma]= 1854.448288 meV Z= 1.830268 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160268 meV Im[Sigma]= 3698.082256 meV Z= -5.266392 lam= -1.189883 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543560 meV Im[Sigma]= 3018.569450 meV Z= -11.500920 lam= -1.086950 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.801005 meV Im[Sigma]= 2304.096753 meV Z= 6.787426 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.642990 meV Im[Sigma]= 3035.129981 meV Z= 3.525934 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.095900 meV Im[Sigma]= 4847.928951 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802616 meV Im[Sigma]= 2770.389207 meV Z= -16.268685 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322459 meV Im[Sigma]= 3017.256756 meV Z= 3.562388 lam= -0.719289 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764528 meV Im[Sigma]= 4289.854683 meV Z= -3.454839 lam= -1.289449 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.801097 meV Im[Sigma]= 2304.096575 meV Z= 6.787423 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.642931 meV Im[Sigma]= 3035.129351 meV Z= 3.525930 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.096042 meV Im[Sigma]= 4847.928539 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646931 meV Im[Sigma]= 965.253678 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992278 meV Im[Sigma]= 4296.346677 meV Z= -3.784378 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.813834 meV Im[Sigma]= 3728.898507 meV Z= -4.567290 lam= -1.218948 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497481 meV Im[Sigma]= 3074.406521 meV Z= -3.454432 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295607 meV Im[Sigma]= 3569.842128 meV Z= -10.656343 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011377 meV Im[Sigma]= 1259.458687 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.801167 meV Im[Sigma]= 2304.096710 meV Z= 6.787426 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.642878 meV Im[Sigma]= 3035.130010 meV Z= 3.525935 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.095876 meV Im[Sigma]= 4847.929003 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155493 meV Im[Sigma]= 2083.547347 meV Z= 3.845414 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802216 meV Im[Sigma]= 3326.882218 meV Z= 9.681902 lam= -0.896715 E( 4 )= 1.9112 eV Re[Sigma]= -361.723155 meV Im[Sigma]= 2524.349784 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1338.393988 meV Im[Sigma]= 2162.604836 meV Z= 2.116756 lam= -0.527579 E( 3 )= -0.6208 eV Re[Sigma]= -223.916211 meV Im[Sigma]= 1558.102450 meV Z= 0.970607 lam= 0.030283 E( 4 )= 1.0451 eV Re[Sigma]= -79.377696 meV Im[Sigma]= 4576.584768 meV Z= -1.707371 lam= -1.585696 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802663 meV Im[Sigma]= 2770.389411 meV Z= -16.268667 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322730 meV Im[Sigma]= 3017.257599 meV Z= 3.562393 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764477 meV Im[Sigma]= 4289.855298 meV Z= -3.454836 lam= -1.289449 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497306 meV Im[Sigma]= 3074.406181 meV Z= -3.454435 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295318 meV Im[Sigma]= 3569.843050 meV Z= -10.656297 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.010833 meV Im[Sigma]= 1259.459779 meV Z= 1.050263 lam= -0.047858 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646772 meV Im[Sigma]= 965.253218 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.991858 meV Im[Sigma]= 4296.346112 meV Z= -3.784380 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814434 meV Im[Sigma]= 3728.899144 meV Z= -4.567288 lam= -1.218948 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802804 meV Im[Sigma]= 2770.389155 meV Z= -16.268701 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322900 meV Im[Sigma]= 3017.257715 meV Z= 3.562392 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764748 meV Im[Sigma]= 4289.855729 meV Z= -3.454833 lam= -1.289450 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1338.394426 meV Im[Sigma]= 2162.604971 meV Z= 2.116756 lam= -0.527579 E( 3 )= -0.6208 eV Re[Sigma]= -223.916218 meV Im[Sigma]= 1558.102500 meV Z= 0.970607 lam= 0.030283 E( 4 )= 1.0451 eV Re[Sigma]= -79.377976 meV Im[Sigma]= 4576.587423 meV Z= -1.707367 lam= -1.585697 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.154963 meV Im[Sigma]= 2083.546842 meV Z= 3.845412 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802603 meV Im[Sigma]= 3326.882750 meV Z= 9.681899 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723594 meV Im[Sigma]= 2524.350129 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.800686 meV Im[Sigma]= 2304.095493 meV Z= 6.787406 lam= -0.852668 E( 3 )= 0.9376 eV Re[Sigma]= -698.643991 meV Im[Sigma]= 3035.129343 meV Z= 3.525926 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.095954 meV Im[Sigma]= 4847.929318 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 82.027608 meV Im[Sigma]= 1625.701184 meV Z= 1.073790 lam= -0.068719 E( 3 )= 3.9714 eV Re[Sigma]= 602.940707 meV Im[Sigma]= 3887.179727 meV Z= -6.353113 lam= -1.157403 E( 4 )= 6.2108 eV Re[Sigma]= 896.102967 meV Im[Sigma]= 181.979994 meV Z= 0.872103 lam= 0.146654 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382269 meV Im[Sigma]= 1854.448257 meV Z= 1.830268 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160366 meV Im[Sigma]= 3698.082460 meV Z= -5.266388 lam= -1.189883 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543432 meV Im[Sigma]= 3018.570514 meV Z= -11.500853 lam= -1.086950 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.801075 meV Im[Sigma]= 2304.096687 meV Z= 6.787425 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.643383 meV Im[Sigma]= 3035.129561 meV Z= 3.525929 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.096267 meV Im[Sigma]= 4847.929984 meV Z= -1.140852 lam= -1.876538 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802967 meV Im[Sigma]= 2770.389938 meV Z= -16.268597 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322937 meV Im[Sigma]= 3017.258537 meV Z= 3.562399 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.765267 meV Im[Sigma]= 4289.857125 meV Z= -3.454827 lam= -1.289450 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.800818 meV Im[Sigma]= 2304.095511 meV Z= 6.787402 lam= -0.852668 E( 3 )= 0.9376 eV Re[Sigma]= -698.643937 meV Im[Sigma]= 3035.129753 meV Z= 3.525929 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.096412 meV Im[Sigma]= 4847.929288 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382296 meV Im[Sigma]= 1854.448549 meV Z= 1.830268 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160431 meV Im[Sigma]= 3698.083378 meV Z= -5.266377 lam= -1.189884 E( 4 )= 4.6034 eV Re[Sigma]= 1160.544128 meV Im[Sigma]= 3018.569721 meV Z= -11.500950 lam= -1.086949 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1111.570181 meV Im[Sigma]= 797.887566 meV Z= 0.766909 lam= 0.303935 E( 3 )= 5.4492 eV Re[Sigma]= 1642.668547 meV Im[Sigma]= 1077.409222 meV Z= 0.951936 lam= 0.050490 E( 4 )= 5.4492 eV Re[Sigma]= 1642.668501 meV Im[Sigma]= 1077.409174 meV Z= 0.951936 lam= 0.050490 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382335 meV Im[Sigma]= 1854.449263 meV Z= 1.830269 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160340 meV Im[Sigma]= 3698.082074 meV Z= -5.266388 lam= -1.189883 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543905 meV Im[Sigma]= 3018.570448 meV Z= -11.500877 lam= -1.086950 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -0.4940 eV Re[Sigma]= -759.840239 meV Im[Sigma]= 658.981447 meV Z= 0.770360 lam= 0.298094 E( 3 )= 2.4513 eV Re[Sigma]= -341.596212 meV Im[Sigma]= 2009.846403 meV Z= 1.317898 lam= -0.241216 E( 4 )= 2.4513 eV Re[Sigma]= -341.595851 meV Im[Sigma]= 2009.846650 meV Z= 1.317898 lam= -0.241216 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155462 meV Im[Sigma]= 2083.548121 meV Z= 3.845419 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802324 meV Im[Sigma]= 3326.882216 meV Z= 9.681892 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723230 meV Im[Sigma]= 2524.349619 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -803.914193 meV Im[Sigma]= 1354.584946 meV Z= 0.844129 lam= 0.184652 E( 3 )= -2.0558 eV Re[Sigma]= -1161.025067 meV Im[Sigma]= 3194.990129 meV Z= -40.106851 lam= -1.024933 E( 4 )= 3.1818 eV Re[Sigma]= 573.071223 meV Im[Sigma]= 4982.813844 meV Z= -1.355598 lam= -1.737682 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497474 meV Im[Sigma]= 3074.406640 meV Z= -3.454432 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.294943 meV Im[Sigma]= 3569.842520 meV Z= -10.656340 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011664 meV Im[Sigma]= 1259.459051 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382381 meV Im[Sigma]= 1854.449293 meV Z= 1.830269 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160296 meV Im[Sigma]= 3698.081872 meV Z= -5.266390 lam= -1.189883 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543894 meV Im[Sigma]= 