``:oss/ `.+s+. .+ys--yh+ `./ss+. -sh//yy+` +yy +yy -+h+-oyy -yh- .oyy/.-sh. .syo-.:sy- /yh `.-.` `yh+ -oyyyo. `/syys: oys `.` `/+ssys+-` `sh+ ` oys` .:osyo` -yh- ./syyooyo` .sys+/oyo--yh/ `yy+ .-:-. `-/+/:` -sh- /yh. oys ``..---hho---------` .---------..` `.-----.` -hd+---. `./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:` +sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy` -yy/ /MMM+.`-+/``mMMy- `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs -yy+` /MMMo:-mMM+`-oo/. mMMh: `dMMN/` dMMm:`dMMMMy..MMMo-.+yo` .sys`/MMMMNNMMMs- mMMmyooooymMMNo: oMMM/sMMMMMM++MMN//oh: `sh+/MMMhyyMMMs- `-` mMMMMMMMMMNmy+-` -MMMhMMMsmMMmdMMd/yy+ `-/+++oyy-/MMM+.`/hh/.`mNm:` mMMd+/////:-.` NMMMMMd/:NMMMMMy:/yyo/:.` +os+//:-..-oMMMo:--:::-/MMMo. .-mMMd+---` hMMMMN+. oMMMMMo. `-+osyso:` syo `mNMMMMMNNNNNNNNMMMo.oNNMMMMMNNNN:` +MMMMs:` dMMMN/` ``:syo /yh` :syyyyyyyyyyyyyyyy+.`+syyyyyyyyo:` .oyys:` .oyys:` +yh -yh- ```````````````` ````````` `` `` oys -+h/------------------------::::::::://////++++++++++++++++++++++///////::::/yd: shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh` S. Ponce, E. R. Margine, C. Verdi, and F. Giustino, http://arxiv.org/abs/1604.03525 Program EPW v.4.0.0 (svn rev. 12530) starts on 22Jun2016 at 17: 4: 0 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 HOST : @host@ ARCH : x86_64 CC : cc CPP : cpp F90 : mpif90 F77 : gfortran DFLAGS : -D__GFORTRAN -D__STD_F95 -D__FFTW -D__MPI -D__PARA BLAS LIBS : /home/sponce/program/espresso/BLAS/blas.a LAPACK LIBS : /home/sponce/program/espresso/lapack-3.2/lapack.a FFT LIBS : MASS LIBS : Parallel version (MPI), running on 4 processors K-points division: npool = 4 Reading data from directory: ./diam.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 = SLA PZ NOGX NOGC ( 1 1 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want file C_3.98148.UPF: wavefunction(s) 3d renormalized G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 367 367 121 4645 4645 893 Possibly too few bands at point 1 0.00000 0.00000 0.00000 Possibly too few bands at point 2 -0.33333 0.33333 -0.33333 Possibly too few bands at point 3 -0.66667 0.66667 -0.66667 Possibly too few bands at point 4 0.33333 0.33333 0.33333 Possibly too few bands at point 5 0.00000 0.66667 0.00000 Possibly too few bands at point 6 -0.33333 1.00000 -0.33333 Possibly too few bands at point 7 0.66667 0.66667 0.66667 -- bravais-lattice index = 2 lattice parameter (a_0) = 6.6425 a.u. unit-cell volume = 73.2698 (a.u.)^3 number of atoms/cell = 2 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 = SLA PZ NOGX NOGC ( 1 1 0 0 0 0) celldm(1)= 6.64245 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 C 12.0118 tau( 1) = ( 0.00000 0.00000 0.00000 ) 2 C 12.0118 tau( 2) = ( 0.25000 0.25000 0.25000 ) 49 Sym.Ops. (with q -> -q+G ) G cutoff = 268.2305 ( 4645 G-vectors) FFT grid: ( 24, 24, 24) 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 C read from file: ../../pp/C_3.98148.UPF MD5 check sum: 8b65adcd36341f53911399f4b6efa59f Pseudo is Norm-conserving, Zval = 4.0 Generated by new atomic code, or converted to UPF format Using radial grid of 461 points, 2 beta functions with: l(1) = 0 l(2) = 1 EPW : 0.22s CPU 0.22s WALL EPW : 0.29s CPU 0.29s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- Using ./diam.ukk from disk ------------------------------------------------------------------- Dipole matrix elements calculated Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## kmaps : 1.54s CPU 1.54s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 48 Do not need to read .epb files; read .fmt files Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file Finished reading Wann rep data from file Using q-mesh file: path.dat Size of q point mesh for interpolation: 201 Using k-mesh file: path.dat Size of k point mesh for interpolation: 402 Max number of k points per pool: 102 Fermi energy coarse grid = 14.009584 eV =================================================================== Fermi energy corresponds to the coarse k-mesh =================================================================== ibndmin = 1 ebndmin = -0.069 ibndmax = 4 ebndmax = 1.021 Number of ep-matrix elements per pool : 4896 ~= 38.25 Kb (@ 8 bytes/ DP) =================================================================== Electron (Imaginary) Self-Energy in the Migdal Approximation =================================================================== Fermi Surface thickness = 15.000000 eV Golden Rule strictly enforced with T = 0.025852 eV Gaussian Broadening: 1.000000 eV, ngauss= 1 DOS = 0.081569 states/spin/eV/Unit Cell at Ef= 0.000000 eV WARNING: only the eigenstates within the Fermi window are meaningful ik = 1 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.0314 eV Re[Sigma]= -93.010928 meV Im[Sigma]= 488.184401 meV Z= 1.264623 lam= -0.209250 E( 2 )= -0.4915 eV Re[Sigma]= -6.743542 meV Im[Sigma]= 441.690963 meV Z= 1.213201 lam= -0.175735 E( 3 )= 10.6149 eV Re[Sigma]= -62.203257 meV Im[Sigma]= 451.979695 meV Z= 1.190536 lam= -0.160042 E( 4 )= 10.6149 eV Re[Sigma]= -64.905843 meV Im[Sigma]= 429.641032 meV Z= 1.177521 lam= -0.150759 ------------------------------------------------------------------- ik = 2 coord.: 0.4950000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.0404 eV Re[Sigma]= -104.313439 meV Im[Sigma]= 502.544418 meV Z= 1.276238 lam= -0.216447 E( 2 )= -0.4805 eV Re[Sigma]= -2.773571 meV Im[Sigma]= 446.190838 meV Z= 1.221015 lam= -0.181009 E( 3 )= 10.6158 eV Re[Sigma]= -58.124927 meV Im[Sigma]= 462.064461 meV Z= 1.203881 lam= -0.169353 E( 4 )= 10.6158 eV Re[Sigma]= -61.140066 meV Im[Sigma]= 439.117006 meV Z= 1.189652 lam= -0.159418 ------------------------------------------------------------------- ik = 3 coord.: 0.4900000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.0668 eV Re[Sigma]= -121.839580 meV Im[Sigma]= 494.106364 meV Z= 1.265743 lam= -0.209950 E( 2 )= -0.4481 eV Re[Sigma]= 6.491263 meV Im[Sigma]= 427.778450 meV Z= 1.207995 lam= -0.172182 E( 3 )= 10.6184 eV Re[Sigma]= -53.502642 meV Im[Sigma]= 472.251530 meV Z= 1.218021 lam= -0.178996 E( 4 )= 10.6184 eV Re[Sigma]= -56.892690 meV Im[Sigma]= 448.682145 meV Z= 1.202452 lam= -0.168366 ------------------------------------------------------------------- ik = 4 coord.: 0.4850000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.1086 eV Re[Sigma]= -142.738783 meV Im[Sigma]= 466.267320 meV Z= 1.238581 lam= -0.192624 E( 2 )= -0.3962 eV Re[Sigma]= 18.474792 meV Im[Sigma]= 391.160684 meV Z= 1.179396 lam= -0.152108 E( 3 )= 10.6228 eV Re[Sigma]= -48.299607 meV Im[Sigma]= 482.401091 meV Z= 1.232656 lam= -0.188744 E( 4 )= 10.6228 eV Re[Sigma]= -52.132857 meV Im[Sigma]= 458.213597 meV Z= 1.215655 lam= -0.177398 ------------------------------------------------------------------- ik = 5 coord.: 0.4800000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.1632 eV Re[Sigma]= -163.880010 meV Im[Sigma]= 425.913859 meV Z= 1.203953 lam= -0.169403 E( 2 )= -0.3275 eV Re[Sigma]= 30.268493 meV Im[Sigma]= 344.129378 meV Z= 1.143928 lam= -0.125819 E( 3 )= 10.6289 eV Re[Sigma]= -42.492192 meV Im[Sigma]= 492.359520 meV Z= 1.247344 lam= -0.198297 E( 4 )= 10.6289 eV Re[Sigma]= -46.841659 meV Im[Sigma]= 467.577501 meV Z= 1.228879 lam= -0.186250 ------------------------------------------------------------------- ik = 6 coord.: 0.4750000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.2281 eV Re[Sigma]= -183.058103 meV Im[Sigma]= 380.428510 meV Z= 1.169336 lam= -0.144814 E( 2 )= -0.2445 eV Re[Sigma]= 39.817658 meV Im[Sigma]= 294.576717 meV Z= 1.108910 lam= -0.098213 E( 3 )= 10.6367 eV Re[Sigma]= -36.076074 meV Im[Sigma]= 501.963059 meV Z= 1.261497 lam= -0.207291 E( 4 )= 10.6367 eV Re[Sigma]= -41.017355 meV Im[Sigma]= 476.632684 meV Z= 1.241625 lam= -0.194604 ------------------------------------------------------------------- ik = 7 coord.: 0.4700000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.3010 eV Re[Sigma]= -199.264656 meV Im[Sigma]= 335.264331 meV Z= 1.138182 lam= -0.121406 E( 2 )= -0.1496 eV Re[Sigma]= 46.250906 meV Im[Sigma]= 248.272464 meV Z= 1.078387 lam= -0.072689 E( 3 )= 10.6463 eV Re[Sigma]= -29.072213 meV Im[Sigma]= 511.043198 meV Z= 1.274404 lam= -0.215320 E( 4 )= 10.6463 eV Re[Sigma]= -34.680427 meV Im[Sigma]= 485.235332 meV Z= 1.253295 lam= -0.202103 ------------------------------------------------------------------- ik = 8 coord.: 0.4650000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.3799 eV Re[Sigma]= -212.286713 meV Im[Sigma]= 293.125756 meV Z= 1.110514 lam= -0.099516 E( 2 )= -0.0448 eV Re[Sigma]= 49.599677 meV Im[Sigma]= 208.171242 meV Z= 1.053692 lam= -0.050956 E( 3 )= 10.6576 eV Re[Sigma]= -21.531381 meV Im[Sigma]= 519.433311 meV Z= 1.285296 lam= -0.221969 E( 4 )= 10.6576 eV Re[Sigma]= -27.877212 meV Im[Sigma]= 493.244989 meV Z= 1.263253 lam= -0.208393 ------------------------------------------------------------------- ik = 9 coord.: 0.4600000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.4632 eV Re[Sigma]= -222.161321 meV Im[Sigma]= 254.576214 meV Z= 1.084792 lam= -0.078164 E( 2 )= 0.0686 eV Re[Sigma]= 50.356487 meV Im[Sigma]= 174.962098 meV Z= 1.034632 lam= -0.033473 E( 3 )= 10.6706 eV Re[Sigma]= -13.535428 meV Im[Sigma]= 526.976575 meV Z= 1.293456 lam= -0.226878 E( 4 )= 10.6706 eV Re[Sigma]= -20.680577 meV Im[Sigma]= 500.531431 meV Z= 1.270914 lam= -0.213165 ------------------------------------------------------------------- ik = 10 coord.: 0.4550000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.5499 eV Re[Sigma]= -228.879055 meV Im[Sigma]= 219.210780 meV Z= 1.060076 lam= -0.056671 E( 2 )= 0.1891 eV Re[Sigma]= 49.177890 meV Im[Sigma]= 148.070540 meV Z= 1.020390 lam= -0.019982 E( 3 )= 10.6853 eV Re[Sigma]= -5.195517 meV Im[Sigma]= 533.534532 meV Z= 1.298354 lam= -0.229794 E( 4 )= 10.6853 eV Re[Sigma]= -13.187955 meV Im[Sigma]= 506.982344 meV Z= 1.275854 lam= -0.216211 ------------------------------------------------------------------- ik = 11 coord.: 0.4500000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.6391 eV Re[Sigma]= -232.448712 meV Im[Sigma]= 186.611769 meV Z= 1.037202 lam= -0.035867 E( 2 )= 0.3160 eV Re[Sigma]= 46.694382 meV Im[Sigma]= 126.464566 meV Z= 1.009971 lam= -0.009872 E( 3 )= 10.7016 eV Re[Sigma]= 3.355521 meV Im[Sigma]= 538.996270 meV Z= 1.299772 lam= -0.230634 E( 4 )= 10.7016 eV Re[Sigma]= -5.514339 meV Im[Sigma]= 512.510677 meV Z= 1.277908 lam= -0.217471 ------------------------------------------------------------------- ik = 12 coord.: 0.4450000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.7300 eV Re[Sigma]= -233.113475 meV Im[Sigma]= 156.771624 meV Z= 1.017955 lam= -0.017638 E( 2 )= 0.4486 eV Re[Sigma]= 43.402531 meV Im[Sigma]= 109.114218 meV Z= 1.002442 lam= -0.002436 E( 3 )= 10.7196 eV Re[Sigma]= 11.976289 meV Im[Sigma]= 543.286975 meV Z= 1.297871 lam= -0.229507 E( 4 )= 10.7196 eV Re[Sigma]= 2.219550 meV Im[Sigma]= 517.061557 meV Z= 1.277224 lam= -0.217052 ------------------------------------------------------------------- ik = 13 coord.: 0.4400000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.8223 eV Re[Sigma]= -231.418303 meV Im[Sigma]= 130.057175 meV Z= 1.003416 lam= -0.003405 E( 2 )= 0.5863 eV Re[Sigma]= 39.667960 meV Im[Sigma]= 95.152261 meV Z= 0.997027 lam= 0.002982 E( 3 )= 10.7392 eV Re[Sigma]= 20.530796 meV Im[Sigma]= 546.374895 meV Z= 1.293165 lam= -0.226703 E( 4 )= 10.7392 eV Re[Sigma]= 9.899641 meV Im[Sigma]= 520.618084 meV Z= 1.274238 lam= -0.215217 ------------------------------------------------------------------- ik = 14 coord.: 0.4350000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.9156 eV Re[Sigma]= -228.052889 meV Im[Sigma]= 106.946950 meV Z= 0.993408 lam= 0.006636 E( 2 )= 0.7288 eV Re[Sigma]= 35.742535 meV Im[Sigma]= 83.888754 meV Z= 0.993129 lam= 0.006918 E( 3 )= 10.7605 eV Re[Sigma]= 28.902365 meV Im[Sigma]= 548.276446 meV Z= 1.286420 lam= -0.222649 E( 4 )= 10.7605 eV Re[Sigma]= 17.430424 meV Im[Sigma]= 523.204640 meV Z= 1.269588 lam= -0.212343 ------------------------------------------------------------------- ik = 15 coord.: 0.4300000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.0096 eV Re[Sigma]= -223.656938 meV Im[Sigma]= 87.760292 meV Z= 0.987014 lam= 0.013157 E( 2 )= 0.8756 eV Re[Sigma]= 31.790369 meV Im[Sigma]= 74.785266 meV Z= 0.990322 lam= 0.009772 E( 3 )= 10.7833 eV Re[Sigma]= 37.004154 meV Im[Sigma]= 549.058162 meV Z= 1.278499 lam= -0.217833 E( 4 )= 10.7833 eV Re[Sigma]= 24.743729 meV Im[Sigma]= 524.887577 meV Z= 1.263986 lam= -0.208852 ------------------------------------------------------------------- ik = 16 coord.: 0.4250000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.1040 eV Re[Sigma]= -218.721061 meV Im[Sigma]= 72.503963 meV Z= 0.983207 lam= 0.017080 E( 2 )= 1.0267 eV Re[Sigma]= 27.914684 meV Im[Sigma]= 67.430783 meV Z= 0.988315 lam= 0.011823 E( 3 )= 10.8076 eV Re[Sigma]= 44.784355 meV Im[Sigma]= 548.834827 meV Z= 1.270209 lam= -0.212728 E( 4 )= 10.8076 eV Re[Sigma]= 31.802908 meV Im[Sigma]= 525.772894 meV Z= 1.258098 lam= -0.205149 ------------------------------------------------------------------- ik = 17 coord.: 0.4200000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.1987 eV Re[Sigma]= -213.577368 meV Im[Sigma]= 60.863992 meV Z= 0.981150 lam= 0.019213 E( 2 )= 1.1816 eV Re[Sigma]= 24.182394 meV Im[Sigma]= 61.534671 meV Z= 0.986915 lam= 0.013258 E( 3 )= 10.8335 eV Re[Sigma]= 52.226267 meV Im[Sigma]= 547.764250 meV Z= 1.262204 lam= -0.207735 E( 4 )= 10.8335 eV Re[Sigma]= 38.601986 meV Im[Sigma]= 526.000075 meV Z= 1.252456 lam= -0.201569 ------------------------------------------------------------------- ik = 18 coord.: 0.4150000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.2937 eV Re[Sigma]= -208.429673 meV Im[Sigma]= 52.302296 meV Z= 0.980244 lam= 0.020154 E( 2 )= 1.3404 eV Re[Sigma]= 20.646082 meV Im[Sigma]= 56.906681 meV Z= 0.985986 lam= 0.014213 E( 3 )= 10.8608 eV Re[Sigma]= 59.343390 meV Im[Sigma]= 546.037247 meV Z= 1.254933 lam= -0.203145 E( 4 )= 10.8608 eV Re[Sigma]= 45.161696 meV Im[Sigma]= 525.733925 meV Z= 1.247419 lam= -0.198345 ------------------------------------------------------------------- ik = 19 coord.: 0.4100000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.3887 eV Re[Sigma]= -203.400293 meV Im[Sigma]= 46.191279 meV Z= 0.980087 lam= 0.020317 E( 2 )= 1.5028 eV Re[Sigma]= 17.340753 meV Im[Sigma]= 53.297933 meV Z= 0.985406 lam= 0.014810 E( 3 )= 10.8897 eV Re[Sigma]= 66.172052 meV Im[Sigma]= 543.866009 meV Z= 1.248639 lam= -0.199128 E( 4 )= 10.8897 eV Re[Sigma]= 51.521635 meV Im[Sigma]= 525.152466 meV Z= 1.243171 lam= -0.195605 ------------------------------------------------------------------- ik = 20 coord.: 0.4050000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.4838 eV Re[Sigma]= -198.570546 meV Im[Sigma]= 41.929798 meV Z= 0.980408 lam= 0.019983 E( 2 )= 1.6686 eV Re[Sigma]= 14.261607 meV Im[Sigma]= 50.415659 meV Z= 0.985083 lam= 0.015143 E( 3 )= 10.9199 eV Re[Sigma]= 72.762079 meV Im[Sigma]= 541.468987 meV Z= 1.243392 lam= -0.195748 E( 4 )= 10.9199 eV Re[Sigma]= 57.732344 meV Im[Sigma]= 524.434786 meV Z= 1.239749 lam= -0.193385 ------------------------------------------------------------------- ik = 21 coord.: 0.4000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.5788 eV Re[Sigma]= -194.009119 meV Im[Sigma]= 39.012607 meV Z= 0.981018 lam= 0.019349 E( 2 )= 1.8378 eV Re[Sigma]= 11.347919 meV Im[Sigma]= 48.022373 meV Z= 0.984985 lam= 0.015244 E( 3 )= 10.9515 eV Re[Sigma]= 79.168485 meV Im[Sigma]= 539.055873 meV Z= 1.239133 lam= -0.192984 E( 4 )= 10.9515 eV Re[Sigma]= 63.847370 meV Im[Sigma]= 