3018.570027 meV Z= -11.500900 lam= -1.086950 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 82.027585 meV Im[Sigma]= 1625.701455 meV Z= 1.073790 lam= -0.068719 E( 3 )= 3.9714 eV Re[Sigma]= 602.940704 meV Im[Sigma]= 3887.178416 meV Z= -6.353123 lam= -1.157403 E( 4 )= 6.2108 eV Re[Sigma]= 896.102769 meV Im[Sigma]= 181.979846 meV Z= 0.872103 lam= 0.146654 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382333 meV Im[Sigma]= 1854.448308 meV Z= 1.830268 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160282 meV Im[Sigma]= 3698.082211 meV Z= -5.266393 lam= -1.189883 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543578 meV Im[Sigma]= 3018.569286 meV Z= -11.500928 lam= -1.086950 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.801065 meV Im[Sigma]= 2304.096473 meV Z= 6.787418 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.643044 meV Im[Sigma]= 3035.129882 meV Z= 3.525933 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.095923 meV Im[Sigma]= 4847.929058 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802751 meV Im[Sigma]= 2770.389753 meV Z= -16.268620 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322393 meV Im[Sigma]= 3017.257052 meV Z= 3.562391 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764531 meV Im[Sigma]= 4289.855098 meV Z= -3.454837 lam= -1.289449 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.801093 meV Im[Sigma]= 2304.096600 meV Z= 6.787423 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.643087 meV Im[Sigma]= 3035.129446 meV Z= 3.525931 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.095965 meV Im[Sigma]= 4847.929368 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -0.4940 eV Re[Sigma]= -759.840255 meV Im[Sigma]= 658.981451 meV Z= 0.770360 lam= 0.298094 E( 3 )= 2.4513 eV Re[Sigma]= -341.595685 meV Im[Sigma]= 2009.846665 meV Z= 1.317898 lam= -0.241216 E( 4 )= 2.4513 eV Re[Sigma]= -341.596326 meV Im[Sigma]= 2009.846308 meV Z= 1.317898 lam= -0.241216 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382264 meV Im[Sigma]= 1854.448548 meV Z= 1.830268 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160302 meV Im[Sigma]= 3698.082341 meV Z= -5.266390 lam= -1.189883 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543508 meV Im[Sigma]= 3018.569416 meV Z= -11.500920 lam= -1.086950 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1111.570156 meV Im[Sigma]= 797.888328 meV Z= 0.766910 lam= 0.303934 E( 3 )= 5.4492 eV Re[Sigma]= 1642.668401 meV Im[Sigma]= 1077.408974 meV Z= 0.951936 lam= 0.050491 E( 4 )= 5.4492 eV Re[Sigma]= 1642.668346 meV Im[Sigma]= 1077.408956 meV Z= 0.951936 lam= 0.050491 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497585 meV Im[Sigma]= 3074.407092 meV Z= -3.454429 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295651 meV Im[Sigma]= 3569.842823 meV Z= -10.656305 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011075 meV Im[Sigma]= 1259.458909 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -803.914052 meV Im[Sigma]= 1354.584763 meV Z= 0.844129 lam= 0.184652 E( 3 )= -2.0558 eV Re[Sigma]= -1161.024939 meV Im[Sigma]= 3194.989771 meV Z= -40.107171 lam= -1.024933 E( 4 )= 3.1818 eV Re[Sigma]= 573.071532 meV Im[Sigma]= 4982.814247 meV Z= -1.355598 lam= -1.737682 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155737 meV Im[Sigma]= 2083.547197 meV Z= 3.845412 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802522 meV Im[Sigma]= 3326.881180 meV Z= 9.681856 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723046 meV Im[Sigma]= 2524.350090 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155276 meV Im[Sigma]= 2083.548489 meV Z= 3.845423 lam= -0.739951 E( 3 )= 0.4945 eV Re[Sigma]= -149.802454 meV Im[Sigma]= 3326.882138 meV Z= 9.681888 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723429 meV Im[Sigma]= 2524.349663 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.801222 meV Im[Sigma]= 2304.096489 meV Z= 6.787421 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.642859 meV Im[Sigma]= 3035.129906 meV Z= 3.525934 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.095922 meV Im[Sigma]= 4847.928902 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497656 meV Im[Sigma]= 3074.406649 meV Z= -3.454432 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295671 meV Im[Sigma]= 3569.842737 meV Z= -10.656308 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011063 meV Im[Sigma]= 1259.458896 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.647079 meV Im[Sigma]= 965.253516 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992019 meV Im[Sigma]= 4296.345027 meV Z= -3.784388 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814433 meV Im[Sigma]= 3728.899004 meV Z= -4.567289 lam= -1.218948 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802519 meV Im[Sigma]= 2770.389182 meV Z= -16.268692 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322527 meV Im[Sigma]= 3017.256837 meV Z= 3.562388 lam= -0.719289 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764549 meV Im[Sigma]= 4289.855113 meV Z= -3.454836 lam= -1.289449 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1338.394550 meV Im[Sigma]= 2162.605040 meV Z= 2.116756 lam= -0.527579 E( 3 )= -0.6208 eV Re[Sigma]= -223.916303 meV Im[Sigma]= 1558.102161 meV Z= 0.970607 lam= 0.030283 E( 4 )= 1.0451 eV Re[Sigma]= -79.377981 meV Im[Sigma]= 4576.586204 meV Z= -1.707369 lam= -1.585697 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -803.914212 meV Im[Sigma]= 1354.585000 meV Z= 0.844129 lam= 0.184652 E( 3 )= -2.0558 eV Re[Sigma]= -1161.025285 meV Im[Sigma]= 3194.989703 meV Z= -40.107251 lam= -1.024933 E( 4 )= 3.1818 eV Re[Sigma]= 573.071118 meV Im[Sigma]= 4982.815297 meV Z= -1.355597 lam= -1.737682 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802835 meV Im[Sigma]= 2770.388875 meV Z= -16.268745 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322849 meV Im[Sigma]= 3017.257667 meV Z= 3.562393 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764609 meV Im[Sigma]= 4289.856121 meV Z= -3.454830 lam= -1.289450 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -803.914879 meV Im[Sigma]= 1354.584867 meV Z= 0.844129 lam= 0.184653 E( 3 )= -2.0558 eV Re[Sigma]= -1161.024985 meV Im[Sigma]= 3194.989575 meV Z= -40.107346 lam= -1.024933 E( 4 )= 3.1818 eV Re[Sigma]= 573.071537 meV Im[Sigma]= 4982.814235 meV Z= -1.355598 lam= -1.737682 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802719 meV Im[Sigma]= 2770.388872 meV Z= -16.268735 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322884 meV Im[Sigma]= 3017.257616 meV Z= 3.562392 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764748 meV Im[Sigma]= 4289.856422 meV Z= -3.454830 lam= -1.289450 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -803.914158 meV Im[Sigma]= 1354.584892 meV Z= 0.844129 lam= 0.184652 E( 3 )= -2.0558 eV Re[Sigma]= -1161.024977 meV Im[Sigma]= 3194.989460 meV Z= -40.107386 lam= -1.024933 E( 4 )= 3.1818 eV Re[Sigma]= 573.071245 meV Im[Sigma]= 4982.814610 meV Z= -1.355598 lam= -1.737682 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802818 meV Im[Sigma]= 2770.389748 meV Z= -16.268618 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322883 meV Im[Sigma]= 3017.258788 meV Z= 3.562401 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764946 meV Im[Sigma]= 4289.856991 meV Z= -3.454830 lam= -1.289450 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497536 meV Im[Sigma]= 3074.406540 meV Z= -3.454432 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295205 meV Im[Sigma]= 3569.843727 meV Z= -10.656293 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.012071 meV Im[Sigma]= 1259.459154 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.801104 meV Im[Sigma]= 2304.096849 meV Z= 6.787429 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.643280 meV Im[Sigma]= 3035.129509 meV Z= 3.525930 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.096096 meV Im[Sigma]= 4847.930165 meV Z= -1.140852 lam= -1.876538 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155681 meV Im[Sigma]= 2083.547250 meV Z= 3.845413 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802593 meV Im[Sigma]= 3326.882255 meV Z= 9.681894 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723022 meV Im[Sigma]= 2524.350076 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1338.394826 meV Im[Sigma]= 2162.605117 meV Z= 2.116756 lam= -0.527579 E( 3 )= -0.6208 eV Re[Sigma]= -223.916395 meV Im[Sigma]= 1558.102338 meV Z= 0.970607 lam= 0.030283 E( 4 )= 1.0451 eV Re[Sigma]= -79.377927 meV Im[Sigma]= 4576.586988 meV Z= -1.707368 lam= -1.585697 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802753 meV Im[Sigma]= 2770.389859 meV Z= -16.268602 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322475 meV Im[Sigma]= 3017.257712 meV Z= 3.562394 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.765503 meV Im[Sigma]= 4289.858474 meV Z= -3.454823 lam= -1.289450 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.647042 meV Im[Sigma]= 965.253456 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992611 meV Im[Sigma]= 4296.348230 meV Z= -3.784371 lam= -1.264245 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814377 meV Im[Sigma]= 3728.900475 meV Z= -4.567276 lam= -1.218949 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -6.1085 eV Re[Sigma]= -1106.142998 meV Im[Sigma]= 11.014327 meV Z= 0.789534 lam= 0.266570 E( 3 )= 4.9298 eV Re[Sigma]= 1465.055897 meV Im[Sigma]= 1234.911619 meV Z= 1.101376 lam= -0.092044 E( 4 )= 4.9298 eV Re[Sigma]= 1465.055688 meV Im[Sigma]= 1234.911454 meV Z= 1.101376 lam= -0.092044 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.647163 meV Im[Sigma]= 965.253365 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992471 meV Im[Sigma]= 4296.347200 meV Z= -3.784376 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814134 meV Im[Sigma]= 3728.899136 meV Z= -4.567287 lam= -1.218948 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155319 meV Im[Sigma]= 2083.548043 meV Z= 3.845418 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802374 meV Im[Sigma]= 3326.882333 meV Z= 9.681899 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723346 meV Im[Sigma]= 2524.349849 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.9469 eV Re[Sigma]= -1564.197763 meV Im[Sigma]= 194.113047 meV Z= 0.787541 lam= 0.269774 E( 3 )= 0.8828 eV Re[Sigma]= -116.362699 meV Im[Sigma]= 360.289262 meV Z= 0.821985 lam= 0.216568 E( 4 )= 0.8828 eV Re[Sigma]= -116.362392 meV Im[Sigma]= 360.289166 meV Z= 0.821985 lam= 0.216568 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155478 meV Im[Sigma]= 2083.546045 meV Z= 3.845406 lam= -0.739949 E( 3 )= 0.4945 eV Re[Sigma]= -149.802826 meV Im[Sigma]= 3326.882012 meV Z= 9.681861 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723217 meV Im[Sigma]= 2524.349583 meV Z= 1.588803 lam= -0.370595 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646925 meV Im[Sigma]= 965.253263 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.991989 meV Im[Sigma]= 4296.346600 meV Z= -3.784377 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814561 meV Im[Sigma]= 3728.899452 meV Z= -4.567290 lam= -1.218948 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646893 meV Im[Sigma]= 965.253715 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992605 meV Im[Sigma]= 4296.346415 meV Z= -3.784380 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.813947 meV Im[Sigma]= 3728.898668 meV Z= -4.567290 lam= -1.218948 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497601 meV Im[Sigma]= 3074.406355 meV Z= -3.454434 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295819 meV Im[Sigma]= 3569.842265 meV Z= -10.656335 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011629 meV Im[Sigma]= 1259.458865 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.801218 meV Im[Sigma]= 2304.096528 meV Z= 6.787421 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.642916 meV Im[Sigma]= 3035.129896 meV Z= 3.525935 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.095964 meV Im[Sigma]= 4847.929096 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155485 meV Im[Sigma]= 2083.547574 meV Z= 3.845416 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802215 meV Im[Sigma]= 3326.882063 meV Z= 9.681893 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723323 meV Im[Sigma]= 2524.349987 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1338.394131 meV Im[Sigma]= 2162.605069 meV Z= 2.116756 lam= -0.527579 E( 3 )= -0.6208 eV Re[Sigma]= -223.916265 meV Im[Sigma]= 1558.102286 meV Z= 0.970607 lam= 0.030283 E( 4 )= 1.0451 eV Re[Sigma]= -79.377840 meV Im[Sigma]= 4576.584703 meV Z= -1.707371 lam= -1.585696 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802446 meV Im[Sigma]= 2770.389315 meV Z= -16.268675 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322648 meV Im[Sigma]= 3017.257403 meV Z= 3.562391 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764505 meV Im[Sigma]= 4289.855042 meV Z= -3.454839 lam= -1.289449 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155388 meV Im[Sigma]= 2083.548264 meV Z= 3.845420 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802401 meV Im[Sigma]= 3326.882116 meV Z= 9.681891 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723170 meV Im[Sigma]= 2524.349532 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.801189 meV Im[Sigma]= 2304.096654 meV Z= 6.787424 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.642855 meV Im[Sigma]= 3035.129929 meV Z= 3.525935 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.095978 meV Im[Sigma]= 4847.929023 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497702 meV Im[Sigma]= 3074.406773 meV Z= -3.454432 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295696 meV Im[Sigma]= 3569.843040 meV Z= -10.656292 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011036 meV Im[Sigma]= 1259.458872 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.647109 meV Im[Sigma]= 965.253543 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992077 meV Im[Sigma]= 4296.345006 meV Z= -3.784388 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814495 meV Im[Sigma]= 3728.899360 meV Z= -4.567284 lam= -1.218948 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802588 meV Im[Sigma]= 2770.388967 meV Z= -16.268724 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322506 meV Im[Sigma]= 3017.256948 meV Z= 3.562389 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764274 meV Im[Sigma]= 4289.854993 meV Z= -3.454835 lam= -1.289449 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1338.394335 meV Im[Sigma]= 2162.605089 meV Z= 2.116756 lam= -0.527579 E( 3 )= -0.6208 eV Re[Sigma]= -223.916295 meV Im[Sigma]= 1558.102153 meV Z= 0.970607 lam= 0.030283 E( 4 )= 1.0451 eV Re[Sigma]= -79.377997 meV Im[Sigma]= 4576.584882 meV Z= -1.707371 lam= -1.585696 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.9469 eV Re[Sigma]= -1564.197676 meV Im[Sigma]= 194.113044 meV Z= 0.787541 lam= 0.269774 E( 3 )= 0.8828 eV Re[Sigma]= -116.362653 meV Im[Sigma]= 360.289239 meV Z= 0.821985 lam= 0.216568 E( 4 )= 0.8828 eV Re[Sigma]= -116.362490 meV Im[Sigma]= 360.289215 meV Z= 0.821985 lam= 0.216568 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155409 meV Im[Sigma]= 2083.547392 meV Z= 3.845414 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802260 meV Im[Sigma]= 3326.881956 meV Z= 9.681889 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723461 meV Im[Sigma]= 2524.349997 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.647287 meV Im[Sigma]= 965.253257 meV Z= 1.048688 lam= -0.046427 E( 3 )= 3.1191 eV Re[Sigma]= 525.991958 meV Im[Sigma]= 4296.344767 meV Z= -3.784390 lam= -1.264243 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814539 meV Im[Sigma]= 3728.899505 meV Z= -4.567285 lam= -1.218948 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -6.1085 eV Re[Sigma]= -1106.142750 meV Im[Sigma]= 11.014325 meV Z= 0.789534 lam= 0.266570 E( 3 )= 4.9298 eV Re[Sigma]= 1465.055126 meV Im[Sigma]= 1234.910889 meV Z= 1.101375 lam= -0.092044 E( 4 )= 4.9298 eV Re[Sigma]= 1465.055514 meV Im[Sigma]= 1234.911306 meV Z= 1.101375 lam= -0.092044 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646375 meV Im[Sigma]= 965.253390 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.991732 meV Im[Sigma]= 4296.346018 meV Z= -3.784380 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.813481 meV Im[Sigma]= 3728.898202 meV Z= -4.567295 lam= -1.218948 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155209 meV Im[Sigma]= 2083.546128 meV Z= 3.845409 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802624 meV Im[Sigma]= 3326.882039 meV Z= 9.681872 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723526 meV Im[Sigma]= 2524.349334 meV Z= 1.588803 lam= -0.370595 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155406 meV Im[Sigma]= 2083.546788 meV Z= 3.845410 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.803297 meV Im[Sigma]= 3326.882444 meV Z= 9.681872 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723196 meV Im[Sigma]= 2524.350423 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1338.394470 meV Im[Sigma]= 2162.605110 meV Z= 2.116756 lam= -0.527579 E( 3 )= -0.6208 eV Re[Sigma]= -223.916250 meV Im[Sigma]= 1558.102314 meV Z= 0.970607 lam= 0.030283 E( 4 )= 1.0451 eV Re[Sigma]= -79.378129 meV Im[Sigma]= 4576.587648 meV Z= -1.707367 lam= -1.585697 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802885 meV Im[Sigma]= 2770.389892 meV Z= -16.268605 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322849 meV Im[Sigma]= 3017.257757 meV Z= 3.562394 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764726 meV Im[Sigma]= 4289.856450 meV Z= -3.454829 lam= -1.289450 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646507 meV Im[Sigma]= 965.253363 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992263 meV Im[Sigma]= 4296.348670 meV Z= -3.784368 lam= -1.264245 E( 4 )= 3.9347 eV Re[Sigma]= 1444.813903 meV Im[Sigma]= 3728.898309 meV Z= -4.567294 lam= -1.218948 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497151 meV Im[Sigma]= 3074.405891 meV