523.747762 meV Z= 1.237083 lam= -0.191647 ------------------------------------------------------------------- ik = 22 coord.: 0.3950000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.6737 eV Re[Sigma]= -189.719065 meV Im[Sigma]= 37.052834 meV Z= 0.981806 lam= 0.018532 E( 2 )= 2.0103 eV Re[Sigma]= 8.610340 meV Im[Sigma]= 46.184353 meV Z= 0.985112 lam= 0.015113 E( 3 )= 10.9845 eV Re[Sigma]= 85.449571 meV Im[Sigma]= 536.812980 meV Z= 1.235717 lam= -0.190753 E( 4 )= 10.9845 eV Re[Sigma]= 69.923141 meV Im[Sigma]= 523.234098 meV Z= 1.235027 lam= -0.190301 ------------------------------------------------------------------- ik = 23 coord.: 0.3900000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.7685 eV Re[Sigma]= -185.679655 meV Im[Sigma]= 35.772575 meV Z= 0.982703 lam= 0.017601 E( 2 )= 2.1858 eV Re[Sigma]= 6.092610 meV Im[Sigma]= 44.895968 meV Z= 0.985447 lam= 0.014768 E( 3 )= 11.0188 eV Re[Sigma]= 91.660361 meV Im[Sigma]= 534.890720 meV Z= 1.232953 lam= -0.188939 E( 4 )= 11.0188 eV Re[Sigma]= 76.013000 meV Im[Sigma]= 523.002523 meV Z= 1.233400 lam= -0.189233 ------------------------------------------------------------------- ik = 24 coord.: 0.3850000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.8631 eV Re[Sigma]= -181.877390 meV Im[Sigma]= 34.979168 meV Z= 0.983661 lam= 0.016610 E( 2 )= 2.3644 eV Re[Sigma]= 3.818395 meV Im[Sigma]= 43.991479 meV Z= 0.985963 lam= 0.014237 E( 3 )= 11.0543 eV Re[Sigma]= 97.847697 meV Im[Sigma]= 533.394517 meV Z= 1.230636 lam= -0.187412 E( 4 )= 11.0543 eV Re[Sigma]= 82.162188 meV Im[Sigma]= 523.120872 meV Z= 1.232012 lam= -0.188320 ------------------------------------------------------------------- ik = 25 coord.: 0.3800000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.9575 eV Re[Sigma]= -178.298681 meV Im[Sigma]= 34.540147 meV Z= 0.984646 lam= 0.015593 E( 2 )= 2.5459 eV Re[Sigma]= 1.803639 meV Im[Sigma]= 43.217648 meV Z= 0.986608 lam= 0.013573 E( 3 )= 11.0911 eV Re[Sigma]= 104.048845 meV Im[Sigma]= 532.379413 meV Z= 1.228567 lam= -0.186044 E( 4 )= 11.0911 eV Re[Sigma]= 88.407461 meV Im[Sigma]= 523.613099 meV Z= 1.230683 lam= -0.187443 ------------------------------------------------------------------- ik = 26 coord.: 0.3750000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.0516 eV Re[Sigma]= -174.928648 meV Im[Sigma]= 34.363092 meV Z= 0.985634 lam= 0.014575 E( 2 )= 2.7301 eV Re[Sigma]= 0.049226 meV Im[Sigma]= 42.278544 meV Z= 0.987244 lam= 0.012921 E( 3 )= 11.1291 eV Re[Sigma]= 110.291693 meV Im[Sigma]= 531.849667 meV Z= 1.226574 lam= -0.184721 E( 4 )= 11.1291 eV Re[Sigma]= 94.776177 meV Im[Sigma]= 524.459485 meV Z= 1.229257 lam= -0.186501 ------------------------------------------------------------------- ik = 27 coord.: 0.3700000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.1455 eV Re[Sigma]= -171.751965 meV Im[Sigma]= 34.381707 meV Z= 0.986610 lam= 0.013572 E( 2 )= 2.9170 eV Re[Sigma]= -1.490692 meV Im[Sigma]= 40.919996 meV Z= 0.987549 lam= 0.012608 E( 3 )= 11.1682 eV Re[Sigma]= 116.593868 meV Im[Sigma]= 531.761754 meV Z= 1.224513 lam= -0.183349 E( 4 )= 11.1682 eV Re[Sigma]= 101.287360 meV Im[Sigma]= 525.601534 meV Z= 1.227611 lam= -0.185410 ------------------------------------------------------------------- ik = 28 coord.: 0.3650000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.2390 eV Re[Sigma]= -168.753611 meV Im[Sigma]= 34.547049 meV Z= 0.987563 lam= 0.012593 E( 2 )= 3.1065 eV Re[Sigma]= -2.955860 meV Im[Sigma]= 39.050940 meV Z= 0.987053 lam= 0.013117 E( 3 )= 11.2084 eV Re[Sigma]= 122.964491 meV Im[Sigma]= 532.032656 meV Z= 1.222277 lam= -0.181855 E( 4 )= 11.2084 eV Re[Sigma]= 107.950706 meV Im[Sigma]= 526.948999 meV Z= 1.225654 lam= -0.184109 ------------------------------------------------------------------- ik = 29 coord.: 0.3600000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.3322 eV Re[Sigma]= -165.919336 meV Im[Sigma]= 34.822243 meV Z= 0.988489 lam= 0.011645 E( 2 )= 3.2984 eV Re[Sigma]= -4.582587 meV Im[Sigma]= 36.842916 meV Z= 0.985540 lam= 0.014672 E( 3 )= 11.2497 eV Re[Sigma]= 129.404078 meV Im[Sigma]= 532.550584 meV Z= 1.219787 lam= -0.180185 E( 4 )= 11.2497 eV Re[Sigma]= 114.767429 meV Im[Sigma]= 528.390780 meV Z= 1.223327 lam= -0.182557 ------------------------------------------------------------------- ik = 30 coord.: 0.3550000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.4250 eV Re[Sigma]= -163.235928 meV Im[Sigma]= 35.179257 meV Z= 0.989383 lam= 0.010731 E( 2 )= 3.4925 eV Re[Sigma]= -6.576856 meV Im[Sigma]= 34.728152 meV Z= 0.983589 lam= 0.016685 E( 3 )= 11.2920 eV Re[Sigma]= 135.905432 meV Im[Sigma]= 533.188640 meV Z= 1.216996 lam= -0.178305 E( 4 )= 11.2920 eV Re[Sigma]= 121.729765 meV Im[Sigma]= 529.807132 meV Z= 1.220598 lam= -0.180729 ------------------------------------------------------------------- ik = 31 coord.: 0.3500000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.5173 eV Re[Sigma]= -160.691345 meV Im[Sigma]= 35.596820 meV Z= 0.990246 lam= 0.009850 E( 2 )= 3.6889 eV Re[Sigma]= -8.936795 meV Im[Sigma]= 33.256510 meV Z= 0.982248 lam= 0.018072 E( 3 )= 11.3352 eV Re[Sigma]= 142.454080 meV Im[Sigma]= 533.818960 meV Z= 1.213880 lam= -0.176195 E( 4 )= 11.3352 eV Re[Sigma]= 128.821047 meV Im[Sigma]= 531.082400 meV Z= 1.217459 lam= -0.178617 ------------------------------------------------------------------- ik = 32 coord.: 0.3450000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.6092 eV Re[Sigma]= -158.274762 meV Im[Sigma]= 36.058940 meV Z= 0.991077 lam= 0.009003 E( 2 )= 3.8873 eV Re[Sigma]= -11.432868 meV Im[Sigma]= 32.862580 meV Z= 0.982188 lam= 0.018135 E( 3 )= 11.3793 eV Re[Sigma]= 149.030767 meV Im[Sigma]= 534.325205 meV Z= 1.210456 lam= -0.173865 E( 4 )= 11.3793 eV Re[Sigma]= 136.016323 meV Im[Sigma]= 532.115549 meV Z= 1.213943 lam= -0.176238 ------------------------------------------------------------------- ik = 33 coord.: 0.3400000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.7005 eV Re[Sigma]= -155.976559 meV Im[Sigma]= 36.553737 meV Z= 0.991879 lam= 0.008187 E( 2 )= 4.0875 eV Re[Sigma]= -13.746344 meV Im[Sigma]= 33.670573 meV Z= 0.983381 lam= 0.016900 E( 3 )= 11.4243 eV Re[Sigma]= 155.615398 meV Im[Sigma]= 534.610053 meV Z= 1.206800 lam= -0.171362 E( 4 )= 11.4243 eV Re[Sigma]= 143.288133 meV Im[Sigma]= 532.826406 meV Z= 1.210140 lam= -0.173649 ------------------------------------------------------------------- ik = 34 coord.: 0.3350000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.7914 eV Re[Sigma]= -153.788246 meV Im[Sigma]= 37.072424 meV Z= 0.992655 lam= 0.007400 E( 2 )= 4.2895 eV Re[Sigma]= -15.635740 meV Im[Sigma]= 35.454310 meV Z= 0.985195 lam= 0.015027 E( 3 )= 11.4701 eV Re[Sigma]= 162.190142 meV Im[Sigma]= 534.595599 meV Z= 1.203047 lam= -0.168777 E( 4 )= 11.4701 eV Re[Sigma]= 150.619488 meV Im[Sigma]= 533.155629 meV Z= 1.206197 lam= -0.170948 ------------------------------------------------------------------- ik = 35 coord.: 0.3300000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.8816 eV Re[Sigma]= -151.701824 meV Im[Sigma]= 37.608325 meV Z= 0.993406 lam= 0.006638 E( 2 )= 4.4931 eV Re[Sigma]= -17.046686 meV Im[Sigma]= 37.769260 meV Z= 0.986799 lam= 0.013377 E( 3 )= 11.5167 eV Re[Sigma]= 157.968060 meV Im[Sigma]= 533.052689 meV Z= 1.202273 lam= -0.168242 E( 4 )= 11.5167 eV Re[Sigma]= 168.786778 meV Im[Sigma]= 534.222420 meV Z= 1.199329 lam= -0.166200 ------------------------------------------------------------------- ik = 36 coord.: 0.3250000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.9711 eV Re[Sigma]= -149.700468 meV Im[Sigma]= 38.155848 meV Z= 0.994141 lam= 0.005893 E( 2 )= 4.6981 eV Re[Sigma]= -18.068157 meV Im[Sigma]= 40.163298 meV Z= 0.987796 lam= 0.012355 E( 3 )= 11.5640 eV Re[Sigma]= 165.374316 meV Im[Sigma]= 532.477829 meV Z= 1.198453 lam= -0.165591 E( 4 )= 11.5640 eV Re[Sigma]= 175.378787 meV Im[Sigma]= 533.426681 meV Z= 1.195741 lam= -0.163699 ------------------------------------------------------------------- ik = 37 coord.: 0.3200000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.0600 eV Re[Sigma]= -147.748056 meV Im[Sigma]= 38.709315 meV Z= 0.994874 lam= 0.005153 E( 2 )= 4.9045 eV Re[Sigma]= -18.791525 meV Im[Sigma]= 42.340186 meV Z= 0.988289 lam= 0.011850 E( 3 )= 11.6119 eV Re[Sigma]= 172.824091 meV Im[Sigma]= 531.375906 meV Z= 1.194780 lam= -0.163026 E( 4 )= 11.6119 eV Re[Sigma]= 182.011867 meV Im[Sigma]= 532.146196 meV Z= 1.192305 lam= -0.161289 ------------------------------------------------------------------- ik = 38 coord.: 0.3150000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.1482 eV Re[Sigma]= -145.902544 meV Im[Sigma]= 39.261604 meV Z= 0.995584 lam= 0.004435 E( 2 )= 5.1119 eV Re[Sigma]= -19.370924 meV Im[Sigma]= 44.207512 meV Z= 0.988549 lam= 0.011584 E( 3 )= 11.6604 eV Re[Sigma]= 180.299193 meV Im[Sigma]= 529.680789 meV Z= 1.191264 lam= -0.160556 E( 4 )= 11.6604 eV Re[Sigma]= 188.677653 meV Im[Sigma]= 530.304657 meV Z= 1.189024 lam= -0.158974 ------------------------------------------------------------------- ik = 39 coord.: 0.3100000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.2355 eV Re[Sigma]= -144.160800 meV Im[Sigma]= 39.802585 meV Z= 0.996275 lam= 0.003739 E( 2 )= 5.3204 eV Re[Sigma]= -19.834523 meV Im[Sigma]= 45.825824 meV Z= 0.988733 lam= 0.011395 E( 3 )= 11.7095 eV Re[Sigma]= 187.791275 meV Im[Sigma]= 527.312744 meV Z= 1.187895 lam= -0.158175 E( 4 )= 11.7095 eV Re[Sigma]= 195.379254 meV Im[Sigma]= 527.814472 meV Z= 1.185882 lam= -0.156746 ------------------------------------------------------------------- ik = 40 coord.: 0.3050000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.3221 eV Re[Sigma]= -142.504148 meV Im[Sigma]= 40.317436 meV Z= 0.996952 lam= 0.003057 E( 2 )= 5.5296 eV Re[Sigma]= -20.167212 meV Im[Sigma]= 47.321552 meV Z= 0.988906 lam= 0.011219 E( 3 )= 11.7590 eV Re[Sigma]= 195.292423 meV Im[Sigma]= 524.183050 meV Z= 1.184650 lam= -0.155869 E( 4 )= 11.7590 eV Re[Sigma]= 202.120436 meV Im[Sigma]= 524.581104 meV Z= 1.182852 lam= -0.154586 ------------------------------------------------------------------- ik = 41 coord.: 0.3000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.4077 eV Re[Sigma]= -140.924732 meV Im[Sigma]= 40.785064 meV Z= 0.997617 lam= 0.002389 E( 2 )= 5.7395 eV Re[Sigma]= -20.356665 meV Im[Sigma]= 48.817676 meV Z= 0.989094 lam= 0.011026 E( 3 )= 11.8091 eV Re[Sigma]= 202.788568 meV Im[Sigma]= 520.200389 meV Z= 1.181485 lam= -0.153607 E( 4 )= 11.8091 eV Re[Sigma]= 208.895602 meV Im[Sigma]= 520.508991 meV Z= 1.179887 lam= -0.152461 ------------------------------------------------------------------- ik = 42 coord.: 0.2950000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.4925 eV Re[Sigma]= -139.416987 meV Im[Sigma]= 41.177009 meV Z= 0.998265 lam= 0.001738 E( 2 )= 5.9499 eV Re[Sigma]= -20.389116 meV Im[Sigma]= 50.402172 meV Z= 0.989309 lam= 0.010806 E( 3 )= 11.8595 eV Re[Sigma]= 210.260547 meV Im[Sigma]= 515.276950 meV Z= 1.178328 lam= -0.151340 E( 4 )= 11.8595 eV Re[Sigma]= 215.691062 meV Im[Sigma]= 515.507339 meV Z= 1.176914 lam= -0.150321 ------------------------------------------------------------------- ik = 43 coord.: 0.2900000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.5762 eV Re[Sigma]= -137.975637 meV Im[Sigma]= 41.457357 meV Z= 0.998888 lam= 0.001113 E( 2 )= 6.1606 eV Re[Sigma]= -20.248990 meV Im[Sigma]= 52.127109 meV Z= 0.989560 lam= 0.010550 E( 3 )= 11.9102 eV Re[Sigma]= 217.682623 meV Im[Sigma]= 509.334166 meV Z= 1.175076 lam= -0.148991 E( 4 )= 11.9102 eV Re[Sigma]= 222.483867 meV Im[Sigma]= 509.495568 meV Z= 1.173829 lam= -0.148087 ------------------------------------------------------------------- ik = 44 coord.: 0.2850000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.6589 eV Re[Sigma]= -136.593918 meV Im[Sigma]= 41.584233 meV Z= 0.999474 lam= 0.000527 E( 2 )= 6.3714 eV Re[Sigma]= -19.917738 meV Im[Sigma]= 54.022347 meV Z= 0.989856 lam= 0.010248 E( 3 )= 11.9612 eV Re[Sigma]= 225.019742 meV Im[Sigma]= 502.309044 meV Z= 1.171585 lam= -0.146455 E( 4 )= 11.9612 eV Re[Sigma]= 229.240488 meV Im[Sigma]= 502.409428 meV Z= 1.170488 lam= -0.145656 ------------------------------------------------------------------- ik = 45 coord.: 0.2800000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.7406 eV Re[Sigma]= -135.262739 meV Im[Sigma]= 41.513291 meV Z= 0.999999 lam= 0.000001 E( 2 )= 6.5822 eV Re[Sigma]= -19.373275 meV Im[Sigma]= 56.110257 meV Z= 0.990209 lam= 0.009888 E( 3 )= 12.0125 eV Re[Sigma]= 232.225273 meV Im[Sigma]= 494.162007 meV Z= 1.167676 lam= -0.143598 E( 4 )= 12.0125 eV Re[Sigma]= 235.913455 meV Im[Sigma]= 494.208585 meV Z= 1.166714 lam= -0.142892 ------------------------------------------------------------------- ik = 46 coord.: 0.2750000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.8211 eV Re[Sigma]= -133.969679 meV Im[Sigma]= 41.203264 meV Z= 1.000431 lam= -0.000431 E( 2 )= 6.7928 eV Re[Sigma]= -18.589597 meV Im[Sigma]= 58.410460 meV Z= 0.990634 lam= 0.009455 E( 3 )= 12.0639 eV Re[Sigma]= 239.237327 meV Im[Sigma]= 484.886061 meV Z= 1.163139 lam= -0.140258 E( 4 )= 12.0639 eV Re[Sigma]= 242.439664 meV Im[Sigma]= 484.885668 meV Z= 1.162298 lam= -0.139635 ------------------------------------------------------------------- ik = 47 coord.: 0.2700000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.9005 eV Re[Sigma]= -132.696865 meV Im[Sigma]= 40.623045 meV Z= 1.000727 lam= -0.000726 E( 2 )= 7.0031 eV Re[Sigma]= -17.538607 meV Im[Sigma]= 60.916681 meV Z= 0.991137 lam= 0.008943 E( 3 )= 12.1154 eV Re[Sigma]= 245.977375 meV Im[Sigma]= 474.516248 meV Z= 1.157757 lam= -0.136261 E( 4 )= 12.1154 eV Re[Sigma]= 248.738180 meV Im[Sigma]= 474.475586 meV Z= 1.157023 lam= -0.135713 ------------------------------------------------------------------- ik = 48 coord.: 0.2650000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.9786 eV Re[Sigma]= -131.419187 meV Im[Sigma]= 39.759145 meV Z= 1.000833 lam= -0.000832 E( 2 )= 7.2127 eV Re[Sigma]= -16.199312 meV Im[Sigma]= 63.513894 meV Z= 0.991689 lam= 0.008381 E( 3 )= 12.1670 eV Re[Sigma]= 252.349948 meV Im[Sigma]= 463.137633 meV Z= 1.151336 lam= -0.131444 E( 4 )= 12.1670 eV Re[Sigma]= 254.710953 meV Im[Sigma]= 463.063429 meV Z= 1.150699 lam= -0.130963 ------------------------------------------------------------------- ik = 49 coord.: 0.2600000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.0555 eV Re[Sigma]= -130.106334 meV Im[Sigma]= 38.621853 meV Z= 1.000696 lam= -0.000696 E( 2 )= 7.4217 eV Re[Sigma]= -14.587024 meV Im[Sigma]= 65.845306 meV Z= 0.992176 lam= 0.007885 E( 3 )= 12.2187 eV Re[Sigma]= 258.245229 meV Im[Sigma]= 450.890080 meV Z= 1.143765 lam= -0.125694 E( 4 )= 12.2187 eV Re[Sigma]= 260.245273 meV Im[Sigma]= 450.789169 meV Z= 1.143214 lam= -0.125273 ------------------------------------------------------------------- ik = 50 coord.: 0.2550000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.1311 eV Re[Sigma]= -128.719150 meV Im[Sigma]= 37.248355 meV Z= 1.000287 lam= -0.000287 E( 2 )= 7.6298 eV Re[Sigma]= -12.806758 meV Im[Sigma]= 67.322999 meV Z= 0.992368 lam= 0.007691 E( 3 )= 12.2703 eV Re[Sigma]= 263.548390 meV Im[Sigma]= 437.968321 meV Z= 1.135070 lam= -0.118997 E( 4 )= 12.2703 eV Re[Sigma]= 265.223426 meV Im[Sigma]= 437.847679 meV Z= 1.134598 lam= -0.118630 ------------------------------------------------------------------- ik = 51 coord.: 0.2500000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.2054 eV Re[Sigma]= -127.221373 meV Im[Sigma]= 35.701484 meV Z= 0.999624 lam= 0.000376 E( 2 )= 7.8368 eV Re[Sigma]= -11.117108 meV Im[Sigma]= 67.544595 meV Z= 0.992039 lam= 0.008025 E( 3 )= 12.3218 eV Re[Sigma]= 268.150717 meV Im[Sigma]= 424.616550 meV Z= 1.125467 lam= -0.111480 E( 4 )= 12.3218 eV Re[Sigma]= 269.533911 meV Im[Sigma]= 424.483273 meV Z= 1.125066 lam= -0.111163 ------------------------------------------------------------------- ik = 52 coord.: 0.2450000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.2783 eV Re[Sigma]= -125.583993 meV Im[Sigma]= 34.063761 meV Z= 0.998795 lam= 0.001207 E( 2 )= 8.0426 eV Re[Sigma]= -9.838911 meV Im[Sigma]= 66.812203 meV Z= 0.991445 lam= 0.008629 E( 3 )= 12.3732 eV Re[Sigma]= 271.967121 meV Im[Sigma]= 411.117498 meV Z= 1.115365 lam= -0.103432 E( 4 )= 12.3732 eV Re[Sigma]= 273.089055 meV Im[Sigma]= 410.978749 meV Z= 1.115029 lam= -0.103162 ------------------------------------------------------------------- ik = 53 coord.: 0.2400000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.3498 eV Re[Sigma]= -123.794094 meV Im[Sigma]= 32.427566 meV Z= 0.997941 lam= 0.002063 E( 2 )= 8.2470 eV Re[Sigma]= -8.987061 meV Im[Sigma]= 65.942569 meV Z= 0.991072 lam= 0.009008 E( 3 )= 12.4244 eV Re[Sigma]= 274.952300 meV Im[Sigma]= 397.776865 meV Z= 1.105310 lam= -0.095276 E( 4 )= 12.4244 eV Re[Sigma]= 275.840956 meV Im[Sigma]= 397.639833 meV Z= 1.105033 lam= -0.095050 ------------------------------------------------------------------- ik = 54 coord.: 0.2350000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.4198 eV Re[Sigma]= -121.864335 meV Im[Sigma]= 30.883391 meV Z= 0.997208 lam= 0.002800 E( 2 )= 8.4498 eV Re[Sigma]= -8.409813 meV Im[Sigma]= 65.483140 meV Z= 0.990178 lam= 0.009920 E( 3 )= 12.4753 eV Re[Sigma]= 277.109116 meV Im[Sigma]= 384.904783 meV Z= 1.095879 lam= -0.087490 E( 4 )= 12.4753 eV Re[Sigma]= 277.790284 meV Im[Sigma]= 384.776574 meV Z= 1.095658 lam= -0.087307 ------------------------------------------------------------------- ik = 55 coord.: 0.2300000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.4884 eV Re[Sigma]= -119.823267 meV Im[Sigma]= 29.508618 meV Z= 0.996691 lam= 0.003320 E( 2 )= 8.6509 eV Re[Sigma]= -8.174515 meV Im[Sigma]= 65.456375 meV Z= 0.988499 lam= 0.011635 E( 3 )= 12.5260 eV Re[Sigma]= 278.490799 meV Im[Sigma]= 372.796358 meV Z= 1.087564 lam= -0.080514 E( 4 )= 12.5260 eV Re[Sigma]= 278.988120 meV Im[Sigma]= 372.683945 meV Z= 1.087395 lam= -0.080371 ------------------------------------------------------------------- ik = 56 coord.: 0.2250000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.5554 eV Re[Sigma]= -117.707000 meV Im[Sigma]= 28.359133 meV Z= 0.996419 lam= 0.003594 E( 2 )= 8.8501 eV Re[Sigma]= -8.345052 meV Im[Sigma]= 65.843424 meV Z= 0.986818 lam= 0.013358 E( 3 )= 12.5763 eV Re[Sigma]= 279.191234 meV Im[Sigma]= 361.713668 meV Z= 1.080687 lam= -0.074662 E( 4 )= 12.5763 eV Re[Sigma]= 279.526431 meV Im[Sigma]= 361.623817 meV Z= 1.080567 lam= -0.074560 ------------------------------------------------------------------- ik = 57 coord.: 0.2200000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.6209 eV Re[Sigma]= -115.554376 meV Im[Sigma]= 27.465222 meV Z= 0.996365 lam= 0.003648 E( 2 )= 9.0473 eV Re[Sigma]= -8.822208 meV Im[Sigma]= 66.944387 meV Z= 0.985760 lam= 0.014446 E( 3 )= 12.6263 eV Re[Sigma]= 279.328100 meV Im[Sigma]= 351.871181 meV Z= 1.075377 lam= -0.070094 E( 4 )= 12.6263 eV Re[Sigma]= 279.521050 meV Im[Sigma]= 351.810418 meV Z= 1.075305 lam= -0.070031 ------------------------------------------------------------------- ik = 58 coord.: 0.2150000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.6849 eV Re[Sigma]= -113.395614 meV Im[Sigma]= 26.832055 meV Z= 0.996483 lam= 0.003530 E( 2 )= 9.2422 eV Re[Sigma]= -9.432691 meV Im[Sigma]= 69.256692 meV Z= 0.985419 lam= 0.014797 E( 3 )= 12.6758 eV Re[Sigma]= 279.027743 meV Im[Sigma]= 343.426126 meV Z= 1.071605 lam= -0.066820 E( 4 )= 12.6758 eV Re[Sigma]= 279.096661 meV Im[Sigma]= 343.400699 meV Z= 1.071577 lam= -0.066796 ------------------------------------------------------------------- ik = 59 coord.: 0.2100000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.7473 eV Re[Sigma]= -111.251621 meV Im[Sigma]= 26.443920 meV Z= 0.996720 lam= 0.003291 E( 2 )= 9.4348 eV Re[Sigma]= -10.023259 meV Im[Sigma]= 73.229290 meV Z= 0.985703 lam= 0.014505 E( 3 )= 12.7249 eV Re[Sigma]= 278.411536 meV Im[Sigma]= 336.474477 meV Z= 1.069229 lam= -0.064747 E( 4 )= 12.7249 eV Re[Sigma]= 278.373090 meV Im[Sigma]= 336.490349 meV Z= 1.069245 lam= -0.064761 ------------------------------------------------------------------- ik = 60 coord.: 0.2050000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.8081 eV Re[Sigma]= -109.139629 meV Im[Sigma]= 26.270693 meV Z= 0.997034 lam= 0.002974 E( 2 )= 9.6249 eV Re[Sigma]= -10.471713 meV Im[Sigma]= 79.160647 meV Z= 0.986605 lam= 0.013577 E( 3 )= 12.7734 eV Re[Sigma]= 277.585958 meV Im[Sigma]= 331.052467 meV Z= 1.068060 lam= -0.063723 E( 4 )= 12.7734 eV Re[Sigma]= 277.455355 meV Im[Sigma]= 331.115325 meV Z= 1.068119 lam= -0.063775 ------------------------------------------------------------------- ik = 61 coord.: 0.2000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.8672 eV Re[Sigma]= -107.069356 meV Im[Sigma]= 26.274849 meV Z= 0.997395 lam= 0.002611 E( 2 )= 9.8124 eV Re[Sigma]= -10.654446 meV Im[Sigma]= 87.200266 meV Z= 0.988283 lam= 0.011855 E( 3 )= 12.8214 eV Re[Sigma]= 276.640230 meV Im[Sigma]= 327.142839 meV Z= 1.067895 lam= -0.063578 E( 4 )= 12.8214 eV Re[Sigma]= 276.431359 meV Im[Sigma]= 327.258105 meV Z= 1.067997 lam= -0.063668 ------------------------------------------------------------------- ik = 62 coord.: 0.1950000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.9248 eV Re[Sigma]= -105.044719 meV Im[Sigma]= 26.417602 meV Z= 0.997782 lam= 0.002223 E( 2 )= 9.9970 eV Re[Sigma]= -10.413779 meV Im[Sigma]= 97.346957 meV Z= 0.991048 lam= 0.009033 E( 3 )= 12.8687 eV Re[Sigma]= 275.646029 meV Im[Sigma]= 324.684550 meV Z= 1.068548 lam= -0.064150 E( 4 )= 12.8687 eV Re[Sigma]= 275.371520 meV Im[Sigma]= 324.857408 meV Z= 1.068693 lam= -0.064277 ------------------------------------------------------------------- ik = 63 coord.: 0.1900000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.9806 eV Re[Sigma]= -103.070610 meV Im[Sigma]= 26.663388 meV Z= 0.998180 lam= 0.001824 E( 2 )= 10.1787 eV Re[Sigma]= -9.540474 meV Im[Sigma]= 109.416180 meV Z= 0.995280 lam= 0.004742 E( 3 )= 12.9154 eV Re[Sigma]= 274.657497 meV Im[Sigma]= 323.584487 meV Z= 1.069857 lam= -0.065296 E( 4 )= 12.9154 eV Re[Sigma]= 274.328827 meV Im[Sigma]= 323.819899 meV Z= 1.070046 lam= -0.065461 ------------------------------------------------------------------- ik = 64 coord.: 0.1850000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.0349 eV Re[Sigma]= -101.148770 meV Im[Sigma]= 26.982428 meV Z= 0.998579 lam= 0.001423 E( 2 )= 10.3573 eV Re[Sigma]= -7.782171 meV Im[Sigma]= 123.014221 meV Z= 1.001230 lam= -0.001228 E( 3 )= 12.9614 eV Re[Sigma]= 273.715090 meV Im[Sigma]= 323.729728 meV Z= 1.071694 lam= -0.066898 E( 4 )= 12.9614 eV Re[Sigma]= 273.342677 meV Im[Sigma]= 324.032439 meV Z= 1.071926 lam= -0.067100 ------------------------------------------------------------------- ik = 65 coord.: 0.1800000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.0875 eV Re[Sigma]= -99.277534 meV Im[Sigma]= 27.351642 meV Z= 0.998976 lam= 0.001025 E( 2 )= 10.5327 eV Re[Sigma]= -4.902438 meV Im[Sigma]= 137.564732 meV Z= 1.008690 lam= -0.008615 E( 3 )= 13.0067 eV Re[Sigma]= 272.848550 meV Im[Sigma]= 324.999162 meV Z= 1.073956 lam= -0.068863 E( 4 )= 13.0067 eV Re[Sigma]= 272.441830 meV Im[Sigma]= 325.373662 meV Z= 1.074233 lam= -0.069103 ------------------------------------------------------------------- ik = 66 coord.: 0.1750000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.1384 eV Re[Sigma]= -97.458301 meV Im[Sigma]= 27.754365 meV Z= 0.999367 lam= 0.000634 E( 2 )= 10.7047 eV Re[Sigma]= -0.786022 meV Im[Sigma]= 152.403081 meV Z= 1.016793 lam= -0.016516 E( 3 )= 13.0512 eV Re[Sigma]= 272.077590 meV Im[Sigma]= 327.273447 meV Z= 1.076566 lam= -0.071120 E( 4 )= 13.0512 eV Re[Sigma]= 271.645045 meV Im[Sigma]= 327.723989 meV Z= 1.076888 lam= -0.071399 ------------------------------------------------------------------- ik = 67 coord.: 0.1700000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.1876 eV Re[Sigma]= -95.690949 meV Im[Sigma]= 28.179403 meV Z= 0.999750 lam= 0.000250 E( 2 )= 10.8733 eV Re[Sigma]= 4.478565 meV Im[Sigma]= 166.916092 meV Z= 1.024289 lam= -0.023713 E( 3 )= 13.0949 eV Re[Sigma]= 271.415191 meV Im[Sigma]= 330.442824 meV Z= 1.079467 lam= -0.073617 E( 4 )= 13.0949 eV Re[Sigma]= 270.964455 meV Im[Sigma]= 330.973330 meV Z= 1.079836 lam= -0.073934 ------------------------------------------------------------------- ik = 68 coord.: 0.1650000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.2352 eV Re[Sigma]= -93.972499 meV Im[Sigma]= 28.619838 meV Z= 1.000126 lam= -0.000126 E( 2 )= 11.0383 eV Re[Sigma]= 10.614050 meV Im[Sigma]= 180.679895 meV Z= 1.030238 lam= -0.029351 E( 3 )= 13.1377 eV Re[Sigma]= 270.869777 meV Im[Sigma]= 334.412278 meV Z= 1.082620 lam= -0.076315 E( 4 )= 13.1377 eV Re[Sigma]= 270.407646 meV Im[Sigma]= 335.026284 meV Z= 1.083036 lam= -0.076670 ------------------------------------------------------------------- ik = 69 coord.: 0.1600000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.2811 eV Re[Sigma]= -92.303777 meV Im[Sigma]= 29.071875 meV Z= 1.000495 lam= -0.000495 E( 2 )= 11.1995 eV Re[Sigma]= 17.260148 meV Im[Sigma]= 193.546062 meV Z= 1.034437 lam= -0.033290 E( 3 )= 13.1797 eV Re[Sigma]= 270.444550 meV Im[Sigma]= 339.104039 meV Z= 1.085997 lam= -0.079187 E( 4 )= 13.1797 eV Re[Sigma]= 269.977033 meV Im[Sigma]= 339.804670 meV Z= 1.086463 lam= -0.079582 ------------------------------------------------------------------- ik = 70 coord.: 0.1550000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.3253 eV Re[Sigma]= -90.684256 meV Im[Sigma]= 29.533888 meV Z= 1.000858 lam= -0.000857 E( 2 )= 11.3569 eV Re[Sigma]= 24.092148 meV Im[Sigma]= 205.645646 meV Z= 1.037312 lam= -0.035970 E( 3 )= 13.2207 eV Re[Sigma]= 270.139847 meV Im[Sigma]= 344.457599 meV Z= 1.089582 lam= -0.082217 E( 4 )= 13.2207 eV Re[Sigma]= 269.672222 meV Im[Sigma]= 345.247510 meV Z= 1.090098 lam= -0.082652 ------------------------------------------------------------------- ik = 71 coord.: 0.1500000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.3679 eV Re[Sigma]= -89.110807 meV Im[Sigma]= 30.005683 meV Z= 1.001215 lam= -0.001214 E( 2 )= 11.5104 eV Re[Sigma]= 30.894733 meV Im[Sigma]= 217.313063 meV Z= 1.039627 lam= -0.038117 E( 3 )= 13.2607 eV Re[Sigma]= 269.954319 meV Im[Sigma]= 350.427554 meV Z= 1.093367 lam= -0.085394 E( 4 )= 13.2607 eV Re[Sigma]= 269.491088 meV Im[Sigma]= 351.308997 meV Z= 1.093936 lam= -0.085870 ------------------------------------------------------------------- ik = 72 coord.: 0.1450000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.4089 eV Re[Sigma]= -87.584610 meV Im[Sigma]= 30.487982 meV Z= 1.001569 lam= -0.001567 E( 2 )= 11.6598 eV Re[Sigma]= 37.587574 meV Im[Sigma]= 228.961635 meV Z= 1.042208 lam= -0.040498 E( 3 )= 13.2998 eV Re[Sigma]= 269.883336 meV Im[Sigma]= 356.980041 meV Z= 1.097353 lam= -0.088716 E( 4 )= 13.2998 eV Re[Sigma]= 269.428325 meV Im[Sigma]= 357.954907 meV Z= 1.097976 lam= -0.089233 ------------------------------------------------------------------- ik = 73 coord.: 0.1400000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.4482 eV Re[Sigma]= -86.104679 meV Im[Sigma]= 30.982080 meV Z= 1.001921 lam= -0.001917 E( 2 )= 11.8051 eV Re[Sigma]= 44.207517 meV Im[Sigma]= 240.956419 meV Z= 1.045666 lam= -0.043672 E( 3 )= 13.3378 eV Re[Sigma]= 269.921177 meV Im[Sigma]= 364.088438 meV Z= 1.101545 lam= -0.092184 E( 4 )= 13.3378 eV Re[Sigma]= 269.477494 meV Im[Sigma]= 365.158452 meV Z= 1.102224 lam= -0.092743 ------------------------------------------------------------------- ik = 74 coord.: 0.1350000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.4859 eV Re[Sigma]= -84.668215 meV Im[Sigma]= 31.489611 meV Z= 1.002272 lam= -0.002267 E( 2 )= 11.9461 eV Re[Sigma]= 50.851929 meV Im[Sigma]= 253.523187 meV Z= 1.050275 lam= -0.047869 E( 3 )= 13.3748 eV Re[Sigma]= 270.061213 meV Im[Sigma]= 371.729363 meV Z= 1.105954 lam= -0.095803 E( 4 )= 13.3748 eV Re[Sigma]= 269.631236 meV Im[Sigma]= 372.896237 meV Z= 1.106691 lam= -0.096405 ------------------------------------------------------------------- ik = 75 coord.: 0.1300000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.5220 eV Re[Sigma]= -83.276998 meV Im[Sigma]= 32.012406 meV Z= 1.002624 lam= -0.002617 E( 2 )= 12.0828 eV Re[Sigma]= 57.620926 meV Im[Sigma]= 266.711874 meV Z= 1.056048 lam= -0.053074 E( 3 )= 13.4107 eV Re[Sigma]= 270.294090 meV Im[Sigma]= 379.879601 meV Z= 1.110596 lam= -0.099583 E( 4 )= 13.4107 eV Re[Sigma]= 269.879532 meV Im[Sigma]= 381.145206 meV Z= 1.111394 lam= -0.100229 ------------------------------------------------------------------- ik = 76 coord.: 0.1250000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.5565 eV Re[Sigma]= -81.929109 meV Im[Sigma]= 32.552388 meV Z= 1.002979 lam= -0.002970 E( 2 )= 12.2150 eV Re[Sigma]= 64.590230 meV Im[Sigma]= 280.410769 meV Z= 1.062883 lam= -0.059163 E( 3 )= 13.4455 eV Re[Sigma]= 270.610202 meV Im[Sigma]= 388.514489 meV Z= 1.115493 lam= -0.103535 E( 4 )= 13.4455 eV Re[Sigma]= 270.212043 meV Im[Sigma]= 389.880999 meV Z= 1.116353 lam= -0.104226 ------------------------------------------------------------------- ik = 77 coord.: 0.1200000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.5895 eV Re[Sigma]= -80.622762 meV Im[Sigma]= 33.111510 meV Z= 1.003339 lam= -0.003328 E( 2 )= 12.3427 eV Re[Sigma]= 71.803049 meV Im[Sigma]= 294.393706 meV Z= 1.070649 lam= -0.065987 E( 3 )= 13.4792 eV Re[Sigma]= 270.998652 meV Im[Sigma]= 397.607933 meV Z= 1.120668 lam= -0.107675 E( 4 )= 13.4792 eV Re[Sigma]= 270.617138 meV Im[Sigma]= 399.077807 meV Z= 1.121594 lam= -0.108412 ------------------------------------------------------------------- ik = 78 coord.: 0.1150000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.6208 eV Re[Sigma]= -79.359877 meV Im[Sigma]= 33.691698 meV Z= 1.003704 lam= -0.003691 E( 2 )= 12.4658 eV Re[Sigma]= 79.271767 meV Im[Sigma]= 308.379272 meV Z= 1.079210 lam= -0.073396 E( 3 )= 13.5116 eV Re[Sigma]= 271.446111 meV Im[Sigma]= 407.133693 meV Z= 1.126150 lam= -0.112018 E( 4 )= 13.5116 eV Re[Sigma]= 271.080814 meV Im[Sigma]= 408.709538 meV Z= 1.127145 lam= -0.112803 ------------------------------------------------------------------- ik = 79 coord.: 0.1100000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.6507 eV Re[Sigma]= -78.137362 meV Im[Sigma]= 34.294817 meV Z= 1.004078 lam= -0.004062 E( 2 )= 12.5842 eV Re[Sigma]= 86.985210 meV Im[Sigma]= 322.085607 meV Z= 1.088425 lam= -0.081241 E( 3 )= 13.5429 eV Re[Sigma]= 271.939423 meV Im[Sigma]= 417.067454 meV Z= 1.131968 lam= -0.116583 E( 4 )= 13.5429 eV Re[Sigma]= 271.589155 meV Im[Sigma]= 418.751746 meV Z= 1.133037 lam= -0.117416 ------------------------------------------------------------------- ik = 80 coord.: 0.1050000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.6790 eV Re[Sigma]= -76.955470 meV Im[Sigma]= 34.922632 meV Z= 1.004461 lam= -0.004441 E( 2 )= 12.6978 eV Re[Sigma]= 94.910212 meV Im[Sigma]= 335.271704 meV Z= 1.098135 lam= -0.089365 E( 3 )= 13.5730 eV Re[Sigma]= 272.463198 meV Im[Sigma]= 427.389020 meV Z= 1.138156 lam= -0.121386 E( 4 )= 13.5730 eV Re[Sigma]= 272.126088 meV Im[Sigma]= 429.183654 meV Z= 1.139302 lam= -0.122269 ------------------------------------------------------------------- ik = 81 coord.: 0.1000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.7058 