Z= -3.454436 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295270 meV Im[Sigma]= 3569.842198 meV Z= -10.656343 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011148 meV Im[Sigma]= 1259.459152 meV Z= 1.050263 lam= -0.047858 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.800763 meV Im[Sigma]= 2304.096040 meV Z= 6.787420 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.643719 meV Im[Sigma]= 3035.129502 meV Z= 3.525927 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.096351 meV Im[Sigma]= 4847.930117 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.647124 meV Im[Sigma]= 965.253320 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992571 meV Im[Sigma]= 4296.349992 meV Z= -3.784360 lam= -1.264245 E( 4 )= 3.9347 eV Re[Sigma]= 1444.815124 meV Im[Sigma]= 3728.900460 meV Z= -4.567282 lam= -1.218949 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802862 meV Im[Sigma]= 2770.390247 meV Z= -16.268563 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322902 meV Im[Sigma]= 3017.258542 meV Z= 3.562398 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.765357 meV Im[Sigma]= 4289.857983 meV Z= -3.454826 lam= -1.289450 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1338.394621 meV Im[Sigma]= 2162.605177 meV Z= 2.116756 lam= -0.527579 E( 3 )= -0.6208 eV Re[Sigma]= -223.916362 meV Im[Sigma]= 1558.102316 meV Z= 0.970607 lam= 0.030283 E( 4 )= 1.0451 eV Re[Sigma]= -79.378172 meV Im[Sigma]= 4576.587010 meV Z= -1.707368 lam= -1.585697 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155271 meV Im[Sigma]= 2083.547094 meV Z= 3.845415 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.803198 meV Im[Sigma]= 3326.882737 meV Z= 9.681888 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723383 meV Im[Sigma]= 2524.349910 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.800847 meV Im[Sigma]= 2304.096127 meV Z= 6.787422 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.643645 meV Im[Sigma]= 3035.129350 meV Z= 3.525927 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.096607 meV Im[Sigma]= 4847.930878 meV Z= -1.140852 lam= -1.876538 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497569 meV Im[Sigma]= 3074.406434 meV Z= -3.454433 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295377 meV Im[Sigma]= 3569.844415 meV Z= -10.656236 lam= -1.093842 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011434 meV Im[Sigma]= 1259.459063 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1111.570261 meV Im[Sigma]= 797.888284 meV Z= 0.766910 lam= 0.303934 E( 3 )= 5.4492 eV Re[Sigma]= 1642.668121 meV Im[Sigma]= 1077.409462 meV Z= 0.951936 lam= 0.050490 E( 4 )= 5.4492 eV Re[Sigma]= 1642.668307 meV Im[Sigma]= 1077.409190 meV Z= 0.951936 lam= 0.050490 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497503 meV Im[Sigma]= 3074.406962 meV Z= -3.454429 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295402 meV Im[Sigma]= 3569.844163 meV Z= -10.656246 lam= -1.093842 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011548 meV Im[Sigma]= 1259.460948 meV Z= 1.050264 lam= -0.047858 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -803.914223 meV Im[Sigma]= 1354.585143 meV Z= 0.844130 lam= 0.184652 E( 3 )= -2.0558 eV Re[Sigma]= -1161.025006 meV Im[Sigma]= 3194.989571 meV Z= -40.107346 lam= -1.024933 E( 4 )= 3.1818 eV Re[Sigma]= 573.070862 meV Im[Sigma]= 4982.817403 meV Z= -1.355596 lam= -1.737683 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155337 meV Im[Sigma]= 2083.546294 meV Z= 3.845410 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802592 meV Im[Sigma]= 3326.881871 meV Z= 9.681865 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723976 meV Im[Sigma]= 2524.350720 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -0.4940 eV Re[Sigma]= -759.839405 meV Im[Sigma]= 658.981426 meV Z= 0.770360 lam= 0.298094 E( 3 )= 2.4513 eV Re[Sigma]= -341.596842 meV Im[Sigma]= 2009.847236 meV Z= 1.317898 lam= -0.241216 E( 4 )= 2.4513 eV Re[Sigma]= -341.596894 meV Im[Sigma]= 2009.848059 meV Z= 1.317898 lam= -0.241216 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382158 meV Im[Sigma]= 1854.447758 meV Z= 1.830267 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160250 meV Im[Sigma]= 3698.085584 meV Z= -5.266348 lam= -1.189885 E( 4 )= 4.6034 eV Re[Sigma]= 1160.544024 meV Im[Sigma]= 3018.568953 meV Z= -11.500984 lam= -1.086949 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497333 meV Im[Sigma]= 3074.406568 meV Z= -3.454433 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295667 meV Im[Sigma]= 3569.843012 meV Z= -10.656308 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.010912 meV Im[Sigma]= 1259.459406 meV Z= 1.050263 lam= -0.047858 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.647007 meV Im[Sigma]= 965.253244 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992090 meV Im[Sigma]= 4296.346009 meV Z= -3.784384 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814787 meV Im[Sigma]= 3728.899831 meV Z= -4.567283 lam= -1.218949 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802927 meV Im[Sigma]= 2770.389634 meV Z= -16.268637 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322807 meV Im[Sigma]= 3017.257809 meV Z= 3.562393 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764861 meV Im[Sigma]= 4289.855707 meV Z= -3.454835 lam= -1.289449 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1338.394569 meV Im[Sigma]= 2162.605008 meV Z= 2.116756 lam= -0.527579 E( 3 )= -0.6208 eV Re[Sigma]= -223.916428 meV Im[Sigma]= 1558.102341 meV Z= 0.970607 lam= 0.030283 E( 4 )= 1.0451 eV Re[Sigma]= -79.378055 meV Im[Sigma]= 4576.587232 meV Z= -1.707367 lam= -1.585697 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155401 meV Im[Sigma]= 2083.546862 meV Z= 3.845411 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.803133 meV Im[Sigma]= 3326.882505 meV Z= 9.681876 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723006 meV Im[Sigma]= 2524.349349 meV Z= 1.588803 lam= -0.370595 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.800679 meV Im[Sigma]= 2304.096131 meV Z= 6.787415 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.643764 meV Im[Sigma]= 3035.129077 meV Z= 3.525924 lam= -0.716386 E( 4 )= 3.6085 eV Re[Sigma]= 930.095999 meV Im[Sigma]= 4847.930544 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -803.914116 meV Im[Sigma]= 1354.584830 meV Z= 0.844129 lam= 0.184652 E( 3 )= -2.0558 eV Re[Sigma]= -1161.025007 meV Im[Sigma]= 3194.989481 meV Z= -40.107415 lam= -1.024933 E( 4 )= 3.1818 eV Re[Sigma]= 573.071346 meV Im[Sigma]= 4982.814904 meV Z= -1.355598 lam= -1.737682 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802805 meV Im[Sigma]= 2770.388678 meV Z= -16.268762 lam= -1.061467 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322787 meV Im[Sigma]= 3017.257644 meV Z= 3.562391 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764663 meV Im[Sigma]= 4289.856008 meV Z= -3.454832 lam= -1.289450 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -803.915131 meV Im[Sigma]= 1354.585050 meV Z= 0.844129 lam= 0.184653 E( 3 )= -2.0558 eV Re[Sigma]= -1161.024903 meV Im[Sigma]= 3194.989529 meV Z= -40.107370 lam= -1.024933 E( 4 )= 3.1818 eV Re[Sigma]= 573.071548 meV Im[Sigma]= 4982.814250 meV Z= -1.355598 lam= -1.737682 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802851 meV Im[Sigma]= 2770.389034 meV Z= -16.268721 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322815 meV Im[Sigma]= 3017.257794 meV Z= 3.562393 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764488 meV Im[Sigma]= 4289.855949 meV Z= -3.454831 lam= -1.289450 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -803.914128 meV Im[Sigma]= 1354.584833 meV Z= 0.844129 lam= 0.184652 E( 3 )= -2.0558 eV Re[Sigma]= -1161.025271 meV Im[Sigma]= 3194.989945 meV Z= -40.107026 lam= -1.024933 E( 4 )= 3.1818 eV Re[Sigma]= 573.071340 meV Im[Sigma]= 4982.814265 meV Z= -1.355598 lam= -1.737682 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802763 meV Im[Sigma]= 2770.389771 meV Z= -16.268613 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322852 meV Im[Sigma]= 3017.258656 meV Z= 3.562401 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764429 meV Im[Sigma]= 4289.855754 meV Z= -3.454837 lam= -1.289449 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155439 meV Im[Sigma]= 2083.545862 meV Z= 3.845405 lam= -0.739949 E( 3 )= 0.4945 eV Re[Sigma]= -149.803119 meV Im[Sigma]= 3326.882168 meV Z= 9.681881 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723671 meV Im[Sigma]= 2524.350714 meV Z= 1.588805 lam= -0.370596 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1338.394550 meV Im[Sigma]= 2162.605006 meV Z= 2.116756 lam= -0.527579 E( 3 )= -0.6208 eV Re[Sigma]= -223.916424 meV Im[Sigma]= 1558.102391 meV Z= 0.970607 lam= 0.030283 E( 4 )= 1.0451 eV Re[Sigma]= -79.378109 meV Im[Sigma]= 4576.587667 meV Z= -1.707367 lam= -1.585697 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802984 meV Im[Sigma]= 2770.390071 meV Z= -16.268587 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322807 meV Im[Sigma]= 3017.257929 meV Z= 3.562395 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.764788 meV Im[Sigma]= 4289.855988 meV Z= -3.454832 lam= -1.289450 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646649 meV Im[Sigma]= 965.253416 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992284 meV Im[Sigma]= 4296.348117 meV Z= -3.784371 lam= -1.264245 E( 4 )= 3.9347 eV Re[Sigma]= 1444.813546 meV Im[Sigma]= 3728.897922 meV Z= -4.567297 lam= -1.218948 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497204 meV Im[Sigma]= 3074.405757 meV Z= -3.454437 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295136 meV Im[Sigma]= 3569.842395 meV Z= -10.656331 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011056 meV Im[Sigma]= 1259.458733 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.800747 meV Im[Sigma]= 2304.096384 meV Z= 6.787433 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.644074 meV Im[Sigma]= 3035.129151 meV Z= 3.525924 lam= -0.716386 E( 4 )= 3.6085 eV Re[Sigma]= 930.095987 meV Im[Sigma]= 4847.928645 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= -0.4940 eV Re[Sigma]= -759.839398 meV Im[Sigma]= 658.981416 meV Z= 0.770360 lam= 0.298094 E( 3 )= 2.4513 eV Re[Sigma]= -341.596534 meV Im[Sigma]= 2009.847694 meV Z= 1.317898 lam= -0.241216 E( 4 )= 2.4513 eV Re[Sigma]= -341.597229 meV Im[Sigma]= 2009.847624 meV Z= 1.317898 lam= -0.241216 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155231 meV Im[Sigma]= 2083.547172 meV Z= 3.845414 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802812 meV Im[Sigma]= 3326.882593 meV Z= 9.681868 lam= -0.896714 E( 4 )= 1.9112 eV Re[Sigma]= -361.723486 meV Im[Sigma]= 2524.349585 meV Z= 1.588803 lam= -0.370595 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -2.2966 eV Re[Sigma]= -803.914276 meV Im[Sigma]= 1354.585146 meV Z= 0.844129 lam= 0.184652 E( 3 )= -2.0558 eV Re[Sigma]= -1161.025235 meV Im[Sigma]= 3194.990024 meV Z= -40.106942 lam= -1.024933 E( 4 )= 3.1818 eV Re[Sigma]= 573.070848 meV Im[Sigma]= 4982.816558 meV Z= -1.355596 lam= -1.737683 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497367 meV Im[Sigma]= 3074.406121 meV Z= -3.454433 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295210 meV Im[Sigma]= 3569.843166 meV Z= -10.656283 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011626 meV Im[Sigma]= 1259.460179 meV Z= 1.050263 lam= -0.047858 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -2.0130 eV Re[Sigma]= -1111.570399 meV Im[Sigma]= 797.887433 meV Z= 0.766909 lam= 0.303935 E( 3 )= 5.4492 eV Re[Sigma]= 1642.668139 meV Im[Sigma]= 1077.409097 meV Z= 0.951936 lam= 0.050490 E( 4 )= 5.4492 eV Re[Sigma]= 1642.667858 meV Im[Sigma]= 1077.408801 meV Z= 0.951936 lam= 0.050491 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382260 meV Im[Sigma]= 1854.447865 meV Z= 1.830267 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160323 meV Im[Sigma]= 3698.084549 meV Z= -5.266357 lam= -1.189885 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543581 meV Im[Sigma]= 3018.569478 meV Z= -11.500940 lam= -1.086949 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382437 meV Im[Sigma]= 1854.448047 meV Z= 1.830267 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160451 meV Im[Sigma]= 3698.083827 meV Z= -5.266373 lam= -1.189884 E( 4 )= 4.6034 eV Re[Sigma]= 1160.544316 meV Im[Sigma]= 3018.571704 meV Z= -11.500830 lam= -1.086950 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.800766 meV Im[Sigma]= 2304.096005 meV Z= 6.787407 lam= -0.852668 E( 3 )= 0.9376 eV Re[Sigma]= -698.643940 meV Im[Sigma]= 3035.129067 meV Z= 3.525924 lam= -0.716386 E( 4 )= 3.6085 eV Re[Sigma]= 930.096627 meV Im[Sigma]= 4847.932461 meV Z= -1.140852 lam= -1.876538 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802640 meV Im[Sigma]= 2770.389344 meV Z= -16.268662 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322792 meV Im[Sigma]= 3017.257938 meV Z= 3.562395 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.765637 meV Im[Sigma]= 4289.859055 meV Z= -3.454821 lam= -1.289451 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.800877 meV Im[Sigma]= 2304.096311 meV Z= 6.787427 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.644052 meV Im[Sigma]= 3035.128843 meV Z= 3.525922 lam= -0.716386 E( 4 )= 3.6085 eV Re[Sigma]= 930.096529 meV Im[Sigma]= 4847.930397 meV Z= -1.140852 lam= -1.876538 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382412 meV Im[Sigma]= 1854.448279 meV Z= 1.830268 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160612 meV Im[Sigma]= 3698.082506 meV Z= -5.266385 lam= -1.189884 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543951 meV Im[Sigma]= 3018.572491 meV Z= -11.500768 lam= -1.086951 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 82.027632 meV Im[Sigma]= 1625.701131 meV Z= 1.073790 lam= -0.068719 E( 3 )= 3.9714 eV Re[Sigma]= 602.940611 meV Im[Sigma]= 3887.180436 meV Z= -6.353106 lam= -1.157403 E( 4 )= 6.2108 eV Re[Sigma]= 896.102867 meV Im[Sigma]= 181.979901 meV Z= 0.872103 lam= 0.146654 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 604.205969 meV Im[Sigma]= 2255.818087 meV Z= 2.871846 lam= -0.651792 E( 3 )= 6.4212 eV Re[Sigma]= 1051.849683 meV Im[Sigma]= 148.144590 meV Z= 0.830620 lam= 0.203920 E( 4 )= 6.4212 eV Re[Sigma]= 1051.849689 meV Im[Sigma]= 148.144576 meV Z= 0.830620 lam= 0.203920 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 82.027451 meV Im[Sigma]= 1625.701348 meV Z= 1.073790 lam= -0.068719 E( 3 )= 3.9714 eV Re[Sigma]= 602.940318 meV Im[Sigma]= 3887.180267 meV Z= -6.353100 lam= -1.157403 E( 4 )= 6.2108 eV Re[Sigma]= 896.102952 meV Im[Sigma]= 181.979970 meV Z= 0.872103 lam= 0.146654 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497509 meV Im[Sigma]= 3074.406765 meV Z= -3.454431 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.294919 meV Im[Sigma]= 3569.842954 meV Z= -10.656312 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.012050 meV Im[Sigma]= 1259.459178 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646715 meV Im[Sigma]= 965.253236 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.991846 meV Im[Sigma]= 4296.346155 meV Z= -3.784380 lam= -1.264244 E( 4 )= 3.9347 eV Re[Sigma]= 1444.815013 meV Im[Sigma]= 3728.900612 meV Z= -4.567280 lam= -1.218949 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382072 meV Im[Sigma]= 1854.447114 meV Z= 1.830266 lam= -0.453631 E( 3 )= 4.2119 eV Re[Sigma]= 543.160470 meV Im[Sigma]= 3698.084012 meV Z= -5.266373 lam= -1.189884 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543494 meV Im[Sigma]= 3018.569710 meV Z= -11.500912 lam= -1.086950 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- E( 2 )= 4.7377 eV Re[Sigma]= 632.846150 meV Im[Sigma]= 635.647086 meV Z= 1.016604 lam= -0.016333 E( 3 )= 5.4468 eV Re[Sigma]= 1103.246780 meV Im[Sigma]= 2358.006007 meV Z= 8.667317 lam= -0.884624 E( 4 )= 5.4468 eV Re[Sigma]= 1103.246725 meV Im[Sigma]= 2358.005715 meV Z= 8.667307 lam= -0.884624 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 82.027671 meV Im[Sigma]= 1625.701557 meV Z= 1.073790 lam= -0.068719 E( 3 )= 3.9714 eV Re[Sigma]= 602.940924 meV Im[Sigma]= 3887.179543 meV Z= -6.353112 lam= -1.157403 E( 4 )= 6.2108 eV Re[Sigma]= 896.102917 meV Im[Sigma]= 181.979959 meV Z= 0.872103 lam= 0.146654 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382369 meV Im[Sigma]= 1854.448316 meV Z= 1.830268 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160355 meV Im[Sigma]= 3698.082580 meV Z= -5.266388 lam= -1.189883 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543339 meV Im[Sigma]= 3018.571082 meV Z= -11.500816 lam= -1.086950 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.801075 meV Im[Sigma]= 2304.096819 meV Z= 6.787427 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.643304 meV Im[Sigma]= 3035.129599 meV Z= 3.525931 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.096167 meV Im[Sigma]= 4847.930811 meV Z= -1.140852 lam= -1.876538 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802480 meV Im[Sigma]= 2770.388847 meV Z= -16.268727 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322724 meV Im[Sigma]= 3017.257232 meV Z= 3.562390 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.765186 meV Im[Sigma]= 4289.856978 meV Z= -3.454828 lam= -1.289450 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.800865 meV Im[Sigma]= 2304.096139 meV Z= 6.787421 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.643478 meV Im[Sigma]= 3035.129615 meV Z= 3.525928 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.096445 meV Im[Sigma]= 4847.929737 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382472 meV Im[Sigma]= 1854.448877 meV Z= 1.830269 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160576 meV Im[Sigma]= 3698.083516 meV Z= -5.266371 lam= -1.189884 E( 4 )= 4.6034 eV Re[Sigma]= 1160.544772 meV Im[Sigma]= 3018.570420 meV Z= -11.500930 lam= -1.086949 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497546 meV Im[Sigma]= 3074.406734 meV Z= -3.454431 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295511 meV Im[Sigma]= 3569.843419 meV