eV Re[Sigma]= -75.814725 meV Im[Sigma]= 35.576782 meV Z= 1.004854 lam= -0.004831 E( 2 )= 12.8066 eV Re[Sigma]= 102.995650 meV Im[Sigma]= 347.762642 meV Z= 1.108161 lam= -0.097604 E( 3 )= 13.6018 eV Re[Sigma]= 273.000663 meV Im[Sigma]= 438.083967 meV Z= 1.144746 lam= -0.126444 E( 4 )= 13.6018 eV Re[Sigma]= 272.674199 meV Im[Sigma]= 439.989755 meV Z= 1.145973 lam= -0.127379 ------------------------------------------------------------------- ik = 82 coord.: 0.0950000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.7311 eV Re[Sigma]= -74.711951 meV Im[Sigma]= 36.258764 meV Z= 1.005260 lam= -0.005233 E( 2 )= 12.9105 eV Re[Sigma]= 111.176675 meV Im[Sigma]= 359.460231 meV Z= 1.118306 lam= -0.105790 E( 3 )= 13.6293 eV Re[Sigma]= 273.535007 meV Im[Sigma]= 449.144431 meV Z= 1.151769 lam= -0.131770 E( 4 )= 13.6293 eV Re[Sigma]= 273.216033 meV Im[Sigma]= 451.160504 meV Z= 1.153081 lam= -0.132758 ------------------------------------------------------------------- ik = 83 coord.: 0.0900000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.7550 eV Re[Sigma]= -73.649415 meV Im[Sigma]= 36.969912 meV Z= 1.005679 lam= -0.005647 E( 2 )= 13.0095 eV Re[Sigma]= 119.375321 meV Im[Sigma]= 370.342429 meV Z= 1.128365 lam= -0.113762 E( 3 )= 13.6556 eV Re[Sigma]= 274.046732 meV Im[Sigma]= 460.568758 meV Z= 1.159255 lam= -0.137377 E( 4 )= 13.6556 eV Re[Sigma]= 273.731640 meV Im[Sigma]= 462.692087 meV Z= 1.160657 lam= -0.138419 ------------------------------------------------------------------- ik = 84 coord.: 0.0850000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.7774 eV Re[Sigma]= -72.624726 meV Im[Sigma]= 37.711387 meV Z= 1.006113 lam= -0.006076 E( 2 )= 13.1034 eV Re[Sigma]= 127.507206 meV Im[Sigma]= 380.455171 meV Z= 1.138146 lam= -0.121378 E( 3 )= 13.6806 eV Re[Sigma]= 274.516722 meV Im[Sigma]= 472.360268 meV Z= 1.167232 lam= -0.143272 E( 4 )= 13.6806 eV Re[Sigma]= 274.201504 meV Im[Sigma]= 474.585209 meV Z= 1.168726 lam= -0.144368 ------------------------------------------------------------------- ik = 85 coord.: 0.0800000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.7985 eV Re[Sigma]= -71.637414 meV Im[Sigma]= 38.484174 meV Z= 1.006562 lam= -0.006519 E( 2 )= 13.1922 eV Re[Sigma]= 135.483911 meV Im[Sigma]= 389.899896 meV Z= 1.147486 lam= -0.128530 E( 3 )= 13.7042 eV Re[Sigma]= 274.924504 meV Im[Sigma]= 484.525281 meV Z= 1.175725 lam= -0.149461 E( 4 )= 13.7042 eV Re[Sigma]= 274.604944 meV Im[Sigma]= 486.843325 meV Z= 1.177314 lam= -0.150609 ------------------------------------------------------------------- ik = 86 coord.: 0.0750000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.8181 eV Re[Sigma]= -70.688518 meV Im[Sigma]= 39.289081 meV Z= 1.007028 lam= -0.006979 E( 2 )= 13.2760 eV Re[Sigma]= 143.217279 meV Im[Sigma]= 398.819325 meV Z= 1.156277 lam= -0.135156 E( 3 )= 13.7265 eV Re[Sigma]= 275.248368 meV Im[Sigma]= 497.070908 meV Z= 1.184757 lam= -0.155945 E( 4 )= 13.7265 eV Re[Sigma]= 274.920284 meV Im[Sigma]= 499.470549 meV Z= 1.186441 lam= -0.157143 ------------------------------------------------------------------- ik = 87 coord.: 0.0700000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.8363 eV Re[Sigma]= -69.774764 meV Im[Sigma]= 40.126747 meV Z= 1.007511 lam= -0.007455 E( 2 )= 13.3545 eV Re[Sigma]= 150.625013 meV Im[Sigma]= 407.383376 meV Z= 1.164477 lam= -0.141245 E( 3 )= 13.7474 eV Re[Sigma]= 275.467329 meV Im[Sigma]= 510.002875 meV Z= 1.194351 lam= -0.162725 E( 4 )= 13.7474 eV Re[Sigma]= 275.126693 meV Im[Sigma]= 512.469681 meV Z= 1.196127 lam= -0.163968 ------------------------------------------------------------------- ik = 88 coord.: 0.0650000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.8532 eV Re[Sigma]= -68.898922 meV Im[Sigma]= 40.997649 meV Z= 1.008012 lam= -0.007949 E( 2 )= 13.4278 eV Re[Sigma]= 157.630625 meV Im[Sigma]= 415.776427 meV Z= 1.172116 lam= -0.146842 E( 3 )= 13.7669 eV Re[Sigma]= 275.558164 meV Im[Sigma]= 523.323766 meV Z= 1.204528 lam= -0.169799 E( 4 )= 13.7669 eV Re[Sigma]= 275.201459 meV Im[Sigma]= 525.840533 meV Z= 1.206392 lam= -0.171082 ------------------------------------------------------------------- ik = 89 coord.: 0.0600000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.8688 eV Re[Sigma]= -68.058719 meV Im[Sigma]= 41.902119 meV Z= 1.008533 lam= -0.008460 E( 2 )= 13.4958 eV Re[Sigma]= 164.168284 meV Im[Sigma]= 424.186608 meV Z= 1.179298 lam= -0.152038 E( 3 )= 13.7851 eV Re[Sigma]= 275.498904 meV Im[Sigma]= 537.031720 meV Z= 1.215313 lam= -0.177166 E( 4 )= 13.7851 eV Re[Sigma]= 275.123228 meV Im[Sigma]= 539.578845 meV Z= 1.217255 lam= -0.178479 ------------------------------------------------------------------- ik = 90 coord.: 0.0550000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.8830 eV Re[Sigma]= -67.253775 meV Im[Sigma]= 42.840363 meV Z= 1.009072 lam= -0.008991 E( 2 )= 13.5586 eV Re[Sigma]= 170.181409 meV Im[Sigma]= 432.797350 meV Z= 1.186185 lam= -0.156961 E( 3 )= 13.8019 eV Re[Sigma]= 275.267157 meV Im[Sigma]= 551.119796 meV Z= 1.226727 lam= -0.184823 E( 4 )= 13.8019 eV Re[Sigma]= 274.870426 meV Im[Sigma]= 553.675693 meV Z= 1.228736 lam= -0.186155 ------------------------------------------------------------------- ik = 91 coord.: 0.0500000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.8960 eV Re[Sigma]= -66.483240 meV Im[Sigma]= 43.812483 meV Z= 1.009632 lam= -0.009540 E( 2 )= 13.6160 eV Re[Sigma]= 175.622169 meV Im[Sigma]= 441.781119 meV Z= 1.192984 lam= -0.161766 E( 3 )= 13.8172 eV Re[Sigma]= 274.841034 meV Im[Sigma]= 565.575905 meV Z= 1.238796 lam= -0.192764 E( 4 )= 13.8172 eV Re[Sigma]= 274.422124 meV Im[Sigma]= 568.117388 meV Z= 1.240854 lam= -0.194103 ------------------------------------------------------------------- ik = 92 coord.: 0.0450000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9076 eV Re[Sigma]= -65.746016 meV Im[Sigma]= 44.818501 meV Z= 1.010212 lam= -0.010109 E( 2 )= 13.6680 eV Re[Sigma]= 180.449608 meV Im[Sigma]= 451.295021 meV Z= 1.199931 lam= -0.166619 E( 3 )= 13.8311 eV Re[Sigma]= 274.199528 meV Im[Sigma]= 580.383069 meV Z= 1.251540 lam= -0.200984 E( 4 )= 13.8311 eV Re[Sigma]= 273.758334 meV Im[Sigma]= 582.885887 meV Z= 1.253629 lam= -0.202316 ------------------------------------------------------------------- ik = 93 coord.: 0.0400000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9180 eV Re[Sigma]= -65.042377 meV Im[Sigma]= 45.858383 meV Z= 1.010814 lam= -0.010698 E( 2 )= 13.7146 eV Re[Sigma]= 184.626615 meV Im[Sigma]= 461.477877 meV Z= 1.207273 lam= -0.171687 E( 3 )= 13.8436 eV Re[Sigma]= 273.322309 meV Im[Sigma]= 595.520147 meV Z= 1.264982 lam= -0.209475 E( 4 )= 13.8436 eV Re[Sigma]= 272.859828 meV Im[Sigma]= 597.959321 meV Z= 1.267080 lam= -0.210784 ------------------------------------------------------------------- ik = 94 coord.: 0.0350000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9272 eV Re[Sigma]= -64.370012 meV Im[Sigma]= 46.932066 meV Z= 1.011437 lam= -0.011307 E( 2 )= 13.7558 eV Re[Sigma]= 188.118028 meV Im[Sigma]= 472.448275 meV Z= 1.215256 lam= -0.177128 E( 3 )= 13.8546 eV Re[Sigma]= 272.191170 meV Im[Sigma]= 610.962482 meV Z= 1.279139 lam= -0.218224 E( 4 )= 13.8546 eV Re[Sigma]= 271.709392 meV Im[Sigma]= 613.312849 meV Z= 1.281221 lam= -0.219494 ------------------------------------------------------------------- ik = 95 coord.: 0.0300000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9350 eV Re[Sigma]= -63.726448 meV Im[Sigma]= 48.039484 meV Z= 1.012083 lam= -0.011939 E( 2 )= 13.7916 eV Re[Sigma]= 190.887218 meV Im[Sigma]= 484.303158 meV Z= 1.224115 lam= -0.183083 E( 3 )= 13.8642 eV Re[Sigma]= 270.788924 meV Im[Sigma]= 626.682834 meV Z= 1.294029 lam= -0.227220 E( 4 )= 13.8642 eV Re[Sigma]= 270.290845 meV Im[Sigma]= 628.919301 meV Z= 1.296067 lam= -0.228435 ------------------------------------------------------------------- ik = 96 coord.: 0.0250000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9417 eV Re[Sigma]= -63.111935 meV Im[Sigma]= 49.180589 meV Z= 1.012752 lam= -0.012591 E( 2 )= 13.8218 eV Re[Sigma]= 192.892172 meV Im[Sigma]= 497.116500 meV Z= 1.234070 lam= -0.189673 E( 3 )= 13.8723 eV Re[Sigma]= 269.100440 meV Im[Sigma]= 642.652088 meV Z= 1.309664 lam= -0.236445 E( 4 )= 13.8723 eV Re[Sigma]= 268.589901 meV Im[Sigma]= 644.749847 meV Z= 1.311630 lam= -0.237590 ------------------------------------------------------------------- ik = 97 coord.: 0.0200000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9471 eV Re[Sigma]= -62.527809 meV Im[Sigma]= 50.355373 meV Z= 1.013444 lam= -0.013265 E( 2 )= 13.8466 eV Re[Sigma]= 194.084048 meV Im[Sigma]= 510.937715 meV Z= 1.245317 lam= -0.196992 E( 3 )= 13.8789 eV Re[Sigma]= 267.111610 meV Im[Sigma]= 658.839717 meV Z= 1.326056 lam= -0.245884 E( 4 )= 13.8789 eV Re[Sigma]= 266.593197 meV Im[Sigma]= 660.774647 meV Z= 1.327920 lam= -0.246943 ------------------------------------------------------------------- ik = 98 coord.: 0.0150000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9513 eV Re[Sigma]= -61.971562 meV Im[Sigma]= 51.563884 meV Z= 1.014159 lam= -0.013962 E( 2 )= 13.8659 eV Re[Sigma]= 194.406484 meV Im[Sigma]= 525.789479 meV Z= 1.258027 lam= -0.205104 E( 3 )= 13.8841 eV Re[Sigma]= 264.810994 meV Im[Sigma]= 675.214250 meV Z= 1.343213 lam= -0.255516 E( 4 )= 13.8841 eV Re[Sigma]= 264.289786 meV Im[Sigma]= 676.963117 meV Z= 1.344943 lam= -0.256474 ------------------------------------------------------------------- ik = 99 coord.: 0.0100000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9544 eV Re[Sigma]= -61.443566 meV Im[Sigma]= 52.806239 meV Z= 1.014899 lam= -0.014680 E( 2 )= 13.8797 eV Re[Sigma]= 193.792594 meV Im[Sigma]= 541.664739 meV Z= 1.272330 lam= -0.214041 E( 3 )= 13.8878 eV Re[Sigma]= 262.188002 meV Im[Sigma]= 691.743325 meV Z= 1.361139 lam= -0.265321 E( 4 )= 13.8878 eV Re[Sigma]= 261.669324 meV Im[Sigma]= 693.284226 meV Z= 1.362704 lam= -0.266165 ------------------------------------------------------------------- ik = 100 coord.: 0.0050000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9562 eV Re[Sigma]= -60.941288 meV Im[Sigma]= 54.082627 meV Z= 1.015663 lam= -0.015421 E( 2 )= 13.8880 eV Re[Sigma]= 192.165965 meV Im[Sigma]= 558.522750 meV Z= 1.288311 lam= -0.223790 E( 3 )= 13.8900 eV Re[Sigma]= 259.234983 meV Im[Sigma]= 708.392649 meV Z= 1.379832 lam= -0.275274 E( 4 )= 13.8900 eV Re[Sigma]= 258.723051 meV Im[Sigma]= 709.707503 meV Z= 1.381201 lam= -0.275993 ------------------------------------------------------------------- ik = 101 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9568 eV Re[Sigma]= -60.464742 meV Im[Sigma]= 55.393313 meV Z= 1.016452 lam= -0.016186 E( 2 )= 13.8908 eV Re[Sigma]= 251.611520 meV Im[Sigma]= 708.186706 meV Z= 1.386588 lam= -0.278805 E( 3 )= 13.8908 eV Re[Sigma]= 220.482626 meV Im[Sigma]= 653.342890 meV Z= 1.354135 lam= -0.261521 E( 4 )= 13.8908 eV Re[Sigma]= 228.733399 meV Im[Sigma]= 666.083127 meV Z= 1.361005 lam= -0.265249 ------------------------------------------------------------------- ik = 102 coord.: 0.0050000 0.0050000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9560 eV Re[Sigma]= -61.038238 meV Im[Sigma]= 53.886859 meV Z= 1.015547 lam= -0.015309 E( 2 )= 13.8889 eV Re[Sigma]= 228.437635 meV Im[Sigma]= 660.997116 meV Z= 1.353146 lam= -0.260981 E( 3 )= 13.8889 eV Re[Sigma]= 257.371369 meV Im[Sigma]= 687.304516 meV Z= 1.361890 lam= -0.265727 E( 4 )= 13.8889 eV Re[Sigma]= 225.088792 meV Im[Sigma]= 621.214031 meV Z= 1.323015 lam= -0.244151 ------------------------------------------------------------------- ik = 103 coord.: 0.0100000 0.0100000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9536 eV Re[Sigma]= -61.665851 meV Im[Sigma]= 52.428173 meV Z= 1.014676 lam= -0.014463 E( 2 )= 13.8831 eV Re[Sigma]= 231.300727 meV Im[Sigma]= 642.430509 meV Z= 1.333203 lam= -0.249927 E( 3 )= 13.8833 eV Re[Sigma]= 260.429889 meV Im[Sigma]= 665.620830 meV Z= 1.338625 lam= -0.252965 E( 4 )= 13.8833 eV Re[Sigma]= 227.104034 meV Im[Sigma]= 604.265314 meV Z= 1.306040 lam= -0.234327 ------------------------------------------------------------------- ik = 104 coord.: 0.0150000 0.0150000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9495 eV Re[Sigma]= -62.349967 meV Im[Sigma]= 51.016384 meV Z= 1.013838 lam= -0.013649 E( 2 )= 13.8735 eV Re[Sigma]= 233.466183 meV Im[Sigma]= 624.376366 meV Z= 1.314696 lam= -0.239368 E( 3 )= 13.8740 eV Re[Sigma]= 262.803017 meV Im[Sigma]= 644.301909 meV Z= 1.316894 lam= -0.240637 E( 4 )= 13.8740 eV Re[Sigma]= 228.549752 meV Im[Sigma]= 587.566931 meV Z= 1.290055 lam= -0.224839 ------------------------------------------------------------------- ik = 105 coord.: 0.0200000 0.0200000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9439 eV Re[Sigma]= -63.091369 meV Im[Sigma]= 49.650487 meV Z= 1.013032 lam= -0.012864 E( 2 )= 13.8600 eV Re[Sigma]= 234.994740 meV Im[Sigma]= 606.891038 meV Z= 1.297599 lam= -0.229346 E( 3 )= 13.8610 eV Re[Sigma]= 264.547979 meV Im[Sigma]= 623.411500 meV Z= 1.296669 lam= -0.228793 E( 4 )= 13.8610 eV Re[Sigma]= 229.484500 meV Im[Sigma]= 571.176731 meV Z= 1.275061 lam= -0.215724 ------------------------------------------------------------------- ik = 106 coord.: 0.0250000 0.0250000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9367 eV Re[Sigma]= -63.891854 meV Im[Sigma]= 48.329382 meV Z= 1.012257 lam= -0.012108 E( 2 )= 13.8427 eV Re[Sigma]= 235.943831 meV Im[Sigma]= 590.015423 meV Z= 1.281864 lam= -0.219886 E( 3 )= 13.8443 eV Re[Sigma]= 265.723653 meV Im[Sigma]= 603.005200 meV Z= 1.277894 lam= -0.217462 E( 4 )= 13.8443 eV Re[Sigma]= 229.960633 meV Im[Sigma]= 555.131432 meV Z= 1.261032 lam= -0.206999 ------------------------------------------------------------------- ik = 107 coord.: 0.0300000 0.0300000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9278 eV Re[Sigma]= -64.752833 meV Im[Sigma]= 47.051892 meV Z= 1.011511 lam= -0.011380 E( 2 )= 13.8216 eV Re[Sigma]= 236.367427 meV Im[Sigma]= 573.777234 meV Z= 1.267422 lam= -0.210997 E( 3 )= 13.8239 eV Re[Sigma]= 266.387292 meV Im[Sigma]= 583.126024 meV Z= 1.260497 lam= -0.206662 E( 4 )= 13.8239 eV Re[Sigma]= 230.027025 meV Im[Sigma]= 539.455238 meV Z= 1.247925 lam= -0.198670 ------------------------------------------------------------------- ik = 108 coord.: 0.0350000 0.0350000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9174 eV Re[Sigma]= -65.677358 meV Im[Sigma]= 45.816793 meV Z= 1.010792 lam= -0.010677 E( 2 )= 13.7966 eV Re[Sigma]= 236.315936 meV Im[Sigma]= 558.193104 meV Z= 1.254196 lam= -0.202677 E( 3 )= 13.7998 eV Re[Sigma]= 266.592525 meV Im[Sigma]= 563.805174 meV Z= 1.244397 lam= -0.196398 E( 4 )= 13.7998 eV Re[Sigma]= 229.728438 meV Im[Sigma]= 524.162927 meV Z= 1.235688 lam= -0.190734 ------------------------------------------------------------------- ik = 109 coord.: 0.0400000 0.0400000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.9052 eV Re[Sigma]= -66.664813 meV Im[Sigma]= 44.622833 meV Z= 1.010100 lam= -0.009999 E( 2 )= 13.7679 eV Re[Sigma]= 235.835788 meV Im[Sigma]= 543.270491 meV Z= 1.242106 lam= -0.194915 E( 3 )= 13.7721 eV Re[Sigma]= 266.392287 meV Im[Sigma]= 545.063672 meV Z= 1.229503 lam= -0.186663 E( 4 )= 13.7721 eV Re[Sigma]= 229.108515 meV Im[Sigma]= 509.261730 meV Z= 1.224261 lam= -0.183180 ------------------------------------------------------------------- ik = 110 coord.: 0.0450000 0.0450000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.8914 eV Re[Sigma]= -67.714541 meV Im[Sigma]= 43.468740 meV Z= 1.009434 lam= -0.009345 E( 2 )= 13.7353 eV Re[Sigma]= 234.970059 meV Im[Sigma]= 529.009352 meV Z= 1.231068 lam= -0.187697 E( 3 )= 13.7408 