Z= -10.656297 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011865 meV Im[Sigma]= 1259.459031 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.801057 meV Im[Sigma]= 2304.096861 meV Z= 6.787429 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.643141 meV Im[Sigma]= 3035.129558 meV Z= 3.525931 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.096147 meV Im[Sigma]= 4847.930247 meV Z= -1.140852 lam= -1.876538 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155756 meV Im[Sigma]= 2083.547223 meV Z= 3.845412 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802471 meV Im[Sigma]= 3326.882675 meV Z= 9.681910 lam= -0.896715 E( 4 )= 1.9112 eV Re[Sigma]= -361.722996 meV Im[Sigma]= 2524.350038 meV Z= 1.588804 lam= -0.370596 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1338.394461 meV Im[Sigma]= 2162.604979 meV Z= 2.116756 lam= -0.527579 E( 3 )= -0.6208 eV Re[Sigma]= -223.916171 meV Im[Sigma]= 1558.102409 meV Z= 0.970607 lam= 0.030283 E( 4 )= 1.0451 eV Re[Sigma]= -79.377804 meV Im[Sigma]= 4576.585843 meV Z= -1.707370 lam= -1.585696 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802783 meV Im[Sigma]= 2770.389995 meV Z= -16.268584 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322440 meV Im[Sigma]= 3017.258106 meV Z= 3.562397 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.765093 meV Im[Sigma]= 4289.857065 meV Z= -3.454830 lam= -1.289450 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.647127 meV Im[Sigma]= 965.253546 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992681 meV Im[Sigma]= 4296.349877 meV Z= -3.784359 lam= -1.264246 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814263 meV Im[Sigma]= 3728.899730 meV Z= -4.567283 lam= -1.218949 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.646761 meV Im[Sigma]= 965.253294 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992019 meV Im[Sigma]= 4296.347822 meV Z= -3.784373 lam= -1.264245 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814756 meV Im[Sigma]= 3728.900273 meV Z= -4.567280 lam= -1.218949 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802743 meV Im[Sigma]= 2770.389225 meV Z= -16.268696 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322751 meV Im[Sigma]= 3017.257498 meV Z= 3.562391 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.765357 meV Im[Sigma]= 4289.858155 meV Z= -3.454823 lam= -1.289450 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.5356 eV Re[Sigma]= -1338.394561 meV Im[Sigma]= 2162.605082 meV Z= 2.116756 lam= -0.527579 E( 3 )= -0.6208 eV Re[Sigma]= -223.916165 meV Im[Sigma]= 1558.102435 meV Z= 0.970607 lam= 0.030283 E( 4 )= 1.0451 eV Re[Sigma]= -79.378042 meV Im[Sigma]= 4576.587243 meV Z= -1.707368 lam= -1.585697 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.3311 eV Re[Sigma]= -902.155013 meV Im[Sigma]= 2083.546880 meV Z= 3.845413 lam= -0.739950 E( 3 )= 0.4945 eV Re[Sigma]= -149.802736 meV Im[Sigma]= 3326.883295 meV Z= 9.681916 lam= -0.896715 E( 4 )= 1.9112 eV Re[Sigma]= -361.723306 meV Im[Sigma]= 2524.349406 meV Z= 1.588803 lam= -0.370596 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.800745 meV Im[Sigma]= 2304.095652 meV Z= 6.787411 lam= -0.852668 E( 3 )= 0.9376 eV Re[Sigma]= -698.643924 meV Im[Sigma]= 3035.129666 meV Z= 3.525928 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.096124 meV Im[Sigma]= 4847.928956 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497513 meV Im[Sigma]= 3074.406169 meV Z= -3.454434 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.295138 meV Im[Sigma]= 3569.844674 meV Z= -10.656226 lam= -1.093842 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011168 meV Im[Sigma]= 1259.458983 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382466 meV Im[Sigma]= 1854.447414 meV Z= 1.830266 lam= -0.453631 E( 3 )= 4.2119 eV Re[Sigma]= 543.160437 meV Im[Sigma]= 3698.083448 meV Z= -5.266380 lam= -1.189884 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543627 meV Im[Sigma]= 3018.571451 meV Z= -11.500822 lam= -1.086950 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.800867 meV Im[Sigma]= 2304.096064 meV Z= 6.787419 lam= -0.852669 E( 3 )= 0.9376 eV Re[Sigma]= -698.643830 meV Im[Sigma]= 3035.129505 meV Z= 3.525927 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.096689 meV Im[Sigma]= 4847.931452 meV Z= -1.140852 lam= -1.876538 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.6549 eV Re[Sigma]= -1452.802783 meV Im[Sigma]= 2770.389745 meV Z= -16.268614 lam= -1.061468 E( 3 )= -0.1771 eV Re[Sigma]= -1016.322979 meV Im[Sigma]= 3017.258549 meV Z= 3.562398 lam= -0.719290 E( 4 )= 2.6144 eV Re[Sigma]= 1175.765689 meV Im[Sigma]= 4289.859188 meV Z= -3.454820 lam= -1.289451 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -1.9018 eV Re[Sigma]= -253.800813 meV Im[Sigma]= 2304.095494 meV Z= 6.787403 lam= -0.852668 E( 3 )= 0.9376 eV Re[Sigma]= -698.643986 meV Im[Sigma]= 3035.129534 meV Z= 3.525927 lam= -0.716387 E( 4 )= 3.6085 eV Re[Sigma]= 930.096501 meV Im[Sigma]= 4847.929866 meV Z= -1.140853 lam= -1.876537 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382312 meV Im[Sigma]= 1854.448547 meV Z= 1.830268 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160242 meV Im[Sigma]= 3698.083060 meV Z= -5.266376 lam= -1.189884 E( 4 )= 4.6034 eV Re[Sigma]= 1160.543808 meV Im[Sigma]= 3018.570971 meV Z= -11.500867 lam= -1.086950 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 82.027544 meV Im[Sigma]= 1625.700794 meV Z= 1.073790 lam= -0.068719 E( 3 )= 3.9714 eV Re[Sigma]= 602.940547 meV Im[Sigma]= 3887.181181 meV Z= -6.353097 lam= -1.157404 E( 4 )= 6.2108 eV Re[Sigma]= 896.102681 meV Im[Sigma]= 181.979849 meV Z= 0.872103 lam= 0.146654 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- E( 2 )= 4.7377 eV Re[Sigma]= 632.846152 meV Im[Sigma]= 635.647073 meV Z= 1.016604 lam= -0.016333 E( 3 )= 5.4468 eV Re[Sigma]= 1103.246943 meV Im[Sigma]= 2358.006576 meV Z= 8.667336 lam= -0.884624 E( 4 )= 5.4468 eV Re[Sigma]= 1103.246587 meV Im[Sigma]= 2358.005425 meV Z= 8.667298 lam= -0.884624 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- E( 2 )= 0.0511 eV Re[Sigma]= -527.382210 meV Im[Sigma]= 1854.448691 meV Z= 1.830269 lam= -0.453632 E( 3 )= 4.2119 eV Re[Sigma]= 543.160616 meV Im[Sigma]= 3698.084635 meV Z= -5.266358 lam= -1.189885 E( 4 )= 4.6034 eV Re[Sigma]= 1160.544583 meV Im[Sigma]= 3018.570859 meV Z= -11.500886 lam= -1.086950 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -4.7123 eV Re[Sigma]= -1653.647004 meV Im[Sigma]= 965.253567 meV Z= 1.048688 lam= -0.046428 E( 3 )= 3.1191 eV Re[Sigma]= 525.992738 meV Im[Sigma]= 4296.349786 meV Z= -3.784361 lam= -1.264245 E( 4 )= 3.9347 eV Re[Sigma]= 1444.814622 meV Im[Sigma]= 3728.900171 meV Z= -4.567283 lam= -1.218949 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.2806 eV Re[Sigma]= -1048.497514 meV Im[Sigma]= 3074.406092 meV Z= -3.454435 lam= -1.289483 E( 3 )= 2.5061 eV Re[Sigma]= 120.294694 meV Im[Sigma]= 3569.843483 meV Z= -10.656293 lam= -1.093841 E( 4 )= 4.9592 eV Re[Sigma]= 1619.011126 meV Im[Sigma]= 1259.458412 meV Z= 1.050263 lam= -0.047857 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- E( 2 )= 1.4813 eV Re[Sigma]= 82.027396 meV Im[Sigma]= 1625.700557 meV Z= 1.073790 lam= -0.068719 E( 3 )= 3.9714 eV Re[Sigma]= 602.940493 meV Im[Sigma]= 3887.180851 meV Z= -6.353102 lam= -1.157403 E( 4 )= 6.2108 eV Re[Sigma]= 896.102768 meV Im[Sigma]= 181.979930 meV Z= 0.872103 lam= 0.146654 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- E( 2 )= 4.0786 eV Re[Sigma]= 604.206105 meV Im[Sigma]= 2255.820737 meV Z= 2.871854 lam= -0.651793 E( 3 )= 6.4212 eV Re[Sigma]= 1051.849229 meV Im[Sigma]= 148.144403 meV Z= 0.830620 lam= 0.203920 E( 4 )= 6.4212 eV Re[Sigma]= 1051.849382 meV Im[Sigma]= 148.144444 meV Z= 0.830620 lam= 0.203920 ------------------------------------------------------------------- 1 2 6.8737 0.0000 0.0000 1.0000 0.0000 2 2 4.0786 604.2061 2255.8193 2.8718 -0.6518 3 2 -2.0130 -1111.5702 797.8876 0.7669 0.3039 4 2 -6.1085 -1106.1429 11.0143 0.7895 0.2666 5 2 -2.0130 -1111.5703 797.8881 0.7669 0.3039 6 2 4.0786 604.2063 2255.8181 2.8718 -0.6518 7 2 4.0786 604.2062 2255.8192 2.8718 -0.6518 8 2 4.7377 632.8466 635.6468 1.0166 -0.0163 9 2 0.0511 -527.3824 1854.4491 1.8303 -0.4536 10 2 -4.7123 -1653.6469 965.2537 1.0487 -0.0464 11 2 -3.2806 -1048.4973 3074.4062 -3.4544 -1.2895 12 2 1.4813 82.0276 1625.7012 1.0738 -0.0687 13 2 -2.0130 -1111.5702 797.8876 0.7669 0.3039 14 2 0.0511 -527.3824 1854.4493 1.8303 -0.4536 15 2 -0.4940 -759.8403 658.9815 0.7704 0.2981 16 2 -3.3311 -902.1555 2083.5479 3.8454 -0.7400 17 2 -2.2966 -803.9140 1354.5847 0.8441 0.1847 18 2 -3.2806 -1048.4975 3074.4065 -3.4544 -1.2895 19 2 -6.1085 -1106.1428 11.0143 0.7895 0.2666 20 2 -4.7123 -1653.6470 965.2537 1.0487 -0.0464 21 2 -3.3311 -902.1553 2083.5483 3.8454 -0.7400 22 2 -4.9469 -1564.1976 194.1131 0.7875 0.2698 23 2 -3.3311 -902.1552 2083.5457 3.8454 -0.7399 24 2 -4.7123 -1653.6468 965.2533 1.0487 -0.0464 25 2 -2.0130 -1111.5704 797.8882 0.7669 0.3039 26 2 -3.2806 -1048.4973 3074.4063 -3.4544 -1.2895 27 2 -2.2966 -803.9142 1354.5851 0.8441 0.1847 