eV Re[Sigma]= 265.835814 meV Im[Sigma]= 526.913913 meV Z= 1.215728 lam= -0.177448 E( 4 )= 13.7408 eV Re[Sigma]= 228.207386 meV Im[Sigma]= 494.752916 meV Z= 1.213584 lam= -0.175995 ------------------------------------------------------------------- ik = 111 coord.: 0.0500000 0.0500000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.8760 eV Re[Sigma]= -68.826197 meV Im[Sigma]= 42.353244 meV Z= 1.008791 lam= -0.008714 E( 2 )= 13.6990 eV Re[Sigma]= 233.758255 meV Im[Sigma]= 515.403630 meV Z= 1.221003 lam= -0.181001 E( 3 )= 13.7060 eV Re[Sigma]= 264.969201 meV Im[Sigma]= 509.361158 meV Z= 1.202984 lam= -0.168734 E( 4 )= 13.7060 eV Re[Sigma]= 227.062088 meV Im[Sigma]= 480.633060 meV Z= 1.203598 lam= -0.169158 ------------------------------------------------------------------- ik = 112 coord.: 0.0550000 0.0550000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.8588 eV Re[Sigma]= -69.999712 meV Im[Sigma]= 41.275081 meV Z= 1.008171 lam= -0.008104 E( 2 )= 13.6590 eV Re[Sigma]= 232.236496 meV Im[Sigma]= 502.442532 meV Z= 1.211833 lam= -0.174804 E( 3 )= 13.6676 eV Re[Sigma]= 263.835600 meV Im[Sigma]= 492.404802 meV Z= 1.191185 lam= -0.160500 E( 4 )= 13.6676 eV Re[Sigma]= 225.706863 meV Im[Sigma]= 466.895196 meV Z= 1.194245 lam= -0.162651 ------------------------------------------------------------------- ik = 113 coord.: 0.0600000 0.0600000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.8400 eV Re[Sigma]= -71.237025 meV Im[Sigma]= 40.233004 meV Z= 1.007571 lam= -0.007515 E( 2 )= 13.6152 eV Re[Sigma]= 230.437400 meV Im[Sigma]= 490.111645 meV Z= 1.203485 lam= -0.169080 E( 3 )= 13.6257 eV Re[Sigma]= 262.475151 meV Im[Sigma]= 476.039546 meV Z= 1.180252 lam= -0.152723 E( 4 )= 13.6257 eV Re[Sigma]= 224.172858 meV Im[Sigma]= 453.529718 meV Z= 1.185467 lam= -0.156451 ------------------------------------------------------------------- ik = 114 coord.: 0.0650000 0.0650000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.8195 eV Re[Sigma]= -72.538388 meV Im[Sigma]= 39.225788 meV Z= 1.006992 lam= -0.006943 E( 2 )= 13.5676 eV Re[Sigma]= 228.390910 meV Im[Sigma]= 478.393888 meV Z= 1.195891 lam= -0.163803 E( 3 )= 13.5804 eV Re[Sigma]= 260.925472 meV Im[Sigma]= 460.256383 meV Z= 1.170109 lam= -0.145379 E( 4 )= 13.5804 eV Re[Sigma]= 222.489164 meV Im[Sigma]= 440.525180 meV Z= 1.177215 lam= -0.150537 ------------------------------------------------------------------- ik = 115 coord.: 0.0700000 0.0700000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.7972 eV Re[Sigma]= -73.903955 meV Im[Sigma]= 38.252236 meV Z= 1.006431 lam= -0.006390 E( 2 )= 13.5164 eV Re[Sigma]= 226.124285 meV Im[Sigma]= 467.270346 meV Z= 1.188987 lam= -0.158948 E( 3 )= 13.5317 eV Re[Sigma]= 259.221680 meV Im[Sigma]= 445.043478 meV Z= 1.160686 lam= -0.138441 E( 4 )= 13.5317 eV Re[Sigma]= 220.682667 meV Im[Sigma]= 427.868928 meV Z= 1.169437 lam= -0.144888 ------------------------------------------------------------------- ik = 116 coord.: 0.0750000 0.0750000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.7731 eV Re[Sigma]= -75.333584 meV Im[Sigma]= 37.311179 meV Z= 1.005886 lam= -0.005852 E( 2 )= 13.4615 eV Re[Sigma]= 223.662321 meV Im[Sigma]= 456.720980 meV Z= 1.182714 lam= -0.154487 E( 3 )= 13.4797 eV Re[Sigma]= 257.396520 meV Im[Sigma]= 430.386927 meV Z= 1.151917 lam= -0.131882 E( 4 )= 13.4797 eV Re[Sigma]= 218.778243 meV Im[Sigma]= 415.547637 meV Z= 1.162089 lam= -0.139481 ------------------------------------------------------------------- ik = 117 coord.: 0.0800000 0.0800000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.7473 eV Re[Sigma]= -76.827229 meV Im[Sigma]= 36.401484 meV Z= 1.005358 lam= -0.005330 E( 2 )= 13.4030 eV Re[Sigma]= 221.027520 meV Im[Sigma]= 446.725266 meV Z= 1.177018 lam= -0.150395 E( 3 )= 13.4244 eV Re[Sigma]= 255.480541 meV Im[Sigma]= 416.271449 meV Z= 1.143742 lam= -0.125677 E( 4 )= 13.4244 eV Re[Sigma]= 216.798821 meV Im[Sigma]= 403.547715 meV Z= 1.155130 lam= -0.134296 ------------------------------------------------------------------- ik = 118 coord.: 0.0850000 0.0850000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.7197 eV Re[Sigma]= -78.384347 meV Im[Sigma]= 35.522051 meV Z= 1.004844 lam= -0.004821 E( 2 )= 13.3408 eV Re[Sigma]= 218.240364 meV Im[Sigma]= 437.262773 meV Z= 1.171849 lam= -0.146647 E( 3 )= 13.3658 eV Re[Sigma]= 253.502223 meV Im[Sigma]= 402.680965 meV Z= 1.136106 lam= -0.119800 E( 4 )= 13.3658 eV Re[Sigma]= 214.765716 meV Im[Sigma]= 391.855677 meV Z= 1.148520 lam= -0.129314 ------------------------------------------------------------------- ik = 119 coord.: 0.0900000 0.0900000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.6903 eV Re[Sigma]= -80.005019 meV Im[Sigma]= 34.671815 meV Z= 1.004344 lam= -0.004325 E( 2 )= 13.2751 eV Re[Sigma]= 215.319321 meV Im[Sigma]= 428.313718 meV Z= 1.167161 lam= -0.143220 E( 3 )= 13.3041 eV Re[Sigma]= 251.488055 meV Im[Sigma]= 389.599193 meV Z= 1.128957 lam= -0.114226 E( 4 )= 13.3041 eV Re[Sigma]= 212.698482 meV Im[Sigma]= 380.458390 meV Z= 1.142225 lam= -0.124516 ------------------------------------------------------------------- ik = 120 coord.: 0.0950000 0.0950000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.6590 eV Re[Sigma]= -81.688449 meV Im[Sigma]= 33.849747 meV Z= 1.003856 lam= -0.003842 E( 2 )= 13.2058 eV Re[Sigma]= 212.281259 meV Im[Sigma]= 419.859528 meV Z= 1.162914 lam= -0.140091 E( 3 )= 13.2393 eV Re[Sigma]= 249.462809 meV Im[Sigma]= 377.010198 meV Z= 1.122247 lam= -0.108931 E( 4 )= 13.2393 eV Re[Sigma]= 210.615382 meV Im[Sigma]= 369.343312 meV Z= 1.136214 lam= -0.119884 ------------------------------------------------------------------- ik = 121 coord.: 0.1000000 0.1000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.6258 eV Re[Sigma]= -83.434528 meV Im[Sigma]= 33.054852 meV Z= 1.003380 lam= -0.003369 E( 2 )= 13.1330 eV Re[Sigma]= 209.141314 meV Im[Sigma]= 411.883458 meV Z= 1.159069 lam= -0.137239 E( 3 )= 13.1714 eV Re[Sigma]= 247.449447 meV Im[Sigma]= 364.898962 meV Z= 1.115935 lam= -0.103891 E( 4 )= 13.1714 eV Re[Sigma]= 208.533183 meV Im[Sigma]= 358.498667 meV Z= 1.130455 lam= -0.115401 ------------------------------------------------------------------- ik = 122 coord.: 0.1050000 0.1050000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.5908 eV Re[Sigma]= -85.242619 meV Im[Sigma]= 32.286172 meV Z= 1.002914 lam= -0.002906 E( 2 )= 13.0567 eV Re[Sigma]= 205.913237 meV Im[Sigma]= 404.371301 meV Z= 1.155592 lam= -0.134643 E( 3 )= 13.1006 eV Re[Sigma]= 245.469403 meV Im[Sigma]= 353.252029 meV Z= 1.109981 lam= -0.099084 E( 4 )= 13.1006 eV Re[Sigma]= 206.467496 meV Im[Sigma]= 347.913598 meV Z= 1.124924 lam= -0.111051 ------------------------------------------------------------------- ik = 123 coord.: 0.1100000 0.1100000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.5539 eV Re[Sigma]= -87.112043 meV Im[Sigma]= 31.542780 meV Z= 1.002457 lam= -0.002451 E( 2 )= 12.9770 eV Re[Sigma]= 202.609383 meV Im[Sigma]= 397.312242 meV Z= 1.152452 lam= -0.132285 E( 3 )= 13.0270 eV Re[Sigma]= 243.542563 meV Im[Sigma]= 342.058211 meV Z= 1.104349 lam= -0.094489 E( 4 )= 13.0270 eV Re[Sigma]= 204.432788 meV Im[Sigma]= 337.578309 meV Z= 1.119596 lam= -0.106820 ------------------------------------------------------------------- ik = 124 coord.: 0.1150000 0.1150000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.5150 eV Re[Sigma]= -89.042175 meV Im[Sigma]= 30.823784 meV Z= 1.002009 lam= -0.002005 E( 2 )= 12.8939 eV Re[Sigma]= 199.240773 meV Im[Sigma]= 390.699899 meV Z= 1.149620 lam= -0.130147 E( 3 )= 12.9505 eV Re[Sigma]= 241.687326 meV Im[Sigma]= 331.309413 meV Z= 1.099006 lam= -0.090087 E( 4 )= 12.9505 eV Re[Sigma]= 202.442439 meV Im[Sigma]= 327.484195 meV Z= 1.114448 lam= -0.102695 ------------------------------------------------------------------- ik = 125 coord.: 0.1200000 0.1200000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.4742 eV Re[Sigma]= -91.032061 meV Im[Sigma]= 30.128323 meV Z= 1.001568 lam= -0.001566 E( 2 )= 12.8074 eV Re[Sigma]= 195.817174 meV Im[Sigma]= 384.533565 meV Z= 1.147072 lam= -0.128215 E( 3 )= 12.8713 eV Re[Sigma]= 239.920659 meV Im[Sigma]= 321.001583 meV Z= 1.093923 lam= -0.085859 E( 4 )= 12.8713 eV Re[Sigma]= 200.508914 meV Im[Sigma]= 317.623974 meV Z= 1.109462 lam= -0.098662 ------------------------------------------------------------------- ik = 126 coord.: 0.1250000 0.1250000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.4314 eV Re[Sigma]= -93.080671 meV Im[Sigma]= 29.455564 meV Z= 1.001134 lam= -0.001133 E( 2 )= 12.7176 eV Re[Sigma]= 192.347028 meV Im[Sigma]= 378.819642 meV Z= 1.144786 lam= -0.126474 E( 3 )= 12.7895 eV Re[Sigma]= 238.258079 meV Im[Sigma]= 311.135758 meV Z= 1.089076 lam= -0.081790 E( 4 )= 12.7895 eV Re[Sigma]= 198.643761 meV Im[Sigma]= 307.991827 meV Z= 1.104619 lam= -0.094710 ------------------------------------------------------------------- ik = 127 coord.: 0.1300000 0.1300000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.3866 eV Re[Sigma]= -95.188068 meV Im[Sigma]= 28.804707 meV Z= 1.000705 lam= -0.000705 E( 2 )= 12.6245 eV Re[Sigma]= 188.837180 meV Im[Sigma]= 373.573167 meV Z= 1.142745 lam= -0.124914 E( 3 )= 12.7051 eV Re[Sigma]= 236.713509 meV Im[Sigma]= 301.719161 meV Z= 1.084441 lam= -0.077866 E( 4 )= 12.7051 eV Re[Sigma]= 196.857440 meV Im[Sigma]= 298.583524 meV Z= 1.099902 lam= -0.090828 ------------------------------------------------------------------- ik = 128 coord.: 0.1350000 0.1350000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.3398 eV Re[Sigma]= -97.357077 meV Im[Sigma]= 28.174977 meV Z= 1.000280 lam= -0.000280 E( 2 )= 12.5282 eV Re[Sigma]= 185.292439 meV Im[Sigma]= 368.819228 meV Z= 1.140936 lam= -0.123527 E( 3 )= 12.6183 eV Re[Sigma]= 235.299071 meV Im[Sigma]= 292.766217 meV Z= 1.080000 lam= -0.074074 E( 4 )= 12.6183 eV Re[Sigma]= 195.158989 meV Im[Sigma]= 289.396544 meV Z= 1.095297 lam= -0.087006 ------------------------------------------------------------------- ik = 129 coord.: 0.1400000 0.1400000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.2909 eV Re[Sigma]= -99.589042 meV Im[Sigma]= 27.565626 meV Z= 0.999856 lam= 0.000144 E( 2 )= 12.4288 eV Re[Sigma]= 181.715789 meV Im[Sigma]= 364.593934 meV Z= 1.139352 lam= -0.122308 E( 3 )= 12.5291 eV Re[Sigma]= 234.025194 meV Im[Sigma]= 284.299299 meV Z= 1.075741 lam= -0.070408 E( 4 )= 12.5291 eV Re[Sigma]= 193.556962 meV Im[Sigma]= 280.430145 meV Z= 1.090792 lam= -0.083235 ------------------------------------------------------------------- ik = 130 coord.: 0.1450000 0.1450000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.2400 eV Re[Sigma]= -101.881645 meV Im[Sigma]= 26.975930 meV Z= 0.999434 lam= 0.000566 E( 2 )= 12.3262 eV Re[Sigma]= 178.108132 meV Im[Sigma]= 360.944435 meV Z= 1.137994 lam= -0.121261 E( 3 )= 12.4376 eV Re[Sigma]= 232.900478 meV Im[Sigma]= 276.348932 meV Z= 1.071654 lam= -0.066863 E( 4 )= 12.4376 eV Re[Sigma]= 192.059951 meV Im[Sigma]= 271.685352 meV Z= 1.086376 lam= -0.079508 ------------------------------------------------------------------- ik = 131 coord.: 0.1500000 0.1500000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.1870 eV Re[Sigma]= -104.232973 meV Im[Sigma]= 26.405192 meV Z= 0.999012 lam= 0.000989 E( 2 )= 12.2205 eV Re[Sigma]= 174.466842 meV Im[Sigma]= 357.927350 meV Z= 1.136874 lam= -0.120395 E( 3 )= 12.3439 eV Re[Sigma]= 231.930995 meV Im[Sigma]= 268.953118 meV Z= 1.067740 lam= -0.063442 E( 4 )= 12.3439 eV Re[Sigma]= 190.675713 meV Im[Sigma]= 263.164814 meV Z= 1.082038 lam= -0.075818 ------------------------------------------------------------------- ik = 132 coord.: 0.1550000 0.1550000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.1320 eV Re[Sigma]= -106.642185 meV Im[Sigma]= 25.852737 meV Z= 0.998590 lam= 0.001412 E( 2 )= 12.1119 eV Re[Sigma]= 170.784395 meV Im[Sigma]= 355.604942 meV Z= 1.136018 lam= -0.119732 E( 3 )= 12.2482 eV Re[Sigma]= 231.119629 meV Im[Sigma]= 262.155444 meV Z= 1.064004 lam= -0.060154 E( 4 )= 12.2482 eV Re[Sigma]= 189.411026 meV Im[Sigma]= 254.872474 meV Z= 1.077773 lam= -0.072161 ------------------------------------------------------------------- ik = 133 coord.: 0.1600000 0.1600000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.0747 eV Re[Sigma]= -109.108886 meV Im[Sigma]= 25.317925 meV Z= 0.998167 lam= 0.001837 E( 2 )= 12.0002 eV Re[Sigma]= 167.046671 meV Im[Sigma]= 354.038519 meV Z= 1.135473 lam= -0.119310 E( 3 )= 12.1505 eV Re[Sigma]= 230.465341 meV Im[Sigma]= 256.001673 meV Z= 1.060465 lam= -0.057018 E( 4 )= 12.1505 eV Re[Sigma]= 188.271766 meV Im[Sigma]= 246.813016 meV Z= 1.073575 lam= -0.068533 ------------------------------------------------------------------- ik = 134 coord.: 0.1650000 0.1650000 0.0000000 ------------------------------------------------------------------- E( 1 )= -7.0154 eV Re[Sigma]= -111.632869 meV Im[Sigma]= 24.800165 meV Z= 0.997740 lam= 0.002265 E( 2 )= 11.8857 eV Re[Sigma]= 163.230677 meV Im[Sigma]= 353.278921 meV Z= 1.135307 lam= -0.119181 E( 3 )= 12.0509 eV Re[Sigma]= 229.962145 meV Im[Sigma]= 250.534726 meV Z= 1.057154 lam= -0.054064 E( 4 )= 12.0509 eV Re[Sigma]= 187.262898 meV Im[Sigma]= 238.991052 meV Z= 1.069442 lam= -0.064933 ------------------------------------------------------------------- ik = 135 coord.: 0.1700000 0.1700000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.9539 eV Re[Sigma]= -114.214051 meV Im[Sigma]= 24.298973 meV Z= 0.997309 lam= 0.002698 E( 2 )= 11.7683 eV Re[Sigma]= 159.301900 meV Im[Sigma]= 353.354678 meV Z= 1.135613 lam= -0.119418 E( 3 )= 11.9495 eV Re[Sigma]= 229.597879 meV Im[Sigma]= 245.788215 meV Z= 1.054113 lam= -0.051335 E( 4 )= 11.9495 eV Re[Sigma]= 186.388380 meV Im[Sigma]= 231.410098 meV Z= 1.065375 lam= -0.061363 ------------------------------------------------------------------- ik = 136 coord.: 0.1750000 0.1750000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.8903 eV Re[Sigma]= -116.852471 meV Im[Sigma]= 23.814126 meV Z= 0.996873 lam= 0.003137 E( 2 )= 11.6482 eV Re[Sigma]= 155.212015 meV Im[Sigma]= 354.259367 meV Z= 1.136495 lam= -0.120102 E( 3 )= 11.8465 eV Re[Sigma]= 229.352882 meV Im[Sigma]= 241.779097 meV Z= 1.051401 lam= -0.048888 E( 4 )= 11.8465 eV Re[Sigma]= 185.651065 meV Im[Sigma]= 224.071436 meV Z= 1.061377 lam= -0.057828 ------------------------------------------------------------------- ik = 137 coord.: 0.1800000 0.1800000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.8245 eV Re[Sigma]= -119.548285 meV Im[Sigma]= 23.346004 meV Z= 0.996430 lam= 0.003583 E( 2 )= 11.5253 eV Re[Sigma]= 150.898559 meV Im[Sigma]= 355.940756 meV Z= 1.138042 lam= -0.121298 E( 3 )= 11.7419 eV Re[Sigma]= 229.198932 meV Im[Sigma]= 238.500460 meV Z= 1.049084 lam= -0.046787 E( 4 )= 11.7419 eV Re[Sigma]= 185.052610 meV Im[Sigma]= 216.973075 meV Z= 1.057455 lam= -0.054334 ------------------------------------------------------------------- ik = 138 coord.: 0.1850000 0.1850000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.7566 eV Re[Sigma]= -122.301743 meV Im[Sigma]= 22.896333 meV Z= 0.995979 lam= 0.004037 E( 2 )= 11.3998 eV Re[Sigma]= 146.289185 meV Im[Sigma]= 358.295429 meV Z= 1.140270 lam= -0.123015 E( 3 )= 11.6358 eV Re[Sigma]= 229.099066 meV Im[Sigma]= 235.915910 meV Z= 1.047226 lam= -0.045096 E( 4 )= 11.6358 eV Re[Sigma]= 184.593502 meV Im[Sigma]= 210.109279 meV Z= 1.053616 lam= -0.050887 ------------------------------------------------------------------- ik = 139 coord.: 0.1900000 0.1900000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.6864 eV Re[Sigma]= -125.113141 meV Im[Sigma]= 22.469589 meV Z= 0.995520 lam= 0.004500 E( 2 )= 11.2717 eV Re[Sigma]= 141.313123 meV Im[Sigma]= 361.173433 meV Z= 1.143048 lam= -0.125146 E( 3 )= 11.5284 eV Re[Sigma]= 229.009216 meV Im[Sigma]= 233.957443 meV Z= 1.045867 lam= -0.043856 E( 4 )= 11.5284 eV Re[Sigma]= 184.273329 meV Im[Sigma]= 203.471436 meV Z= 1.049863 lam= -0.047494 ------------------------------------------------------------------- ik = 140 coord.: 0.1950000 0.1950000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.6141 eV Re[Sigma]= -127.982687 meV Im[Sigma]= 22.075359 meV Z= 0.995053 lam= 0.004972 E( 2 )= 11.1410 eV Re[Sigma]= 135.919542 meV Im[Sigma]= 364.397909 meV Z= 1.146059 lam= -0.127444 E( 3 )= 11.4198 eV Re[Sigma]= 228.882749 meV Im[Sigma]= 232.529107 meV Z= 1.044995 lam= -0.043058 E( 4 )= 11.4198 eV Re[Sigma]= 184.091364 meV Im[Sigma]= 197.051651 meV Z= 1.046194 lam= -0.044155 ------------------------------------------------------------------- ik = 141 coord.: 0.2000000 0.2000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.5396 eV Re[Sigma]= -130.910262 meV Im[Sigma]= 21.731750 meV Z= 0.994579 lam= 0.005450 E( 2 )= 11.0080 eV Re[Sigma]= 130.096160 meV Im[Sigma]= 367.803389 meV Z= 1.148843 lam= -0.129559 E( 3 )= 11.3100 eV Re[Sigma]= 228.678231 meV Im[Sigma]= 231.518900 meV Z= 1.044515 lam= -0.042618 E( 4 )= 11.3100 eV Re[Sigma]= 184.047526 meV Im[Sigma]= 190.851126 meV Z= 1.042600 lam= -0.040859 ------------------------------------------------------------------- ik = 142 coord.: 0.2050000 0.2050000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.4629 eV Re[Sigma]= -133.894932 meV Im[Sigma]= 21.469397 meV Z= 0.994105 lam= 0.005930 E( 2 )= 10.8725 eV Re[Sigma]= 123.876113 meV Im[Sigma]= 371.290556 meV Z= 1.150957 lam= -0.131158 E( 3 )= 11.1993 eV Re[Sigma]= 228.369150 meV Im[Sigma]= 230.820869 meV Z= 1.044245 lam= -0.042371 E( 4 )= 11.1993 eV Re[Sigma]= 184.143267 meV Im[Sigma]= 184.895373 meV Z= 1.039059 lam= -0.037591 ------------------------------------------------------------------- ik = 143 coord.: 0.2100000 0.2100000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.3840 eV Re[Sigma]= -136.934080 meV Im[Sigma]= 21.334648 meV Z= 0.993641 lam= 0.006399 E( 2 )= 10.7347 eV Re[Sigma]= 117.323823 meV Im[Sigma]= 374.881330 meV Z= 1.152163 lam= -0.132067 E( 3 )= 11.0876 eV Re[Sigma]= 227.951793 meV Im[Sigma]= 230.366846 meV Z= 1.043948 lam= -0.042098 E( 4 )= 11.0876 eV Re[Sigma]= 184.381492 meV Im[Sigma]= 179.256553 meV Z= 1.035555 lam= -0.034334 ------------------------------------------------------------------- ik = 144 coord.: 0.2150000 0.2150000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.3029 eV Re[Sigma]= -140.021836 meV Im[Sigma]= 21.389476 meV Z= 0.993208 lam= 0.006838 E( 2 )= 10.5947 eV Re[Sigma]= 110.499962 meV Im[Sigma]= 378.737814 meV Z= 1.152547 lam= -0.132357 E( 3 )= 10.9751 eV Re[Sigma]= 227.446080 meV Im[Sigma]= 230.161729 meV Z= 1.043401 lam= -0.041596 E( 4 )= 10.9751 eV Re[Sigma]= 184.763935 meV Im[Sigma]= 174.078029 meV Z= 1.032091 lam= -0.031093 ------------------------------------------------------------------- ik = 145 coord.: 0.2200000 0.2200000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.2196 eV Re[Sigma]= -143.146441 meV Im[Sigma]= 21.705251 meV Z= 0.992844 lam= 0.007208 E( 2 )= 10.4525 eV Re[Sigma]= 103.411111 meV Im[Sigma]= 383.097971 meV Z= 1.152567 lam= -0.132371 E( 3 )= 10.8620 eV Re[Sigma]= 226.885257 meV Im[Sigma]= 230.308481 meV Z= 1.042495 lam= -0.040763 E( 4 )= 10.8620 eV Re[Sigma]= 185.283740 meV Im[Sigma]= 169.588197 meV Z= 1.028723 lam= -0.027921 ------------------------------------------------------------------- ik = 146 coord.: 0.2250000 0.2250000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.1342 eV Re[Sigma]= -146.286161 meV Im[Sigma]= 22.348581 meV Z= 0.992609 lam= 0.007446 E( 2 )= 10.3083 eV Re[Sigma]= 95.950582 meV Im[Sigma]= 388.108144 meV Z= 1.152999 lam= -0.132697 E( 3 )= 10.7483 eV Re[Sigma]= 226.293060 meV Im[Sigma]= 231.003234 meV Z= 1.041303 lam= -0.039664 E( 4 )= 10.7483 eV Re[Sigma]= 185.910677 meV Im[Sigma]= 166.084918 meV Z= 1.025604 lam= -0.024964 ------------------------------------------------------------------- ik = 147 coord.: 0.2300000 0.2300000 0.0000000 ------------------------------------------------------------------- E( 1 )= -6.0466 eV Re[Sigma]= -149.404045 meV Im[Sigma]= 23.360555 meV Z= 0.992589 lam= 0.007467 E( 2 )= 10.1620 eV Re[Sigma]= 87.859361 meV Im[Sigma]= 393.608978 meV Z= 1.154624 lam= -0.133917 E( 3 )= 10.6342 eV Re[Sigma]= 225.649791 meV Im[Sigma]= 232.484729 meV Z= 1.040124 lam= -0.038577 E( 4 )= 10.6342 eV Re[Sigma]= 186.566598 meV Im[Sigma]= 163.875434 meV Z= 1.023022 lam= -0.022504 ------------------------------------------------------------------- ik = 148 coord.: 0.2350000 0.2350000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.9569 eV Re[Sigma]= -152.444095 meV Im[Sigma]= 24.734894 meV Z= 0.992875 lam= 0.007177 E( 2 )= 10.0138 eV Re[Sigma]= 78.802037 meV Im[Sigma]= 399.011243 meV Z= 1.157312 lam= -0.135929 E( 3 )= 10.5197 eV Re[Sigma]= 224.853395 meV Im[Sigma]= 234.938457 meV Z= 1.039459 lam= -0.037961 E( 4 )= 10.5197 eV Re[Sigma]= 187.094038 meV Im[Sigma]= 163.174006 meV Z= 1.021400 lam= -0.020952 ------------------------------------------------------------------- ik = 149 coord.: 0.2400000 0.2400000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.8650 eV Re[Sigma]= -155.335418 meV Im[Sigma]= 26.403697 meV Z= 0.993499 lam= 0.006544 E( 2 )= 9.8637 eV Re[Sigma]= 68.621298 meV Im[Sigma]= 403.390579 meV Z= 1.159464 lam= -0.137532 E( 3 )= 10.4050 eV Re[Sigma]= 223.698140 meV Im[Sigma]= 238.379442 meV Z= 1.039800 lam= -0.038276 E( 4 )= 10.4050 eV Re[Sigma]= 187.240090 meV Im[Sigma]= 163.984341 meV Z= 1.021127 lam= -0.020689 ------------------------------------------------------------------- ik = 150 coord.: 0.2450000 0.2450000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.7710 eV Re[Sigma]= -158.011965 meV Im[Sigma]= 28.238980 meV Z= 0.994354 lam= 0.005678 E( 2 )= 9.7118 eV Re[Sigma]= 57.519006 meV Im[Sigma]= 405.795152 meV Z= 1.159432 lam= -0.137509 E( 3 )= 10.2902 eV Re[Sigma]= 221.918010 meV Im[Sigma]= 242.557519 meV Z= 1.041218 lam= -0.039587 E( 4 )= 10.2902 eV Re[Sigma]= 186.704918 meV Im[Sigma]= 166.013738 meV Z= 1.022153 lam= -0.021673 ------------------------------------------------------------------- ik = 151 coord.: 0.2500000 0.2500000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.6749 eV Re[Sigma]= -160.443052 meV Im[Sigma]= 30.073069 meV Z= 0.995190 lam= 0.004833 E( 2 )= 9.5582 eV Re[Sigma]= 45.895115 meV Im[Sigma]= 405.592227 meV Z= 1.156988 lam= -0.135687 E( 3 )= 10.1754 eV Re[Sigma]= 219.309810 meV Im[Sigma]= 246.936163 meV Z= 1.043136 lam= -0.041353 E( 4 )= 10.1754 eV Re[Sigma]= 185.270296 meV Im[Sigma]= 168.669087 meV Z= 1.023796 lam= -0.023243 ------------------------------------------------------------------- ik = 152 coord.: 0.2550000 0.2550000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.5767 eV Re[Sigma]= -162.650256 meV Im[Sigma]= 31.732997 meV Z= 0.995752 lam= 0.004266 E( 2 )= 9.4030 eV Re[Sigma]= 34.099621 meV Im[Sigma]= 402.640041 meV Z= 1.152757 lam= -0.132514 E( 3 )= 10.0608 eV Re[Sigma]= 215.834320 meV Im[Sigma]= 250.781066 meV Z= 1.044759 lam= -0.042841 E( 4 )= 10.0608 eV Re[Sigma]= 182.900847 meV Im[Sigma]= 171.164434 meV Z= 1.025193 lam= -0.024574 ------------------------------------------------------------------- ik = 153 coord.: 0.2600000 0.2600000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.4764 eV Re[Sigma]= -164.693410 meV Im[Sigma]= 33.077515 meV Z= 0.995926 lam= 0.004091 E( 2 )= 9.2462 eV Re[Sigma]= 22.351954 meV Im[Sigma]= 397.208202 meV Z= 1.147325 lam= -0.128408 E( 3 )= 9.9464 eV Re[Sigma]= 211.618970 meV Im[Sigma]= 253.350297 meV Z= 1.045469 lam= -0.043491 E( 4 )= 9.9464 eV Re[Sigma]= 179.736163 meV Im[Sigma]= 172.722419 meV Z= 1.025721 lam= -0.025076 ------------------------------------------------------------------- ik = 154 coord.: 0.2650000 0.2650000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.3741 eV Re[Sigma]= -166.640935 meV Im[Sigma]= 34.023975 meV Z= 0.995742 lam= 0.004276 E( 2 )= 9.0880 eV Re[Sigma]= 10.772912 meV Im[Sigma]= 389.751942 meV Z= 1.140959 lam= -0.123544 E( 3 )= 9.8323 eV Re[Sigma]= 206.926929 meV Im[Sigma]= 254.115266 meV Z= 1.044886 lam= -0.042957 E( 4 )= 9.8323 eV Re[Sigma]= 176.045611 meV Im[Sigma]= 172.794191 meV Z= 1.025038 lam= -0.024427 ------------------------------------------------------------------- ik = 155 coord.: 0.2700000 0.2700000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.2698 eV Re[Sigma]= -168.548891 meV Im[Sigma]= 34.557020 meV Z= 0.995298 lam= 0.004724 E( 2 )= 8.9283 eV Re[Sigma]= -0.562908 meV Im[Sigma]= 380.710325 meV Z= 1.133660 lam= -0.117902 E( 3 )= 9.7187 eV Re[Sigma]= 202.077828 meV Im[Sigma]= 252.906811 meV Z= 1.043111 lam= -0.041329 E( 4 )= 9.7187 eV Re[Sigma]= 172.145634 meV Im[Sigma]= 171.196100 meV Z= 1.023255 lam= -0.022727 ------------------------------------------------------------------- ik = 156 coord.: 0.2750000 0.2750000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.1636 eV Re[Sigma]= -170.454996 meV Im[Sigma]= 34.719029 meV Z= 0.994689 lam= 0.005340 E( 2 )= 8.7673 eV Re[Sigma]= -11.590259 meV Im[Sigma]= 370.423000 meV Z= 1.125316 lam= -0.111360 E( 3 )= 9.6057 eV Re[Sigma]= 197.329462 meV Im[Sigma]= 249.916066 meV Z= 1.040624 lam= -0.039038 E( 4 )= 9.6057 eV Re[Sigma]= 168.288981 meV Im[Sigma]= 168.101443 meV Z= 1.020818 lam= -0.020393 ------------------------------------------------------------------- ik = 157 coord.: 0.2800000 0.2800000 0.0000000 ------------------------------------------------------------------- E( 1 )= -5.0553 eV Re[Sigma]= -172.380956 meV Im[Sigma]= 34.589086 meV Z= 0.993987 lam= 0.006049 E( 2 )= 8.6051 eV Re[Sigma]= -22.237059 meV Im[Sigma]= 359.149023 meV Z= 1.115840 lam= -0.103814 E( 3 )= 9.4933 eV Re[Sigma]= 192.830242 meV Im[Sigma]= 245.567293 meV Z= 1.037892 lam= -0.036509 E( 4 )= 9.4933 eV Re[Sigma]= 164.622632 meV Im[Sigma]= 163.910626 meV Z= 1.018152 lam= -0.017828 ------------------------------------------------------------------- ik = 158 coord.: 0.2850000 0.2850000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.9452 eV Re[Sigma]= -174.335577 meV Im[Sigma]= 34.259799 meV Z= 0.993241 lam= 0.006805 E( 2 )= 8.4417 eV Re[Sigma]= -32.425885 meV Im[Sigma]= 347.117394 meV Z= 1.105313 lam= -0.095279 E( 3 )= 9.3818 eV Re[Sigma]= 188.644214 meV Im[Sigma]= 240.349014 meV Z= 1.035206 lam= -0.034009 E( 4 )= 9.3818 eV Re[Sigma]= 161.212081 meV Im[Sigma]= 159.085553 meV Z= 1.015523 lam= -0.015285 ------------------------------------------------------------------- ik = 159 coord.: 0.2900000 0.2900000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.8331 eV Re[Sigma]= -176.319368 meV Im[Sigma]= 33.819353 meV Z= 0.992481 lam= 0.007576 E( 2 )= 8.2772 eV Re[Sigma]= -42.092324 meV Im[Sigma]= 334.548064 meV Z= 1.094080 lam= -0.085990 E( 3 )= 9.2711 eV Re[Sigma]= 184.787465 meV Im[Sigma]= 234.689314 meV Z= 1.032712 lam= -0.031676 E( 4 )= 9.2711 eV Re[Sigma]= 158.076277 meV Im[Sigma]= 154.030244 meV Z= 1.013065 lam= -0.012896 ------------------------------------------------------------------- ik = 160 coord.: 0.2950000 0.2950000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.7192 eV Re[Sigma]= -178.336938 meV Im[Sigma]= 33.341897 meV Z= 0.991724 lam= 0.008345 E( 2 )= 8.1117 eV Re[Sigma]= -51.219688 meV Im[Sigma]= 321.616418 meV Z= 1.082767 lam= -0.076440 E( 3 )= 9.1615 eV Re[Sigma]= 181.245203 meV Im[Sigma]= 228.908734 meV Z= 1.030475 lam= -0.029574 E( 4 )= 9.1615 eV Re[Sigma]= 155.208459 meV Im[Sigma]= 149.047779 meV Z= 1.010839 lam= -0.010723 ------------------------------------------------------------------- ik = 161 coord.: 0.3000000 0.3000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.6035 eV Re[Sigma]= -180.386709 meV Im[Sigma]= 32.885404 meV Z= 0.990982 lam= 0.009100 E( 2 )= 7.9453 eV Re[Sigma]= -59.864528 meV Im[Sigma]= 308.373293 meV Z= 1.072147 lam= -0.067292 E( 3 )= 9.0529 eV Re[Sigma]= 177.994306 meV Im[Sigma]= 223.231739 meV Z= 1.028520 lam= -0.027729 E( 4 )= 9.0529 eV Re[Sigma]= 152.591345 meV Im[Sigma]= 144.354001 meV Z= 1.008876 lam= -0.008798 ------------------------------------------------------------------- ik = 162 coord.: 0.3050000 0.3050000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.4860 eV Re[Sigma]= -182.462345 meV Im[Sigma]= 32.494075 meV Z= 0.990265 lam= 0.009831 E( 2 )= 7.7780 eV Re[Sigma]= -68.158639 meV Im[Sigma]= 294.670312 meV Z= 1.062841 lam= -0.059125 E( 3 )= 8.9456 eV Re[Sigma]= 175.008106 meV Im[Sigma]= 217.818152 meV Z= 1.026860 lam= -0.026157 E( 4 )= 8.9456 eV Re[Sigma]= 150.201295 meV Im[Sigma]= 140.109288 meV Z= 1.007196 lam= -0.007144 ------------------------------------------------------------------- ik = 163 coord.: 0.3100000 0.3100000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.3667 eV Re[Sigma]= -184.556313 meV Im[Sigma]= 32.202223 meV Z= 0.989584 lam= 0.010526 E( 2 )= 7.6099 eV Re[Sigma]= -76.253955 meV Im[Sigma]= 280.153972 meV Z= 1.055027 lam= -0.052157 E( 3 )= 8.8396 eV Re[Sigma]= 172.254174 meV Im[Sigma]= 212.784706 meV Z= 1.025512 lam= -0.024877 E( 4 )= 8.8396 eV Re[Sigma]= 148.006948 meV Im[Sigma]= 136.438349 meV Z= 1.005831 lam= -0.005797 ------------------------------------------------------------------- ik = 164 coord.: 0.3150000 0.3150000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.2458 eV Re[Sigma]= -186.659763 meV Im[Sigma]= 32.037551 meV Z= 0.988952 lam= 0.011171 E( 2 )= 7.4411 eV Re[Sigma]= -84.252988 meV Im[Sigma]= 264.356599 meV Z= 1.048498 lam= -0.046255 E( 3 )= 8.7350 eV Re[Sigma]= 169.692050 meV Im[Sigma]= 208.206872 meV Z= 1.024508 lam= -0.023922 E( 4 )= 8.7350 eV Re[Sigma]= 145.965563 meV Im[Sigma]= 133.427192 meV Z= 1.004836 lam= -0.004813 ------------------------------------------------------------------- ik = 165 coord.: 0.3200000 0.3200000 0.0000000 ------------------------------------------------------------------- E( 1 )= -4.1232 eV Re[Sigma]= -188.761864 meV Im[Sigma]= 32.022909 meV Z= 0.988385 lam= 0.011751 E( 2 )= 7.2717 eV Re[Sigma]= -92.180594 meV Im[Sigma]= 246.850308 meV Z= 1.042697 lam= -0.040948 E( 3 )= 8.6319 eV Re[Sigma]= 167.270804 meV Im[Sigma]= 204.108301 meV Z= 1.023890 lam= -0.023332 E( 4 )= 8.6319 eV Re[Sigma]= 144.018962 meV Im[Sigma]= 131.104987 meV Z= 1.004280 lam= -0.004262 ------------------------------------------------------------------- ik = 166 coord.: 0.3250000 0.3250000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.9989 eV Re[Sigma]= -190.849836 meV Im[Sigma]= 32.176514 meV Z= 0.987902 lam= 0.012246 E( 2 )= 7.1017 eV Re[Sigma]= -99.943147 meV Im[Sigma]= 227.399810 meV Z= 1.036560 lam= -0.035270 E( 3 )= 8.5305 eV Re[Sigma]= 164.931791 meV Im[Sigma]= 200.453157 meV Z= 1.023656 lam= -0.023109 E( 4 )= 8.5305 eV Re[Sigma]= 142.096197 meV Im[Sigma]= 129.429436 meV Z= 1.004191 lam= -0.004173 ------------------------------------------------------------------- ik = 167 coord.: 0.3300000 0.3300000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.8731 eV Re[Sigma]= -192.907821 meV Im[Sigma]= 32.511030 meV Z= 0.987527 lam= 0.012631 E( 2 )= 6.9312 eV Re[Sigma]= -107.262220 meV Im[Sigma]= 206.070186 meV Z= 1.028727 lam= -0.027924 E( 3 )= 8.4307 eV Re[Sigma]= 162.624051 meV Im[Sigma]= 197.150583 meV Z= 1.023700 lam= -0.023152 E( 4 )= 8.4307 eV Re[Sigma]= 140.134586 meV Im[Sigma]= 128.295569 meV Z= 1.004474 lam= -0.004454 ------------------------------------------------------------------- ik = 168 coord.: 0.3350000 0.3350000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.7458 eV