28 2 -3.3311 -902.1551 2083.5469 3.8454 -0.7399 29 2 -0.4940 -759.8392 658.9812 0.7704 0.2981 30 2 0.0511 -527.3823 1854.4476 1.8303 -0.4536 31 2 4.0786 604.2060 2255.8186 2.8718 -0.6518 32 2 1.4813 82.0276 1625.7012 1.0738 -0.0687 33 2 -3.2806 -1048.4976 3074.4067 -3.4544 -1.2895 34 2 -4.7123 -1653.6470 965.2532 1.0487 -0.0464 35 2 0.0511 -527.3822 1854.4477 1.8303 -0.4536 36 2 4.7377 632.8465 635.6470 1.0166 -0.0163 37 2 4.0786 604.2062 2255.8193 2.8718 -0.6518 38 2 4.7377 632.8465 635.6468 1.0166 -0.0163 39 2 0.0511 -527.3824 1854.4492 1.8303 -0.4536 40 2 -4.7123 -1653.6472 965.2535 1.0487 -0.0464 41 2 -3.2806 -1048.4975 3074.4062 -3.4544 -1.2895 42 2 1.4813 82.0274 1625.7010 1.0738 -0.0687 43 2 4.7377 632.8466 635.6468 1.0166 -0.0163 44 2 4.0786 604.2062 2255.8171 2.8718 -0.6518 45 2 1.4813 82.0275 1625.7015 1.0738 -0.0687 46 2 -3.2806 -1048.4974 3074.4069 -3.4544 -1.2895 47 2 -4.7123 -1653.6468 965.2532 1.0487 -0.0464 48 2 0.0511 -527.3823 1854.4482 1.8303 -0.4536 49 2 0.0511 -527.3824 1854.4492 1.8303 -0.4536 50 2 1.4813 82.0275 1625.7015 1.0738 -0.0687 51 2 0.0511 -527.3823 1854.4483 1.8303 -0.4536 52 2 -1.9018 -253.8010 2304.0968 6.7874 -0.8527 53 2 -3.6549 -1452.8026 2770.3892 -16.2687 -1.0615 54 2 -1.9018 -253.8011 2304.0966 6.7874 -0.8527 55 2 -4.7123 -1653.6469 965.2537 1.0487 -0.0464 56 2 -3.2806 -1048.4975 3074.4065 -3.4544 -1.2895 57 2 -1.9018 -253.8012 2304.0967 6.7874 -0.8527 58 2 -3.3311 -902.1555 2083.5473 3.8454 -0.7399 59 2 -3.5356 -1338.3940 2162.6048 2.1168 -0.5276 60 2 -3.6549 -1452.8027 2770.3894 -16.2687 -1.0615 61 2 -3.2806 -1048.4973 3074.4062 -3.4544 -1.2895 62 2 -4.7123 -1653.6468 965.2532 1.0487 -0.0464 63 2 -3.6549 -1452.8028 2770.3892 -16.2687 -1.0615 64 2 -3.5356 -1338.3944 2162.6050 2.1168 -0.5276 65 2 -3.3311 -902.1550 2083.5468 3.8454 -0.7399 66 2 -1.9018 -253.8007 2304.0955 6.7874 -0.8527 67 2 1.4813 82.0276 1625.7012 1.0738 -0.0687 68 2 0.0511 -527.3823 1854.4483 1.8303 -0.4536 69 2 -1.9018 -253.8011 2304.0967 6.7874 -0.8527 70 2 -3.6549 -1452.8030 2770.3899 -16.2686 -1.0615 71 2 -1.9018 -253.8008 2304.0955 6.7874 -0.8527 72 2 0.0511 -527.3823 1854.4485 1.8303 -0.4536 73 2 -2.0130 -1111.5702 797.8876 0.7669 0.3039 74 2 0.0511 -527.3823 1854.4493 1.8303 -0.4536 75 2 -0.4940 -759.8402 658.9814 0.7704 0.2981 76 2 -3.3311 -902.1555 2083.5481 3.8454 -0.7400 77 2 -2.2966 -803.9142 1354.5849 0.8441 0.1847 78 2 -3.2806 -1048.4975 3074.4066 -3.4544 -1.2895 79 2 0.0511 -527.3824 1854.4493 1.8303 -0.4536 80 2 1.4813 82.0276 1625.7015 1.0738 -0.0687 81 2 0.0511 -527.3823 1854.4483 1.8303 -0.4536 82 2 -1.9018 -253.8011 2304.0965 6.7874 -0.8527 83 2 -3.6549 -1452.8028 2770.3898 -16.2686 -1.0615 84 2 -1.9018 -253.8011 2304.0966 6.7874 -0.8527 85 2 -0.4940 -759.8403 658.9815 0.7704 0.2981 86 2 0.0511 -527.3823 1854.4485 1.8303 -0.4536 87 2 -2.0130 -1111.5702 797.8883 0.7669 0.3039 88 2 -3.2806 -1048.4976 3074.4071 -3.4544 -1.2895 89 2 -2.2966 -803.9141 1354.5848 0.8441 0.1847 90 2 -3.3311 -902.1557 2083.5472 3.8454 -0.7399 91 2 -3.3311 -902.1553 2083.5485 3.8454 -0.7400 92 2 -1.9018 -253.8012 2304.0965 6.7874 -0.8527 93 2 -3.2806 -1048.4977 3074.4066 -3.4544 -1.2895 94 2 -4.7123 -1653.6471 965.2535 1.0487 -0.0464 95 2 -3.6549 -1452.8025 2770.3892 -16.2687 -1.0615 96 2 -3.5356 -1338.3946 2162.6050 2.1168 -0.5276 97 2 -2.2966 -803.9142 1354.5850 0.8441 0.1847 98 2 -3.6549 -1452.8028 2770.3889 -16.2687 -1.0615 99 2 -2.2966 -803.9149 1354.5849 0.8441 0.1847 100 2 -3.6549 -1452.8027 2770.3889 -16.2687 -1.0615 101 2 -2.2966 -803.9142 1354.5849 0.8441 0.1847 102 2 -3.6549 -1452.8028 2770.3897 -16.2686 -1.0615 103 2 -3.2806 -1048.4975 3074.4065 -3.4544 -1.2895 104 2 -1.9018 -253.8011 2304.0968 6.7874 -0.8527 105 2 -3.3311 -902.1557 2083.5473 3.8454 -0.7399 106 2 -3.5356 -1338.3948 2162.6051 2.1168 -0.5276 107 2 -3.6549 -1452.8028 2770.3899 -16.2686 -1.0615 108 2 -4.7123 -1653.6470 965.2535 1.0487 -0.0464 109 2 -6.1085 -1106.1430 11.0143 0.7895 0.2666 110 2 -4.7123 -1653.6472 965.2534 1.0487 -0.0464 111 2 -3.3311 -902.1553 2083.5480 3.8454 -0.7400 112 2 -4.9469 -1564.1978 194.1130 0.7875 0.2698 113 2 -3.3311 -902.1555 2083.5460 3.8454 -0.7399 114 2 -4.7123 -1653.6469 965.2533 1.0487 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120.2951 3569.8424 -10.6563 -1.0938 168 3 0.9376 -698.6441 3035.1292 3.5259 -0.7164 169 3 2.4513 -341.5965 2009.8477 1.3179 -0.2412 170 3 0.4945 -149.8028 3326.8826 9.6819 -0.8967 171 3 -2.0558 -1161.0252 3194.9900 -40.1069 -1.0249 172 3 2.5061 120.2952 3569.8432 -10.6563 -1.0938 173 3 5.4492 1642.6681 1077.4091 0.9519 0.0505 174 3 4.2119 543.1603 3698.0845 -5.2664 -1.1899 175 3 4.2119 543.1605 3698.0838 -5.2664 -1.1899 176 3 0.9376 -698.6439 3035.1291 3.5259 -0.7164 177 3 -0.1771 -1016.3228 3017.2579 3.5624 -0.7193 178 3 0.9376 -698.6441 3035.1288 3.5259 -0.7164 179 3 4.2119 543.1606 3698.0825 -5.2664 -1.1899 180 3 3.9714 602.9406 3887.1804 -6.3531 -1.1574 181 3 6.4212 1051.8497 148.1446 0.8306 0.2039 182 3 3.9714 602.9403 3887.1803 -6.3531 -1.1574 183 3 2.5061 120.2949 3569.8430 -10.6563 -1.0938 184 3 3.1191 525.9918 4296.3462 -3.7844 -1.2642 185 3 4.2119 543.1605 3698.0840 -5.2664 -1.1899 186 3 5.4468 1103.2468 2358.0060 8.6673 -0.8846 187 3 3.9714 602.9409 3887.1795 -6.3531 -1.1574 188 3 4.2119 543.1604 3698.0826 -5.2664 -1.1899 189 3 0.9376 -698.6433 3035.1296 3.5259 -0.7164 190 3 -0.1771 -1016.3227 3017.2572 3.5624 -0.7193 191 3 0.9376 -698.6435 3035.1296 3.5259 -0.7164 192 3 4.2119 543.1606 3698.0835 -5.2664 -1.1899 193 3 2.5061 120.2955 3569.8434 -10.6563 -1.0938 194 3 0.9376 -698.6431 3035.1296 3.5259 -0.7164 195 3 0.4945 -149.8025 3326.8827 9.6819 -0.8967 196 3 -0.6208 -223.9162 1558.1024 0.9706 0.0303 197 3 -0.1771 -1016.3224 3017.2581 3.5624 -0.7193 198 3 3.1191 525.9927 4296.3499 -3.7844 -1.2642 199 3 3.1191 525.9920 4296.3478 -3.7844 -1.2642 200 3 -0.1771 -1016.3228 3017.2575 3.5624 -0.7193 201 3 -0.6208 -223.9162 1558.1024 0.9706 0.0303 202 3 0.4945 -149.8027 3326.8833 9.6819 -0.8967 203 3 0.9376 -698.6439 3035.1297 3.5259 -0.7164 204 3 2.5061 120.2951 3569.8447 -10.6562 -1.0938 205 3 4.2119 543.1604 3698.0834 -5.2664 -1.1899 206 3 0.9376 -698.6438 3035.1295 3.5259 -0.7164 207 3 -0.1771 -1016.3230 3017.2585 3.5624 -0.7193 208 3 0.9376 -698.6440 3035.1295 3.5259 -0.7164 209 3 4.2119 543.1602 3698.0831 -5.2664 -1.1899 210 3 3.9714 602.9405 3887.1812 -6.3531 -1.1574 211 3 5.4468 1103.2469 2358.0066 8.6673 -0.8846 212 3 4.2119 543.1606 3698.0846 -5.2664 -1.1899 213 3 3.1191 525.9927 4296.3498 -3.7844 -1.2642 214 3 2.5061 120.2947 3569.8435 -10.6563 -1.0938 215 3 3.9714 602.9405 3887.1809 -6.3531 -1.1574 216 3 6.4212 1051.8492 148.1444 0.8306 0.2039 1 4 6.8737 0.0000 0.0000 1.0000 0.0000 2 4 6.4212 1051.8491 148.1444 0.8306 0.2039 3 4 5.4492 1642.6686 1077.4092 0.9519 0.0505 4 4 4.9298 1465.0553 1234.9109 1.1014 -0.0920 5 4 5.4492 1642.6676 1077.4077 0.9519 0.0505 6 4 6.4212 1051.8495 148.1446 0.8306 0.2039 7 4 6.4212 1051.8491 148.1444 0.8306 0.2039 8 4 5.4468 1103.2464 2358.0056 8.6673 -0.8846 9 4 4.6034 1160.5439 3018.5704 -11.5009 -1.0869 10 4 3.9347 1444.8140 3728.8982 -4.5673 -1.2189 11 4 4.9592 1619.0102 1259.4580 1.0503 -0.0479 12 4 6.2108 896.1026 181.9797 0.8721 0.1467 13 4 5.4492 1642.6685 1077.4091 0.9519 0.0505 14 4 4.6034 1160.5438 3018.5699 -11.5009 -1.0869 15 4 2.4513 -341.5957 2009.8466 1.3179 -0.2412 16 4 1.9112 -361.7230 2524.3494 1.5888 -0.3706 17 4 3.1818 573.0715 4982.8128 -1.3556 -1.7377 18 4 4.9592 1619.0116 1259.4589 1.0503 -0.0479 19 4 4.9298 1465.0555 1234.9114 1.1014 -0.0920 20 4 3.9347 1444.8139 3728.8988 -4.5673 -1.2189 21 4 1.9112 -361.7234 2524.3497 1.5888 -0.3706 22 4 0.8828 -116.3624 360.2893 0.8220 0.2166 23 4 1.9112 -361.7234 2524.3500 1.5888 -0.3706 24 4 3.9347 1444.8142 3728.8995 -4.5673 -1.2189 25 4 5.4492 1642.6680 1077.4090 0.9519 0.0505 26 4 4.9592 1619.0109 1259.4603 1.0503 -0.0479 27 4 3.1818 573.0709 4982.8165 -1.3556 -1.7377 28 4 1.9112 -361.7238 2524.3510 1.5888 -0.3706 29 4 2.4513 -341.5970 2009.8472 1.3179 -0.2412 30 4 4.6034 1160.5435 3018.5691 -11.5010 -1.0869 31 4 6.4212 1051.8497 148.1446 0.8306 0.2039 32 4 6.2108 896.1028 181.9799 0.8721 0.1467 33 4 4.9592 1619.0120 1259.4592 1.0503 -0.0479 34 4 3.9347 1444.8150 3728.9007 -4.5673 -1.2189 35 4 4.6034 1160.5437 3018.5701 -11.5009 -1.0869 36 4 5.4468 1103.2469 2358.0066 8.6673 -0.8846 37 4 6.4212 1051.8491 148.1444 0.8306 0.2039 38 4 5.4468 1103.2459 2358.0043 8.6673 -0.8846 39 4 4.6034 1160.5439 3018.5705 -11.5009 -1.0869 40 4 3.9347 1444.8141 3728.8985 -4.5673 -1.2189 41 4 4.9592 1619.0106 1259.4588 1.0503 -0.0479 42 4 6.2108 896.1027 181.9798 0.8721 0.1467 43 4 5.4468 1103.2460 2358.0047 8.6673 -0.8846 44 4 6.4212 1051.8495 148.1446 0.8306 0.2039 45 4 6.2108 896.1028 181.9799 0.8721 0.1467 46 4 4.9592 1619.0114 1259.4588 1.0503 -0.0479 47 4 3.9347 1444.8146 3728.8988 -4.5673 -1.2189 48 4 4.6034 1160.5435 3018.5694 -11.5009 -1.0869 49 4 4.6034 1160.5439 3018.5697 -11.5009 -1.0869 50 4 6.2108 896.1028 181.9799 0.8721 0.1467 51 4 4.6034 1160.5436 3018.5695 -11.5009 -1.0869 52 4 3.6085 930.0959 4847.9290 -1.1409 -1.8765 53 4 