Re[Sigma]= -194.917342 meV Im[Sigma]= 33.032050 meV Z= 0.987284 lam= 0.012880 E( 2 )= 6.7602 eV Re[Sigma]= -113.676873 meV Im[Sigma]= 183.275565 meV Z= 1.018377 lam= -0.018046 E( 3 )= 8.3328 eV Re[Sigma]= 138.090051 meV Im[Sigma]= 127.503946 meV Z= 1.004896 lam= -0.004873 E( 4 )= 8.3328 eV Re[Sigma]= 160.347326 meV Im[Sigma]= 194.139694 meV Z= 1.023835 lam= -0.023280 ------------------------------------------------------------------- ik = 169 coord.: 0.3400000 0.3400000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.6169 eV Re[Sigma]= -196.856308 meV Im[Sigma]= 33.736532 meV Z= 0.987197 lam= 0.012969 E( 2 )= 6.5889 eV Re[Sigma]= -118.696435 meV Im[Sigma]= 159.760721 meV Z= 1.006125 lam= -0.006087 E( 3 )= 8.2367 eV Re[Sigma]= 136.017221 meV Im[Sigma]= 127.011212 meV Z= 1.005299 lam= -0.005271 E( 4 )= 8.2367 eV Re[Sigma]= 158.088009 meV Im[Sigma]= 191.209247 meV Z= 1.023865 lam= -0.023309 ------------------------------------------------------------------- ik = 170 coord.: 0.3450000 0.3450000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.4866 eV Re[Sigma]= -198.700599 meV Im[Sigma]= 34.611635 meV Z= 0.987280 lam= 0.012884 E( 2 )= 6.4173 eV Re[Sigma]= -122.041638 meV Im[Sigma]= 136.506623 meV Z= 0.993840 lam= 0.006198 E( 3 )= 8.1427 eV Re[Sigma]= 133.935767 meV Im[Sigma]= 126.631103 meV Z= 1.005616 lam= -0.005585 E( 4 )= 8.1427 eV Re[Sigma]= 155.907397 meV Im[Sigma]= 188.350843 meV Z= 1.023771 lam= -0.023219 ------------------------------------------------------------------- ik = 171 coord.: 0.3500000 0.3500000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.3548 eV Re[Sigma]= -200.424547 meV Im[Sigma]= 35.634299 meV Z= 0.987529 lam= 0.012628 E( 2 )= 6.2455 eV Re[Sigma]= -123.777940 meV Im[Sigma]= 114.568888 meV Z= 0.983387 lam= 0.016894 E( 3 )= 8.0507 eV Re[Sigma]= 131.889265 meV Im[Sigma]= 126.309913 meV Z= 1.005908 lam= -0.005873 E( 4 )= 8.0507 eV Re[Sigma]= 153.831854 meV Im[Sigma]= 185.501182 meV Z= 1.023587 lam= -0.023043 ------------------------------------------------------------------- ik = 172 coord.: 0.3550000 0.3550000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.2218 eV Re[Sigma]= -202.004366 meV Im[Sigma]= 36.771814 meV Z= 0.987916 lam= 0.012232 E( 2 )= 6.0735 eV Re[Sigma]= -124.241488 meV Im[Sigma]= 94.888539 meV Z= 0.975638 lam= 0.024970 E( 3 )= 7.9608 eV Re[Sigma]= 129.899911 meV Im[Sigma]= 126.016808 meV Z= 1.006245 lam= -0.006206 E( 4 )= 7.9608 eV Re[Sigma]= 151.877927 meV Im[Sigma]= 182.635238 meV Z= 1.023362 lam= -0.022829 ------------------------------------------------------------------- ik = 173 coord.: 0.3600000 0.3600000 0.0000000 ------------------------------------------------------------------- E( 1 )= -3.0873 eV Re[Sigma]= -203.420353 meV Im[Sigma]= 37.983425 meV Z= 0.988386 lam= 0.011750 E( 2 )= 5.9013 eV Re[Sigma]= -123.862438 meV Im[Sigma]= 78.130729 meV Z= 0.970499 lam= 0.030398 E( 3 )= 7.8732 eV Re[Sigma]= 127.974975 meV Im[Sigma]= 125.737899 meV Z= 1.006677 lam= -0.006633 E( 4 )= 7.8732 eV Re[Sigma]= 150.050993 meV Im[Sigma]= 179.739583 meV Z= 1.023128 lam= -0.022606 ------------------------------------------------------------------- ik = 174 coord.: 0.3650000 0.3650000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.9516 eV Re[Sigma]= -204.660510 meV Im[Sigma]= 39.222896 meV Z= 0.988864 lam= 0.011261 E( 2 )= 5.7292 eV Re[Sigma]= -123.029623 meV Im[Sigma]= 64.594517 meV Z= 0.967421 lam= 0.033677 E( 3 )= 7.7880 eV Re[Sigma]= 126.112490 meV Im[Sigma]= 125.459682 meV Z= 1.007225 lam= -0.007174 E( 4 )= 7.7880 eV Re[Sigma]= 148.349510 meV Im[Sigma]= 176.799689 meV Z= 1.022894 lam= -0.022382 ------------------------------------------------------------------- ik = 175 coord.: 0.3700000 0.3700000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.8147 eV Re[Sigma]= -205.721391 meV Im[Sigma]= 40.441762 meV Z= 0.989273 lam= 0.010844 E( 2 )= 5.5570 eV Re[Sigma]= -122.039338 meV Im[Sigma]= 54.204026 meV Z= 0.965811 lam= 0.035399 E( 3 )= 7.7051 eV Re[Sigma]= 124.306345 meV Im[Sigma]= 125.159618 meV Z= 1.007892 lam= -0.007830 E( 4 )= 7.7051 eV Re[Sigma]= 146.769002 meV Im[Sigma]= 173.794168 meV Z= 1.022653 lam= -0.022151 ------------------------------------------------------------------- ik = 176 coord.: 0.3750000 0.3750000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.6766 eV Re[Sigma]= -206.608414 meV Im[Sigma]= 41.592930 meV Z= 0.989544 lam= 0.010566 E( 2 )= 5.3849 eV Re[Sigma]= -121.099659 meV Im[Sigma]= 46.560420 meV Z= 0.965200 lam= 0.036055 E( 3 )= 7.6247 eV Re[Sigma]= 122.549212 meV Im[Sigma]= 124.804919 meV Z= 1.008663 lam= -0.008588 E( 4 )= 7.6247 eV Re[Sigma]= 145.304081 meV Im[Sigma]= 170.695400 meV Z= 1.022390 lam= -0.021900 ------------------------------------------------------------------- ik = 177 coord.: 0.3800000 0.3800000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.5373 eV Re[Sigma]= -207.333075 meV Im[Sigma]= 42.634113 meV Z= 0.989638 lam= 0.010470 E( 2 )= 5.2130 eV Re[Sigma]= -120.352108 meV Im[Sigma]= 41.025018 meV Z= 0.965248 lam= 0.036003 E( 3 )= 7.5468 eV Re[Sigma]= 120.834687 meV Im[Sigma]= 124.356888 meV Z= 1.009513 lam= -0.009423 E( 4 )= 7.5468 eV Re[Sigma]= 143.950007 meV Im[Sigma]= 167.473951 meV Z= 1.022082 lam= -0.021604 ------------------------------------------------------------------- ik = 178 coord.: 0.3850000 0.3850000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.3970 eV Re[Sigma]= -207.910737 meV Im[Sigma]= 43.530848 meV Z= 0.989539 lam= 0.010571 E( 2 )= 5.0412 eV Re[Sigma]= -119.884929 meV Im[Sigma]= 36.820702 meV Z= 0.965661 lam= 0.035560 E( 3 )= 7.4716 eV Re[Sigma]= 119.158079 meV Im[Sigma]= 123.777352 meV Z= 1.010408 lam= -0.010300 E( 4 )= 7.4716 eV Re[Sigma]= 142.702930 meV Im[Sigma]= 164.103953 meV Z= 1.021701 lam= -0.021240 ------------------------------------------------------------------- ik = 179 coord.: 0.3900000 0.3900000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.2555 eV Re[Sigma]= -208.357119 meV Im[Sigma]= 44.258448 meV Z= 0.989256 lam= 0.010861 E( 2 )= 4.8696 eV Re[Sigma]= -119.716962 meV Im[Sigma]= 33.162591 meV Z= 0.966035 lam= 0.035159 E( 3 )= 7.3990 eV Re[Sigma]= 117.517246 meV Im[Sigma]= 123.034612 meV Z= 1.011307 lam= -0.011180 E( 4 )= 7.3990 eV Re[Sigma]= 141.560422 meV Im[Sigma]= 160.567610 meV Z= 1.021220 lam= -0.020779 ------------------------------------------------------------------- ik = 180 coord.: 0.3950000 0.3950000 0.0000000 ------------------------------------------------------------------- E( 1 )= -2.1131 eV Re[Sigma]= -208.687178 meV Im[Sigma]= 44.803756 meV Z= 0.988809 lam= 0.011318 E( 2 )= 4.6984 eV Re[Sigma]= -119.743345 meV Im[Sigma]= 29.425890 meV Z= 0.965766 lam= 0.035448 E( 3 )= 7.3292 eV Re[Sigma]= 115.912255 meV Im[Sigma]= 122.107727 meV Z= 1.012165 lam= -0.012019 E( 4 )= 7.3292 eV Re[Sigma]= 140.520800 meV Im[Sigma]= 156.857890 meV Z= 1.020610 lam= -0.020194 ------------------------------------------------------------------- ik = 181 coord.: 0.4000000 0.4000000 0.0000000 ------------------------------------------------------------------- E( 1 )= -1.9697 eV Re[Sigma]= -208.911397 meV Im[Sigma]= 45.164718 meV Z= 0.988229 lam= 0.011911 E( 2 )= 4.5275 eV Re[Sigma]= -119.699914 meV Im[Sigma]= 25.314009 meV Z= 0.964390 lam= 0.036925 E( 3 )= 7.2623 eV Re[Sigma]= 114.345782 meV Im[Sigma]= 120.988826 meV Z= 1.012936 lam= -0.012771 E( 4 )= 7.2623 eV Re[Sigma]= 139.583627 meV Im[Sigma]= 152.979389 meV Z= 1.019843 lam= -0.019457 ------------------------------------------------------------------- ik = 182 coord.: 0.4050000 0.4050000 0.0000000 ------------------------------------------------------------------- E( 1 )= -1.8254 eV Re[Sigma]= -209.036920 meV Im[Sigma]= 45.352452 meV Z= 0.987548 lam= 0.012609 E( 2 )= 4.3570 eV Re[Sigma]= -119.285513 meV Im[Sigma]= 20.940133 meV Z= 0.962290 lam= 0.039188 E( 3 )= 7.1982 eV Re[Sigma]= 112.821908 meV Im[Sigma]= 119.683701 meV Z= 1.013577 lam= -0.013395 E( 4 )= 7.1982 eV Re[Sigma]= 138.748204 meV Im[Sigma]= 148.947641 meV Z= 1.018898 lam= -0.018548 ------------------------------------------------------------------- ik = 183 coord.: 0.4100000 0.4100000 0.0000000 ------------------------------------------------------------------- E( 1 )= -1.6803 eV Re[Sigma]= -209.064277 meV Im[Sigma]= 45.392689 meV Z= 0.986798 lam= 0.013378 E( 2 )= 4.1870 eV Re[Sigma]= -118.391753 meV Im[Sigma]= 16.749112 meV Z= 0.960465 lam= 0.041163 E( 3 )= 7.1370 eV Re[Sigma]= 111.345914 meV Im[Sigma]= 118.211076 meV Z= 1.014050 lam= -0.013855 E( 4 )= 7.1370 eV Re[Sigma]= 138.013750 meV Im[Sigma]= 144.787388 meV Z= 1.017762 lam= -0.017452 ------------------------------------------------------------------- ik = 184 coord.: 0.4150000 0.4150000 0.0000000 ------------------------------------------------------------------- E( 1 )= -1.5343 eV Re[Sigma]= -208.986736 meV Im[Sigma]= 45.333902 meV Z= 0.986014 lam= 0.014184 E( 2 )= 4.0175 eV Re[Sigma]= -117.144840 meV Im[Sigma]= 13.303264 meV Z= 0.959487 lam= 0.042223 E( 3 )= 7.0788 eV Re[Sigma]= 109.923079 meV Im[Sigma]= 116.600916 meV Z= 1.014327 lam= -0.014125 E( 4 )= 7.0788 eV Re[Sigma]= 137.378302 meV Im[Sigma]= 140.530234 meV Z= 1.016429 lam= -0.016164 ------------------------------------------------------------------- ik = 185 coord.: 0.4200000 0.4200000 0.0000000 ------------------------------------------------------------------- E( 1 )= -1.3877 eV Re[Sigma]= -208.787853 meV Im[Sigma]= 45.260969 meV Z= 0.985229 lam= 0.014993 E( 2 )= 3.8486 eV Re[Sigma]= -115.748998 meV Im[Sigma]= 11.057283 meV Z= 0.959301 lam= 0.042426 E( 3 )= 7.0237 eV Re[Sigma]= 108.557648 meV Im[Sigma]= 114.892027 meV Z= 1.014396 lam= -0.014191 E( 4 )= 7.0237 eV Re[Sigma]= 136.838091 meV Im[Sigma]= 136.212088 meV Z= 1.014907 lam= -0.014688 ------------------------------------------------------------------- ik = 186 coord.: 0.4250000 0.4250000 0.0000000 ------------------------------------------------------------------- E( 1 )= -1.2403 eV Re[Sigma]= -208.439302 meV Im[Sigma]= 45.305823 meV Z= 0.984474 lam= 0.015770 E( 2 )= 3.6804 eV Re[Sigma]= -114.369478 meV Im[Sigma]= 10.249090 meV Z= 0.959659 lam= 0.042037 E( 3 )= 6.9717 eV Re[Sigma]= 107.252228 meV Im[Sigma]= 113.129031 meV Z= 1.014256 lam= -0.014056 E( 4 )= 6.9717 eV Re[Sigma]= 136.387398 meV Im[Sigma]= 131.870687 meV Z= 1.013211 lam= -0.013039 ------------------------------------------------------------------- ik = 187 coord.: 0.4300000 0.4300000 0.0000000 ------------------------------------------------------------------- E( 1 )= -1.0924 eV Re[Sigma]= -207.902201 meV Im[Sigma]= 45.642586 meV Z= 0.983775 lam= 0.016493 E( 2 )= 3.5130 eV Re[Sigma]= -113.120037 meV Im[Sigma]= 10.927594 meV Z= 0.960411 lam= 0.041221 E( 3 )= 6.9228 eV Re[Sigma]= 106.006821 meV Im[Sigma]= 111.358757 meV Z= 1.013923 lam= -0.013732 E( 4 )= 6.9228 eV Re[Sigma]= 136.017958 meV Im[Sigma]= 127.543385 meV Z= 1.011368 lam= -0.011240 ------------------------------------------------------------------- ik = 188 coord.: 0.4350000 0.4350000 0.0000000 ------------------------------------------------------------------- E( 1 )= -0.9440 eV Re[Sigma]= -207.133315 meV Im[Sigma]= 46.445643 meV Z= 0.983147 lam= 0.017142 E( 2 )= 3.3464 eV Re[Sigma]= -112.097879 meV Im[Sigma]= 13.028359 meV Z= 0.961578 lam= 0.039958 E( 3 )= 6.8770 eV Re[Sigma]= 104.818294 meV Im[Sigma]= 109.626038 meV Z= 1.013426 lam= -0.013248 E( 4 )= 6.8770 eV Re[Sigma]= 135.718817 meV Im[Sigma]= 123.265327 meV Z= 1.009409 lam= -0.009321 ------------------------------------------------------------------- ik = 189 coord.: 0.4400000 0.4400000 0.0000000 ------------------------------------------------------------------- E( 1 )= -0.7953 eV Re[Sigma]= -206.088168 meV Im[Sigma]= 47.872253 meV Z= 0.982684 lam= 0.017621 E( 2 )= 3.1808 eV Re[Sigma]= -111.432625 meV Im[Sigma]= 16.394409 meV Z= 0.963342 lam= 0.038053 E( 3 )= 6.8345 eV Re[Sigma]= 103.679440 meV Im[Sigma]= 107.969109 meV Z= 1.012803 lam= -0.012641 E( 4 )= 6.8345 eV Re[Sigma]= 135.475784 meV Im[Sigma]= 119.068050 meV Z= 1.007373 lam= -0.007319 ------------------------------------------------------------------- ik = 190 coord.: 0.4450000 0.4450000 0.0000000 ------------------------------------------------------------------- E( 1 )= -0.6463 eV Re[Sigma]= -204.530629 meV Im[Sigma]= 50.664137 meV Z= 0.983262 lam= 0.017023 E( 2 )= 3.0163 eV Re[Sigma]= -111.375512 meV Im[Sigma]= 20.720086 meV Z= 0.965991 lam= 0.035207 E( 3 )= 6.7953 eV Re[Sigma]= 102.571348 meV Im[Sigma]= 106.414972 meV Z= 1.012101 lam= -0.011956 E( 4 )= 6.7953 eV Re[Sigma]= 135.265501 meV Im[Sigma]= 114.978518 meV Z= 1.005299 lam= -0.005271 ------------------------------------------------------------------- ik = 191 coord.: 0.4500000 0.4500000 0.0000000 ------------------------------------------------------------------- E( 1 )= -0.4974 eV Re[Sigma]= -201.999560 meV Im[Sigma]= 53.811723 meV Z= 0.985345 lam= 0.014873 E( 2 )= 2.8532 eV Re[Sigma]= -112.133073 meV Im[Sigma]= 25.493816 meV Z= 0.969547 lam= 0.031409 E( 3 )= 6.7594 eV Re[Sigma]= 101.487623 meV Im[Sigma]= 104.975402 meV Z= 1.011365 lam= -0.011237 E( 4 )= 6.7594 eV Re[Sigma]= 135.074799 meV Im[Sigma]= 111.018572 meV Z= 1.003224 lam= -0.003213 ------------------------------------------------------------------- ik = 192 coord.: 0.4550000 0.4550000 0.0000000 ------------------------------------------------------------------- E( 1 )= -0.3487 eV Re[Sigma]= -198.849920 meV Im[Sigma]= 55.210937 meV Z= 0.986780 lam= 0.013397 E( 2 )= 2.6917 eV Re[Sigma]= -113.774844 meV Im[Sigma]= 30.038266 meV Z= 0.973321 lam= 0.027410 E( 3 )= 6.7267 eV Re[Sigma]= 100.428458 meV Im[Sigma]= 103.644393 meV Z= 1.010635 lam= -0.010523 E( 4 )= 6.7267 eV Re[Sigma]= 134.896065 meV Im[Sigma]= 107.204746 meV Z= 1.001176 lam= -0.001175 ------------------------------------------------------------------- ik = 193 coord.: 0.4600000 0.4600000 0.0000000 ------------------------------------------------------------------- E( 1 )= -0.2006 eV Re[Sigma]= -195.318398 meV Im[Sigma]= 55.256947 meV Z= 0.986846 lam= 0.013329 E( 2 )= 2.5322 eV Re[Sigma]= -116.310095 meV Im[Sigma]= 33.668840 meV Z= 0.976141 lam= 0.024442 E( 3 )= 6.6975 eV Re[Sigma]= 99.370385 meV Im[Sigma]= 102.397795 meV Z= 1.009948 lam= -0.009850 E( 4 )= 6.6975 eV Re[Sigma]= 134.702001 meV Im[Sigma]= 103.548422 meV Z= 0.999187 lam= 0.000814 ------------------------------------------------------------------- ik = 194 coord.: 0.4650000 0.4650000 0.0000000 ------------------------------------------------------------------- E( 1 )= -0.0538 eV Re[Sigma]= -191.627234 meV Im[Sigma]= 54.234827 meV Z= 0.985773 lam= 0.014432 E( 2 )= 2.3752 eV Re[Sigma]= -119.493198 meV Im[Sigma]= 35.917385 meV Z= 0.977343 lam= 0.023182 E( 3 )= 6.6716 eV Re[Sigma]= 98.295148 meV Im[Sigma]= 101.195558 meV Z= 1.009332 lam= -0.009246 E( 4 )= 6.6716 eV Re[Sigma]= 134.469070 meV Im[Sigma]= 100.056241 meV Z= 0.997281 lam= 0.002727 ------------------------------------------------------------------- ik = 195 coord.: 0.4700000 0.4700000 0.0000000 ------------------------------------------------------------------- E( 1 )= 0.0909 eV Re[Sigma]= -187.843388 meV Im[Sigma]= 52.471717 meV Z= 0.984416 lam= 0.015831 E( 2 )= 2.2217 eV Re[Sigma]= -123.079620 meV Im[Sigma]= 36.679485 meV Z= 0.977271 lam= 0.023257 E( 3 )= 6.6491 eV Re[Sigma]= 97.185418 meV Im[Sigma]= 99.986475 meV Z= 1.008796 lam= -0.008719 E( 4 )= 6.6491 eV Re[Sigma]= 134.172538 meV Im[Sigma]= 96.730734 meV Z= 0.995475 lam= 0.004546 ------------------------------------------------------------------- ik = 196 coord.: 0.4750000 0.4750000 0.0000000 ------------------------------------------------------------------- E( 1 )= 0.2322 eV Re[Sigma]= -183.780689 meV Im[Sigma]= 50.336785 meV Z= 0.983339 lam= 0.016944 E( 2 )= 2.0731 eV Re[Sigma]= -127.039869 meV Im[Sigma]= 36.198312 meV Z= 0.976571 lam= 0.023992 E( 3 )= 6.6301 eV Re[Sigma]= 96.032174 meV Im[Sigma]= 98.714771 meV Z= 1.008330 lam= -0.008261 E( 4 )= 6.6301 eV Re[Sigma]= 133.792794 meV Im[Sigma]= 93.571069 meV Z= 0.993781 lam= 0.006258 ------------------------------------------------------------------- ik = 197 coord.: 0.4800000 0.4800000 0.0000000 ------------------------------------------------------------------- E( 1 )= 0.3675 eV Re[Sigma]= -179.061701 meV Im[Sigma]= 48.137357 meV Z= 0.982574 lam= 0.017735 E( 2 )= 1.9316 eV Re[Sigma]= -131.610702 meV Im[Sigma]= 34.905708 meV Z= 0.975604 lam= 0.025006 E( 3 )= 6.6145 eV Re[Sigma]= 94.833709 meV Im[Sigma]= 97.327404 meV Z= 1.007902 lam= -0.007840 E( 4 )= 6.6145 eV Re[Sigma]= 133.313081 meV Im[Sigma]= 90.573856 meV Z= 0.992202 lam= 0.007859 ------------------------------------------------------------------- ik = 198 coord.: 0.4850000 0.4850000 0.0000000 ------------------------------------------------------------------- E( 1 )= 0.4928 eV Re[Sigma]= -173.119075 meV Im[Sigma]= 46.057930 meV Z= 0.981969 lam= 0.018362 E( 2 )= 1.8017 eV Re[Sigma]= -137.313651 meV Im[Sigma]= 33.220334 meV Z= 0.974461 lam= 0.026208 E( 3 )= 6.6023 eV Re[Sigma]= 93.593058 meV Im[Sigma]= 95.780842 meV Z= 1.007463 lam= -0.007407 E( 4 )= 6.6023 eV Re[Sigma]= 132.715958 meV Im[Sigma]= 87.733928 meV Z= 0.990739 lam= 0.009347 ------------------------------------------------------------------- ik = 199 coord.: 0.4900000 0.4900000 0.0000000 ------------------------------------------------------------------- E( 1 )= 0.6003 eV Re[Sigma]= -165.156320 meV Im[Sigma]= 44.134561 meV Z= 0.981494 lam= 0.018855 E( 2 )= 1.6908 eV Re[Sigma]= -144.957345 meV Im[Sigma]= 31.442324 meV Z= 0.973133 lam= 0.027609 E( 3 )= 6.5936 eV Re[Sigma]= 92.320795 meV Im[Sigma]= 94.046199 meV Z= 1.006946 lam= -0.006898 E( 4 )= 6.5936 eV Re[Sigma]= 131.985859 meV Im[Sigma]= 85.045034 meV Z= 0.989388 lam= 0.010726 ------------------------------------------------------------------- ik = 200 coord.: 0.4950000 0.4950000 0.0000000 ------------------------------------------------------------------- E( 1 )= 0.6769 eV Re[Sigma]= -154.538719 meV Im[Sigma]= 42.245418 meV Z= 0.981237 lam= 0.019122 E( 2 )= 1.6122 eV Re[Sigma]= -155.207222 meV Im[Sigma]= 29.814953 meV Z= 0.971652 lam= 0.029175 E( 3 )= 6.5884 eV Re[Sigma]= 91.034540 meV Im[Sigma]= 92.112028 meV Z= 1.006283 lam= -0.006244 E( 4 )= 6.5884 eV Re[Sigma]= 131.109357 meV Im[Sigma]= 82.500418 meV Z= 0.988139 lam= 0.012003 ------------------------------------------------------------------- ik = 201 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- E( 1 )= 0.7055 eV Re[Sigma]= -142.479470 meV Im[Sigma]= 40.192317 meV Z= 0.981163 lam= 0.019199 E( 2 )= 1.5829 eV Re[Sigma]= -166.877122 meV Im[Sigma]= 28.619096 meV Z= 0.970242 lam= 0.030671 E( 3 )= 6.5867 eV Re[Sigma]= 89.757022 meV Im[Sigma]= 89.984620 meV Z= 1.005415 lam= -0.005386 E( 4 )= 6.5867 eV Re[Sigma]= 130.075349 meV Im[Sigma]= 80.093240 meV Z= 0.986985 lam= 0.013186 ------------------------------------------------------------------- 1 1 -2.0314 -93.0109 488.1844 1.2646 -0.2093 2 1 -2.0404 -104.3134 502.5444 1.2762 -0.2164 3 1 -2.0668 -121.8396 494.1064 1.2657 -0.2100 4 1 -2.1086 -142.7388 466.2673 1.2386 -0.1926 5 1 -2.1632 -163.8800 425.9139 1.2040 -0.1694 6 1 -2.2281 -183.0581 380.4285 1.1693 -0.1448 7 1 -2.3010 -199.2647 335.2643 1.1382 -0.1214 8 1 -2.3799 -212.2867 293.1258 1.1105 -0.0995 9 1 -2.4632 -222.1613 254.5762 1.0848 -0.0782 10 1 -2.5499 -228.8791 219.2108 1.0601 -0.0567 11 1 -2.6391 -232.4487 186.6118 1.0372 -0.0359 12 1 -2.7300 -233.1135 156.7716 1.0180 -0.0176 13 1 -2.8223 -231.4183 130.0572 1.0034 -0.0034 14 1 -2.9156 -228.0529 106.9469 0.9934 0.0066 15 1 -3.0096 -223.6569 87.7603 0.9870 0.0132 16 1 -3.1040 -218.7211 72.5040 0.9832 0.0171 17 1 -3.1987 -213.5774 60.8640 0.9811 0.0192 18 1 -3.2937 -208.4297 52.3023 0.9802 0.0202 19 1 -3.3887 -203.4003 46.1913 0.9801 0.0203 20 1 -3.4838 -198.5705 41.9298 0.9804 0.0200 21 1 -3.5788 -194.0091 39.0126 0.9810 0.0193 22 1 -3.6737 -189.7191 37.0528 0.9818 0.0185 23 1 -3.7685 -185.6797 35.7726 0.9827 0.0176 24 1 -3.8631 -181.8774 34.9792 0.9837 0.0166 25 1 -3.9575 -178.2987 34.5401 0.9846 0.0156 26 1 -4.0516 -174.9286 34.3631 0.9856 0.0146 27 1 -4.1455 -171.7520 34.3817 0.9866 0.0136 28 1 -4.2390 -168.7536 34.5470 0.9876 0.0126 29 1 -4.3322 -165.9193 34.8222 0.9885 0.0116 30 1 -4.4250 -163.2359 35.1793 0.9894 0.0107 31 1 -4.5173 -160.6913 35.5968 0.9902 0.0099 32 1 -4.6092 -158.2748 36.0589 0.9911 0.0090 33 1 -4.7005 -155.9766 36.5537 0.9919 0.0082 34 1 -4.7914 -153.7882 37.0724 0.9927 0.0074 35 1 -4.8816 -151.7018 37.6083 0.9934 0.0066 36 1 -4.9711 -149.7005 38.1558 0.9941 0.0059 37 1 -5.0600 -147.7481 38.7093 0.9949 0.0052 38 1 -5.1482 -145.9025 39.2616 0.9956 0.0044 39 1 -5.2355 -144.1608 39.8026 0.9963 0.0037 40 1 -5.3221 -142.5041 40.3174 0.9970 0.0031 41 1 -5.4077 -140.9247 40.7851 0.9976 0.0024 42 1 -5.4925 -139.4170 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188 3 6.8770 104.8183 109.6260 1.0134 -0.0132 189 3 6.8345 103.6794 107.9691 1.0128 -0.0126 190 3 6.7953 102.5713 106.4150 1.0121 -0.0120 191 3 6.7594 101.4876 104.9754 1.0114 -0.0112 192 3 6.7267 100.4285 103.6444 1.0106 -0.0105 193 3 6.6975 99.3704 102.3978 1.0099 -0.0099 194 3 6.6716 98.2951 101.1956 1.0093 -0.0092 195 3 6.6491 97.1854 99.9865 1.0088 -0.0087 196 3 6.6301 96.0322 98.7148 1.0083 -0.0083 197 3 6.6145 94.8337 97.3274 1.0079 -0.0078 198 3 6.6023 93.5931 95.7808 1.0075 -0.0074 199 3 6.5936 92.3208 94.0462 1.0069 -0.0069 200 3 6.5884 91.0345 92.1120 1.0063 -0.0062 201 3 6.5867 89.7570 89.9846 1.0054 -0.0054 1 4 10.6149 -64.9058 429.6410 1.1775 -0.1508 2 4 10.6158 -61.1401 439.1170 1.1897 -0.1594 3 4 10.6184 -56.8927 448.6821 1.2025 -0.1684 4 4 10.6228 -52.1329 458.2136 1.2157 -0.1774 5 4 10.6289 -46.8417 467.5775 1.2289 -0.1863 6 4 10.6367 -41.0174 476.6327 1.2416 -0.1946 7 4 10.6463 -34.6804 485.2353 1.2533 -0.2021 8 4 10.6576 -27.8772 493.2450 1.2633 -0.2084 9 4 10.6706 -20.6806 500.5314 1.2709 -0.2132 10 4 10.6853 -13.1880 506.9823 1.2759 -0.2162 11 4 10.7016 -5.5143 512.5107 1.2779 -0.2175 12 4 10.7196 2.2196 517.0616 1.2772 -0.2171 13 4 10.7392 9.8996 520.6181 1.2742 -0.2152 14 4 10.7605 17.4304 523.2046 1.2696 -0.2123 15 4 10.7833 24.7437 524.8876 1.2640 -0.2089 16 4 10.8076 31.8029 525.7729 1.2581 -0.2051 17 4 10.8335 38.6020 526.0001 1.2525 -0.2016 18 4 10.8608 45.1617 525.7339 1.2474 -0.1983 19 4 10.8897 51.5216 525.1525 1.2432 -0.1956 20 4 10.9199 57.7323 524.4348 1.2397 -0.1934 21 4 10.9515 63.8474 523.7478 1.2371 -0.1916 22 4 10.9845 69.9231 523.2341 1.2350 -0.1903 23 4 11.0188 76.0130 523.0025 1.2334 -0.1892 24 4 11.0543 82.1622 523.1209 1.2320 -0.1883 25 4 11.0911 88.4075 523.6131 1.2307 -0.1874 26 4 11.1291 94.7762 524.4595 1.2293 -0.1865 27 4 11.1682 101.2874 525.6015 1.2276 -0.1854 28 4 11.2084 107.9507 526.9490 1.2257 -0.1841 29 4 11.2497 114.7674 528.3908 1.2233 -0.1826 30 4 11.2920 121.7298 529.8071 1.2206 -0.1807 31 4 11.3352 128.8210 531.0824 1.2175 -0.1786 32 4 11.3793 136.0163 532.1155 1.2139 -0.1762 33 4 11.4243 143.2881 532.8264 1.2101 -0.1736 34 4 11.4701 150.6195 533.1556 1.2062 -0.1709 35 4 11.5167 168.7868 534.2224 1.1993 -0.1662 36 4 11.5640 175.3788 533.4267 1.1957 -0.1637 37 4 11.6119 182.0119 532.1462 1.1923 -0.1613 38 4 11.6604 188.6777 530.3047 1.1890 -0.1590 39 4 11.7095 195.3793 527.8145 1.1859 -0.1567 40 4 11.7590 202.1204 524.5811 1.1829 -0.1546 41 4 11.8091 208.8956 520.5090 1.1799 -0.1525 42 4 11.8595 215.6911 515.5073 1.1769 -0.1503 43 4 11.9102 222.4839 509.4956 1.1738 -0.1481 44 4 11.9612 229.2405 502.4094 1.1705 -0.1457 45 4 12.0125 235.9135 494.2086 1.1667 -0.1429 46 4 12.0639 242.4397 484.8857 1.1623 -0.1396 47 4 12.1154 248.7382 474.4756 1.1570 -0.1357 48 4 12.1670 254.7110 463.0634 1.1507 -0.1310 49 4 12.2187 260.2453 450.7892 1.1432 -0.1253 50 4 12.2703 265.2234 437.8477 1.1346 -0.1186 51 4 12.3218 269.5339 424.4833 1.1251 -0.1112 52 4 12.3732 273.0891 410.9787 1.1150 -0.1032 53 4 12.4244 275.8410 397.6398 1.1050 -0.0950 54 4 12.4753 277.7903 384.7766 1.0957 -0.0873 55 4 12.5260 278.9881 372.6839 1.0874 -0.0804 56 4 12.5763 279.5264 361.6238 1.0806 -0.0746 57 4 12.6263 279.5210 351.8104 1.0753 -0.0700 58 4 12.6758 279.0967 343.4007 1.0716 -0.0668 59 4 12.7249 278.3731 336.4903 1.0692 -0.0648 60 4 12.7734 277.4554 331.1153 1.0681 -0.0638 61 4 12.8214 276.4314 327.2581 1.0680 -0.0637 62 4 12.8687 275.3715 324.8574 1.0687 -0.0643 63 4 12.9154 274.3288 323.8199 1.0700 -0.0655 64 4 12.9614 273.3427 324.0324 1.0719 -0.0671 65 4 13.0067 272.4418 325.3737 1.0742 -0.0691 66 4 13.0512 271.6450 327.7240 1.0769 -0.0714 67 4 13.0949 270.9645 330.9733 1.0798 -0.0739 68 4 13.1377 270.4076 335.0263 1.0830 -0.0767 69 4 13.1797 269.9770 339.8047 1.0865 -0.0796 70 4 13.2207 269.6722 345.2475 1.0901 -0.0827 71 4 13.2607 269.4911 351.3090 1.0939 -0.0859 72 4 13.2998 269.4283 357.9549 1.0980 -0.0892 73 4 13.3378 269.4775 365.1585 1.1022 -0.0927 74 4 13.3748 269.6312 372.8962 1.1067 -0.0964 75 4 13.4107 269.8795 381.1452 1.1114 -0.1002 76 4 13.4455 270.2120 389.8810 1.1164 -0.1042 77 4 13.4792 270.6171 399.0778 1.1216 -0.1084 78 4 13.5116 271.0808 408.7095 1.1271 -0.1128 79 4 13.5429 271.5892 418.7517 1.1330 -0.1174 80 4 13.5730 272.1261 429.1837 1.1393 -0.1223 81 4 13.6018 272.6742 439.9898 1.1460 -0.1274 82 4 13.6293 273.2160 451.1605 1.1531 -0.1328 83 4 13.6556 273.7316 462.6921 1.1607 -0.1384 84 4 13.6806 274.2015 474.5852 1.1687 -0.1444 85 4 13.7042 274.6049 486.8433 1.1773 -0.1506 86 4 13.7265 274.9203 499.4705 1.1864 -0.1571 87 4 13.7474 275.1267 512.4697 1.1961 -0.1640 88 4 13.7669 275.2015 525.8405 1.2064 -0.1711 89 4 13.7851 275.1232 539.5788 1.2173 -0.1785 90 4 13.8019 274.8704 553.6757 1.2287 -0.1862 91 4 13.8172 274.4221 568.1174 1.2409 -0.1941 92 4 13.8311 273.7583 582.8859 1.2536 -0.2023 93 4 13.8436 272.8598 597.9593 1.2671 -0.2108 94 4 13.8546 271.7094 613.3128 1.2812 -0.2195 95 4 13.8642 270.2908 628.9193 1.2961 -0.2284 96 4 13.8723 268.5899 644.7498 1.3116 -0.2376 97 4 13.8789 266.5932 660.7746 1.3279 -0.2469 98 4 13.8841 264.2898 676.9631 1.3449 -0.2565 99 4 13.8878 261.6693 693.2842 1.3627 -0.2662 100 4 13.8900 258.7231 709.7075 1.3812 -0.2760 101 4 13.8908 228.7334 666.0831 1.3610 -0.2652 102 4 13.8889 225.0888 621.2140 1.3230 -0.2442 103 4 13.8833 227.1040 604.2653 1.3060 -0.2343 104 4 13.8740 228.5498 587.5669 1.2901 -0.2248 105 4 13.8610 229.4845 571.1767 1.2751 -0.2157 106 4 13.8443 229.9606 555.1314 1.2610 -0.2070 107 4 13.8239 230.0270 539.4552 1.2479 -0.1987 108 4 13.7998 229.7284 524.1629 1.2357 -0.1907 109 4 13.7721 229.1085 509.2617 1.2243 -0.1832 110 4 13.7408 228.2074 494.7529 1.2136 -0.1760 111 4 13.7060 227.0621 480.6331 1.2036 -0.1692 112 4 13.6676 225.7069 466.8952 1.1942 -0.1627 113 4 13.6257 224.1729 453.5297 1.1855 -0.1565 114 4 13.5804 222.4892 440.5252 1.1772 -0.1505 115 4 13.5317 220.6827 427.8689 1.1694 -0.1449 116 4 13.4797 218.7782 415.5476 1.1621 -0.1395 117 4 13.4244 216.7988 403.5477 1.1551 -0.1343 118 4 13.3658 214.7657 391.8557 1.1485 -0.1293 119 4 13.3041 212.6985 380.4584 1.1422 -0.1245 120 4 13.2393 210.6154 369.3433 1.1362 -0.1199 121 4 13.1714 208.5332 358.4987 1.1305 -0.1154 122 4 13.1006 206.4675 347.9136 1.1249 -0.1111 123 4 13.0270 204.4328 337.5783 1.1196 -0.1068 124 4 12.9505 202.4424 327.4842 1.1144 -0.1027 125 4 12.8713 200.5089 317.6240 1.1095 -0.0987 126 4 12.7895 198.6438 307.9918 1.1046 -0.0947 127 4 12.7051 196.8574 298.5835 1.0999 -0.0908 128 4 12.6183 195.1590 289.3965 1.0953 -0.0870 129 4 12.5291 193.5570 280.4301 1.0908 -0.0832 130 4 12.4376 192.0600 271.6854 1.0864 -0.0795 131 4 12.3439 190.6757 263.1648 1.0820 -0.0758 132 4 12.2482 189.4110 254.8725 1.0778 -0.0722 133 4 12.1505 188.2718 246.8130 1.0736 -0.0685 134 4 12.0509 187.2629 238.9911 1.0694 -0.0649 135 4 11.9495 186.3884 231.4101 1.0654 -0.0614 136 4 11.8465 185.6511 224.0714 1.0614 -0.0578 137 4 11.7419 185.0526 216.9731 1.0575 -0.0543 138 4 11.6358 184.5935 210.1093 1.0536 -0.0509 139 4 11.5284 184.2733 203.4714 1.0499 -0.0475 140 4 11.4198 184.0914 197.0517 1.0462 -0.0442 141 4 11.3100 184.0475 190.8511 1.0426 -0.0409 142 4 11.1993 184.1433 184.8954 1.0391 -0.0376 143 4 11.0876 184.3815 179.2566 1.0356 -0.0343 144 4 10.9751 184.7639 174.0780 1.0321 -0.0311 145 4 10.8620 185.2837 169.5882 1.0287 -0.0279 146 4 10.7483 185.9107 166.0849 1.0256 -0.0250 147 4 10.6342 186.5666 163.8754 1.0230 -0.0225 148 4 10.5197 187.0940 163.1740 1.0214 -0.0210 149 4 10.4050 187.2401 163.9843 1.0211 -0.0207 150 4 10.2902 186.7049 166.0137 1.0222 -0.0217 151 4 10.1754 185.2703 168.6691 1.0238 -0.0232 152 4 10.0608 182.9008 171.1644 1.0252 -0.0246 153 4 9.9464 179.7362 172.7224 1.0257 -0.0251 154 4 9.8323 176.0456 172.7942 1.0250 -0.0244 155 4 9.7187 172.1456 171.1961 1.0233 -0.0227 156 4 9.6057 168.2890 168.1014 1.0208 -0.0204 157 4 9.4933 164.6226 163.9106 1.0182 -0.0178 158 4 9.3818 161.2121 159.0856 1.0155 -0.0153 159 4 9.2711 158.0763 154.0302 1.0131 -0.0129 160 4 9.1615 155.2085 149.0478 1.0108 -0.0107 161 4 9.0529 152.5913 144.3540 1.0089 -0.0088 162 4 8.9456 150.2013 140.1093 1.0072 -0.0071 163 4 8.8396 148.0069 136.4383 1.0058 -0.0058 164 4 8.7350 145.9656 133.4272 1.0048 -0.0048 165 4 8.6319 144.0190 131.1050 1.0043 -0.0043 166 4 8.5305 142.0962 129.4294 1.0042 -0.0042 167 4 8.4307 140.1346 128.2956 1.0045 -0.0045 168 4 8.3328 160.3473 194.1397 1.0238 -0.0233 169 4 8.2367 158.0880 191.2092 1.0239 -0.0233 170 4 8.1427 155.9074 188.3508 1.0238 -0.0232 171 4 8.0507 153.8319 185.5012 1.0236 -0.0230 172 4 7.9608 151.8779 182.6352 1.0234 -0.0228 173 4 7.8732 150.0510 179.7396 1.0231 -0.0226 174 4 7.7880 148.3495 176.7997 1.0229 -0.0224 175 4 7.7051 146.7690 173.7942 1.0227 -0.0222 176 4 7.6247 145.3041 170.6954 1.0224 -0.0219 177 4 7.5468 143.9500 167.4740 1.0221 -0.0216 178 4 7.4716 142.7029 164.1040 1.0217 -0.0212 179 4 7.3990 141.5604 160.5676 1.0212 -0.0208 180 4 7.3292 140.5208 156.8579 1.0206 -0.0202 181 4 7.2623 139.5836 152.9794 1.0198 -0.0195 182 4 7.1982 138.7482 148.9476 1.0189 -0.0185 183 4 7.1370 138.0137 144.7874 1.0178 -0.0175 184 4 7.0788 137.3783 140.5302 1.0164 -0.0162 185 4 7.0237 136.8381 136.2121 1.0149 -0.0147 186 4 6.9717 136.3874 131.8707 1.0132 -0.0130 187 4 6.9228 136.0180 127.5434 1.0114 -0.0112 188 4 6.8770 135.7188 123.2653 1.0094 -0.0093 189 4 6.8345 135.4758 119.0680 1.0074 -0.0073 190 4 6.7953 135.2655 114.9785 1.0053 -0.0053 191 4 6.7594 135.0748 111.0186 1.0032 -0.0032 192 4 6.7267 134.8961 107.2047 1.0012 -0.0012 193 4 6.6975 134.7020 103.5484 0.9992 0.0008 194 4 6.6716 134.4691 100.0562 0.9973 0.0027 195 4 6.6491 134.1725 96.7307 0.9955 0.0045 196 4 6.6301 133.7928 93.5711 0.9938 0.0063 197 4 6.6145 133.3131 90.5739 0.9922 0.0079 198 4 6.6023 132.7160 87.7339 0.9907 0.0093 199 4 6.5936 131.9859 85.0450 0.9894 0.0107 200 4 6.5884 131.1094 82.5004 0.9881 0.0120 201 4 6.5867 130.0753 80.0932 0.9870 0.0132 Unfolding on the coarse grid elphon_wrap : 1.55s CPU 1.55s WALL ( 1 calls) INITIALIZATION: init_vloc : 0.00s CPU 0.00s WALL ( 2 calls) init_us_1 : 0.05s CPU 0.05s WALL ( 2 calls) Electron-Phonon interpolation ephwann : 1.36s CPU 1.38s WALL ( 1 calls) ep-interp : 1.27s CPU 1.29s WALL ( 201 calls) DynW2B : 0.01s CPU 0.01s WALL ( 201 calls) HamW2B : 0.28s CPU 0.29s WALL ( 20604 calls) ephW2Bp : 0.06s CPU 0.06s WALL ( 201 calls) Total program execution EPW : 3.20s CPU 3.22s WALL