2.6144 1175.7645 4289.8547 -3.4548 -1.2894 54 4 3.6085 930.0960 4847.9285 -1.1409 -1.8765 55 4 3.9347 1444.8138 3728.8985 -4.5673 -1.2189 56 4 4.9592 1619.0114 1259.4587 1.0503 -0.0479 57 4 3.6085 930.0959 4847.9290 -1.1409 -1.8765 58 4 1.9112 -361.7232 2524.3498 1.5888 -0.3706 59 4 1.0451 -79.3777 4576.5848 -1.7074 -1.5857 60 4 2.6144 1175.7645 4289.8553 -3.4548 -1.2894 61 4 4.9592 1619.0108 1259.4598 1.0503 -0.0479 62 4 3.9347 1444.8144 3728.8991 -4.5673 -1.2189 63 4 2.6144 1175.7647 4289.8557 -3.4548 -1.2894 64 4 1.0451 -79.3780 4576.5874 -1.7074 -1.5857 65 4 1.9112 -361.7236 2524.3501 1.5888 -0.3706 66 4 3.6085 930.0960 4847.9293 -1.1409 -1.8765 67 4 6.2108 896.1030 181.9800 0.8721 0.1467 68 4 4.6034 1160.5434 3018.5705 -11.5009 -1.0870 69 4 3.6085 930.0963 4847.9300 -1.1409 -1.8765 70 4 2.6144 1175.7653 4289.8571 -3.4548 -1.2895 71 4 3.6085 930.0964 4847.9293 -1.1409 -1.8765 72 4 4.6034 1160.5441 3018.5697 -11.5009 -1.0869 73 4 5.4492 1642.6685 1077.4092 0.9519 0.0505 74 4 4.6034 1160.5439 3018.5704 -11.5009 -1.0869 75 4 2.4513 -341.5959 2009.8466 1.3179 -0.2412 76 4 1.9112 -361.7232 2524.3496 1.5888 -0.3706 77 4 3.1818 573.0712 4982.8138 -1.3556 -1.7377 78 4 4.9592 1619.0117 1259.4591 1.0503 -0.0479 79 4 4.6034 1160.5439 3018.5700 -11.5009 -1.0869 80 4 6.2108 896.1028 181.9798 0.8721 0.1467 81 4 4.6034 1160.5436 3018.5693 -11.5009 -1.0869 82 4 3.6085 930.0959 4847.9291 -1.1409 -1.8765 83 4 2.6144 1175.7645 4289.8551 -3.4548 -1.2894 84 4 3.6085 930.0960 4847.9294 -1.1409 -1.8765 85 4 2.4513 -341.5963 2009.8463 1.3179 -0.2412 86 4 4.6034 1160.5435 3018.5694 -11.5009 -1.0869 87 4 5.4492 1642.6683 1077.4090 0.9519 0.0505 88 4 4.9592 1619.0111 1259.4589 1.0503 -0.0479 89 4 3.1818 573.0715 4982.8142 -1.3556 -1.7377 90 4 1.9112 -361.7230 2524.3501 1.5888 -0.3706 91 4 1.9112 -361.7234 2524.3497 1.5888 -0.3706 92 4 3.6085 930.0959 4847.9289 -1.1409 -1.8765 93 4 4.9592 1619.0111 1259.4589 1.0503 -0.0479 94 4 3.9347 1444.8144 3728.8990 -4.5673 -1.2189 95 4 2.6144 1175.7645 4289.8551 -3.4548 -1.2894 96 4 1.0451 -79.3780 4576.5862 -1.7074 -1.5857 97 4 3.1818 573.0711 4982.8153 -1.3556 -1.7377 98 4 2.6144 1175.7646 4289.8561 -3.4548 -1.2894 99 4 3.1818 573.0715 4982.8142 -1.3556 -1.7377 100 4 2.6144 1175.7647 4289.8564 -3.4548 -1.2894 101 4 3.1818 573.0712 4982.8146 -1.3556 -1.7377 102 4 2.6144 1175.7649 4289.8570 -3.4548 -1.2894 103 4 4.9592 1619.0121 1259.4592 1.0503 -0.0479 104 4 3.6085 930.0961 4847.9302 -1.1409 -1.8765 105 4 1.9112 -361.7230 2524.3501 1.5888 -0.3706 106 4 1.0451 -79.3779 4576.5870 -1.7074 -1.5857 107 4 2.6144 1175.7655 4289.8585 -3.4548 -1.2895 108 4 3.9347 1444.8144 3728.9005 -4.5673 -1.2189 109 4 4.9298 1465.0557 1234.9115 1.1014 -0.0920 110 4 3.9347 1444.8141 3728.8991 -4.5673 -1.2189 111 4 1.9112 -361.7233 2524.3498 1.5888 -0.3706 112 4 0.8828 -116.3624 360.2892 0.8220 0.2166 113 4 1.9112 -361.7232 2524.3496 1.5888 -0.3706 114 4 3.9347 1444.8146 3728.8995 -4.5673 -1.2189 115 4 3.9347 1444.8139 3728.8987 -4.5673 -1.2189 116 4 4.9592 1619.0116 1259.4589 1.0503 -0.0479 117 4 3.6085 930.0960 4847.9291 -1.1409 -1.8765 118 4 1.9112 -361.7233 2524.3500 1.5888 -0.3706 119 4 1.0451 -79.3778 4576.5847 -1.7074 -1.5857 120 4 2.6144 1175.7645 4289.8550 -3.4548 -1.2894 121 4 1.9112 -361.7232 2524.3495 1.5888 -0.3706 122 4 3.6085 930.0960 4847.9290 -1.1409 -1.8765 123 4 4.9592 1619.0110 1259.4589 1.0503 -0.0479 124 4 3.9347 1444.8145 3728.8994 -4.5673 -1.2189 125 4 2.6144 1175.7643 4289.8550 -3.4548 -1.2894 126 4 1.0451 -79.3780 4576.5849 -1.7074 -1.5857 127 4 0.8828 -116.3625 360.2892 0.8220 0.2166 128 4 1.9112 -361.7235 2524.3500 1.5888 -0.3706 129 4 3.9347 1444.8145 3728.8995 -4.5673 -1.2189 130 4 4.9298 1465.0555 1234.9113 1.1014 -0.0920 131 4 3.9347 1444.8135 3728.8982 -4.5673 -1.2189 132 4 1.9112 -361.7235 2524.3493 1.5888 -0.3706 133 4 1.9112 -361.7232 2524.3504 1.5888 -0.3706 134 4 1.0451 -79.3781 4576.5876 -1.7074 -1.5857 135 4 2.6144 1175.7647 4289.8565 -3.4548 -1.2894 136 4 3.9347 1444.8139 3728.8983 -4.5673 -1.2189 137 4 4.9592 1619.0111 1259.4592 1.0503 -0.0479 138 4 3.6085 930.0964 4847.9301 -1.1409 -1.8765 139 4 3.9347 1444.8151 3728.9005 -4.5673 -1.2189 140 4 2.6144 1175.7654 4289.8580 -3.4548 -1.2895 141 4 1.0451 -79.3782 4576.5870 -1.7074 -1.5857 142 4 1.9112 -361.7234 2524.3499 1.5888 -0.3706 143 4 3.6085 930.0966 4847.9309 -1.1409 -1.8765 144 4 4.9592 1619.0114 1259.4591 1.0503 -0.0479 145 4 5.4492 1642.6683 1077.4092 0.9519 0.0505 146 4 4.9592 1619.0115 1259.4609 1.0503 -0.0479 147 4 3.1818 573.0709 4982.8174 -1.3556 -1.7377 148 4 1.9112 -361.7240 2524.3507 1.5888 -0.3706 149 4 2.4513 -341.5969 2009.8481 1.3179 -0.2412 150 4 4.6034 1160.5440 3018.5690 -11.5010 -1.0869 151 4 4.9592 1619.0109 1259.4594 1.0503 -0.0479 152 4 3.9347 1444.8148 3728.8998 -4.5673 -1.2189 153 4 2.6144 1175.7649 4289.8557 -3.4548 -1.2894 154 4 1.0451 -79.3781 4576.5872 -1.7074 -1.5857 155 4 1.9112 -361.7230 2524.3493 1.5888 -0.3706 156 4 3.6085 930.0960 4847.9305 -1.1409 -1.8765 157 4 3.1818 573.0713 4982.8149 -1.3556 -1.7377 158 4 2.6144 1175.7647 4289.8560 -3.4548 -1.2894 159 4 3.1818 573.0715 4982.8142 -1.3556 -1.7377 160 4 2.6144 1175.7645 4289.8559 -3.4548 -1.2894 161 4 3.1818 573.0713 4982.8143 -1.3556 -1.7377 162 4 2.6144 1175.7644 4289.8558 -3.4548 -1.2894 163 4 1.9112 -361.7237 2524.3507 1.5888 -0.3706 164 4 1.0451 -79.3781 4576.5877 -1.7074 -1.5857 165 4 2.6144 1175.7648 4289.8560 -3.4548 -1.2894 166 4 3.9347 1444.8135 3728.8979 -4.5673 -1.2189 167 4 4.9592 1619.0111 1259.4587 1.0503 -0.0479 168 4 3.6085 930.0960 4847.9286 -1.1409 -1.8765 169 4 2.4513 -341.5972 2009.8476 1.3179 -0.2412 170 4 1.9112 -361.7235 2524.3496 1.5888 -0.3706 171 4 3.1818 573.0708 4982.8166 -1.3556 -1.7377 172 4 4.9592 1619.0116 1259.4602 1.0503 -0.0479 173 4 5.4492 1642.6679 1077.4088 0.9519 0.0505 174 4 4.6034 1160.5436 3018.5695 -11.5009 -1.0869 175 4 4.6034 1160.5443 3018.5717 -11.5008 -1.0870 176 4 3.6085 930.0966 4847.9325 -1.1409 -1.8765 177 4 2.6144 1175.7656 4289.8591 -3.4548 -1.2895 178 4 3.6085 930.0965 4847.9304 -1.1409 -1.8765 179 4 4.6034 1160.5440 3018.5725 -11.5008 -1.0870 180 4 6.2108 896.1029 181.9799 0.8721 0.1467 181 4 6.4212 1051.8497 148.1446 0.8306 0.2039 182 4 6.2108 896.1030 181.9800 0.8721 0.1467 183 4 4.9592 1619.0120 1259.4592 1.0503 -0.0479 184 4 3.9347 1444.8150 3728.9006 -4.5673 -1.2189 185 4 4.6034 1160.5435 3018.5697 -11.5009 -1.0869 186 4 5.4468 1103.2467 2358.0057 8.6673 -0.8846 187 4 6.2108 896.1029 181.9800 0.8721 0.1467 188 4 4.6034 1160.5433 3018.5711 -11.5008 -1.0870 189 4 3.6085 930.0962 4847.9308 -1.1409 -1.8765 190 4 2.6144 1175.7652 4289.8570 -3.4548 -1.2895 191 4 3.6085 930.0964 4847.9297 -1.1409 -1.8765 192 4 4.6034 1160.5448 3018.5704 -11.5009 -1.0869 193 4 4.9592 1619.0119 1259.4590 1.0503 -0.0479 194 4 3.6085 930.0961 4847.9302 -1.1409 -1.8765 195 4 1.9112 -361.7230 2524.3500 1.5888 -0.3706 196 4 1.0451 -79.3778 4576.5858 -1.7074 -1.5857 197 4 2.6144 1175.7651 4289.8571 -3.4548 -1.2894 198 4 3.9347 1444.8143 3728.8997 -4.5673 -1.2189 199 4 3.9347 1444.8148 3728.9003 -4.5673 -1.2189 200 4 2.6144 1175.7654 4289.8582 -3.4548 -1.2895 201 4 1.0451 -79.3780 4576.5872 -1.7074 -1.5857 202 4 1.9112 -361.7233 2524.3494 1.5888 -0.3706 203 4 3.6085 930.0961 4847.9290 -1.1409 -1.8765 204 4 4.9592 1619.0112 1259.4590 1.0503 -0.0479 205 4 4.6034 1160.5436 3018.5715 -11.5008 -1.0870 206 4 3.6085 930.0967 4847.9315 -1.1409 -1.8765 207 4 2.6144 1175.7657 4289.8592 -3.4548 -1.2895 208 4 3.6085 930.0965 4847.9299 -1.1409 -1.8765 209 4 4.6034 1160.5438 3018.5710 -11.5009 -1.0869 210 4 6.2108 896.1027 181.9798 0.8721 0.1467 211 4 5.4468 1103.2466 2358.0054 8.6673 -0.8846 212 4 4.6034 1160.5446 3018.5709 -11.5009 -1.0869 213 4 3.9347 1444.8146 3728.9002 -4.5673 -1.2189 214 4 4.9592 1619.0111 1259.4584 1.0503 -0.0479 215 4 6.2108 896.1028 181.9799 0.8721 0.1467 216 4 6.4212 1051.8494 148.1444 0.8306 0.2039 =================================================================== Eliashberg Spectral Function in the Migdal Approximation =================================================================== lambda : 16.0017903 lambda_tr : 103.1553591 Estimated Allen-Dynes Tc logavg = 0.0000532 l_a2F = 16.0444164 mu = 0.10 Tc = 2.139995276410 K mu = 0.12 Tc = 2.102610203962 K mu = 0.14 Tc = 2.064779858013 K mu = 0.16 Tc = 2.026502585409 K mu = 0.18 Tc = 1.987777242507 K mu = 0.20 Tc = 1.948603253757 K a2F : 0.12s CPU 0.06s WALL ( 1 calls) Unfolding on the coarse grid elphon_wrap : 164.59s CPU 82.60s WALL ( 1 calls) INITIALIZATION: init_vloc : 0.18s CPU 0.09s WALL ( 29 calls) init_us_1 : 2.69s CPU 1.34s WALL ( 29 calls) Electron-Phonon interpolation ephwann : 6.67s CPU 3.37s WALL ( 1 calls) ep-interp : 6.35s CPU 3.20s WALL ( 216 calls) PH SELF-ENER : 0.19s CPU 0.09s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) ep: step 1 : 0.01s CPU 0.00s WALL ( 81 calls) ep: step 2 : 0.03s CPU 0.02s WALL ( 81 calls) DynW2B : 0.01s CPU 0.00s WALL ( 216 calls) HamW2B : 3.00s CPU 1.48s WALL ( 93744 calls) ephW2Bp : 0.10s CPU 0.05s WALL ( 216 calls) Total program execution EPW : 3m12.12s CPU 1m36.41s WALL