Program turboEELS v.6.0 (svn rev. 13298) starts on 10Feb2017 at 9:44:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 8 processors R & G space division: proc/nbgrp/npool/nimage = 8 Reading data from directory: ./out/Ag.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 = PBE ( 1 4 3 4 0 0) Any further DFT definition will be discarded Please, verify this is what you really want file Ag.pbe-dn-rrkjus_psl.0.1.UPF: wavefunction(s) 4D renormalized Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 81 39 13 1376 479 92 Max 82 40 14 1380 484 95 Sum 649 313 109 11017 3839 749 Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used ---------------------------------------- Please cite this project as: I. Timrov, N. Vast, R. Gebauer, and S. Baroni, Electron energy loss and inelastic x-ray scattering cross sections from time-dependent density-functional perturbation theory Phys. Rev. B 88, 064301 (2013); ibid. 91, 139901 (2015). and I. Timrov, N. Vast, R. Gebauer, and S. Baroni, turboEELS - A code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville - Lanczos approach to time-dependent density-functional perturbation theory Comp. Phys. Commun. 196, 460 (2015). ---------------------------------------- Using the TDDFT approximation. Using the pseudo-Hermitian Lanczos algorithm. Ultrasoft (Vanderbilt) Pseudopotentials ------------ Nscf calculation --------------- Info: using nr1, nr2, nr3 values from input Info: using nr1, nr2, nr3 values from input Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 81 39 13 1376 479 92 Max 82 40 14 1380 484 95 Sum 649 313 109 11017 3839 749 bravais-lattice index = 2 lattice parameter (alat) = 7.7170 a.u. unit-cell volume = 114.8909 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 11.00 number of Kohn-Sham states= 10 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) celldm(1)= 7.717000 celldm(2)= 0.000000 celldm(3)= 0.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( -0.500000 0.000000 0.500000 ) a(2) = ( 0.000000 0.500000 0.500000 ) a(3) = ( -0.500000 0.500000 0.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( -1.000000 -1.000000 1.000000 ) b(2) = ( 1.000000 1.000000 1.000000 ) b(3) = ( -1.000000 1.000000 -1.000000 ) PseudoPot. # 1 for Ag read from file: ./Ag.pbe-dn-rrkjus_psl.0.1.UPF MD5 check sum: c8914742e10774a361517133f8a53ff1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Using radial grid of 1237 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ag 11.00 107.86820 Ag( 1.00) 48 Sym. Ops., with inversion, found Cartesian axes site n. atom positions (alat units) 1 Ag tau( 1) = ( 0.0000000 0.0000000 0.0000000 ) number of k points= 80 Marzari-Vanderbilt smearing, width (Ry)= 0.0200 cart. coord. in units 2pi/alat k( 1) = ( -0.1250000 0.1250000 0.1250000), wk = 0.0312500 k( 2) = ( -0.1250000 0.1250000 0.1760450), wk = 0.0000000 k( 3) = ( -0.3750000 0.3750000 -0.1250000), wk = 0.0312500 k( 4) = ( -0.3750000 0.3750000 -0.0739550), wk = 0.0000000 k( 5) = ( 0.3750000 -0.3750000 0.6250000), wk = 0.0312500 k( 6) = ( 0.3750000 -0.3750000 0.6760450), wk = 0.0000000 k( 7) = ( 0.1250000 -0.1250000 0.3750000), wk = 0.0312500 k( 8) = ( 0.1250000 -0.1250000 0.4260450), wk = 0.0000000 k( 9) = ( -0.1250000 0.6250000 0.1250000), wk = 0.0625000 k( 10) = ( -0.1250000 0.6250000 0.1760450), wk = 0.0000000 k( 11) = ( 0.6250000 -0.1250000 0.8750000), wk = 0.0625000 k( 12) = ( 0.6250000 -0.1250000 0.9260450), wk = 0.0000000 k( 13) = ( 0.3750000 0.1250000 0.6250000), wk = 0.0625000 k( 14) = ( 0.3750000 0.1250000 0.6760450), wk = 0.0000000 k( 15) = ( -0.1250000 -0.8750000 0.1250000), wk = 0.0625000 k( 16) = ( -0.1250000 -0.8750000 0.1760450), wk = 0.0000000 k( 17) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0312500 k( 18) = ( -0.3750000 0.3750000 0.4260450), wk = 0.0000000 k( 19) = ( 0.3750000 -0.3750000 1.1250000), wk = 0.0312500 k( 20) = ( 0.3750000 -0.3750000 1.1760450), wk = 0.0000000 k( 21) = ( 0.1250000 -0.1250000 -0.1250000), wk = 0.0312500 k( 22) = ( 0.1250000 -0.1250000 -0.0739550), wk = 0.0000000 k( 23) = ( -0.1250000 -0.3750000 -0.3750000), wk = 0.0625000 k( 24) = ( -0.1250000 -0.3750000 -0.3239550), wk = 0.0000000 k( 25) = ( 0.1250000 -0.3750000 0.3750000), wk = 0.0625000 k( 26) = ( 0.1250000 -0.3750000 0.4260450), wk = 0.0000000 k( 27) = ( 0.3750000 -0.3750000 0.1250000), wk = 0.0312500 k( 28) = ( 0.3750000 -0.3750000 0.1760450), wk = 0.0000000 k( 29) = ( 0.6250000 0.3750000 0.3750000), wk = 0.0625000 k( 30) = ( 0.6250000 0.3750000 0.4260450), wk = 0.0000000 k( 31) = ( -0.6250000 0.3750000 -0.3750000), wk = 0.0625000 k( 32) = ( -0.6250000 0.3750000 -0.3239550), wk = 0.0000000 k( 33) = ( -0.3750000 0.3750000 -0.6250000), wk = 0.0312500 k( 34) = ( -0.3750000 0.3750000 -0.5739550), wk = 0.0000000 k( 35) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0625000 k( 36) = ( 0.3750000 0.1250000 0.1760450), wk = 0.0000000 k( 37) = ( -0.3750000 0.1250000 -0.1250000), wk = 0.0625000 k( 38) = ( -0.3750000 0.1250000 -0.0739550), wk = 0.0000000 k( 39) = ( -0.1250000 0.1250000 -0.3750000), wk = 0.0312500 k( 40) = ( -0.1250000 0.1250000 -0.3239550), wk = 0.0000000 k( 41) = ( 0.1250000 -0.6250000 -0.1250000), wk = 0.0625000 k( 42) = ( 0.1250000 -0.6250000 -0.0739550), wk = 0.0000000 k( 43) = ( 0.1250000 0.1250000 0.6250000), wk = 0.0312500 k( 44) = ( 0.1250000 0.1250000 0.6760450), wk = 0.0000000 k( 45) = ( 0.1250000 -0.1250000 -0.6250000), wk = 0.0312500 k( 46) = ( 0.1250000 -0.1250000 -0.5739550), wk = 0.0000000 k( 47) = ( 0.8750000 0.1250000 0.6250000), wk = 0.0625000 k( 48) = ( 0.8750000 0.1250000 0.6760450), wk = 0.0000000 k( 49) = ( -0.8750000 0.1250000 -0.6250000), wk = 0.0625000 k( 50) = ( -0.8750000 0.1250000 -0.5739550), wk = 0.0000000 k( 51) = ( -0.6250000 0.8750000 -0.1250000), wk = 0.0625000 k( 52) = ( -0.6250000 0.8750000 -0.0739550), wk = 0.0000000 k( 53) = ( -0.6250000 -0.8750000 0.1250000), wk = 0.0625000 k( 54) = ( -0.6250000 -0.8750000 0.1760450), wk = 0.0000000 k( 55) = ( -0.6250000 0.1250000 -0.8750000), wk = 0.0625000 k( 56) = ( -0.6250000 0.1250000 -0.8239550), wk = 0.0000000 k( 57) = ( 0.6250000 -0.1250000 0.3750000), wk = 0.0625000 k( 58) = ( 0.6250000 -0.1250000 0.4260450), wk = 0.0000000 k( 59) = ( -0.6250000 -0.1250000 -0.3750000), wk = 0.0625000 k( 60) = ( -0.6250000 -0.1250000 -0.3239550), wk = 0.0000000 k( 61) = ( -0.3750000 0.6250000 0.1250000), wk = 0.0625000 k( 62) = ( -0.3750000 0.6250000 0.1760450), wk = 0.0000000 k( 63) = ( -0.3750000 -0.6250000 -0.1250000), wk = 0.0625000 k( 64) = ( -0.3750000 -0.6250000 -0.0739550), wk = 0.0000000 k( 65) = ( -0.3750000 -0.1250000 -0.6250000), wk = 0.0625000 k( 66) = ( -0.3750000 -0.1250000 -0.5739550), wk = 0.0000000 k( 67) = ( 0.1250000 0.8750000 -0.1250000), wk = 0.0625000 k( 68) = ( 0.1250000 0.8750000 -0.0739550), wk = 0.0000000 k( 69) = ( 0.1250000 0.1250000 -0.8750000), wk = 0.0312500 k( 70) = ( 0.1250000 0.1250000 -0.8239550), wk = 0.0000000 k( 71) = ( 0.1250000 -0.1250000 0.8750000), wk = 0.0312500 k( 72) = ( 0.1250000 -0.1250000 0.9260450), wk = 0.0000000 k( 73) = ( 0.3750000 -0.3750000 -0.3750000), wk = 0.0312500 k( 74) = ( 0.3750000 -0.3750000 -0.3239550), wk = 0.0000000 k( 75) = ( 1.1250000 0.3750000 0.3750000), wk = 0.0625000 k( 76) = ( 1.1250000 0.3750000 0.4260450), wk = 0.0000000 k( 77) = ( -1.1250000 0.3750000 -0.3750000), wk = 0.0625000 k( 78) = ( -1.1250000 0.3750000 -0.3239550), wk = 0.0000000 k( 79) = ( -0.3750000 0.3750000 -1.1250000), wk = 0.0312500 k( 80) = ( -0.3750000 0.3750000 -1.0739550), wk = 0.0000000 Dense grid: 11017 G-vectors FFT dimensions: ( 32, 32, 32) Smooth grid: 3839 G-vectors FFT dimensions: ( 24, 24, 24) Estimated max dynamical RAM per process > 0.59MB Estimated total allocated dynamical RAM > 4.72MB The potential is recalculated from file : ./out/tmp_eels/Ag.save/charge-density.dat Starting wfc are 9 atomic + 1 random wfc Band Structure Calculation Davidson diagonalization with overlap ethr = 9.09E-11, avg # of iterations = 17.1 total cpu time spent up to now is -1.0 secs End of band structure calculation k =-0.1250 0.1250 0.1250 ( 513 PWs) bands (ev): 5.7678 8.2547 8.4630 8.4630 9.3518 9.3518 29.1009 30.9456 33.3128 33.3128 k =-0.1250 0.1250 0.1760 ( 507 PWs) bands (ev): 5.9121 8.2275 8.4964 8.5008 9.3062 9.3956 28.5591 30.8174 32.7757 33.7289 k =-0.3750 0.3750-0.1250 ( 497 PWs) bands (ev): 7.1735 8.2880 8.6312 8.7044 9.3321 10.5985 23.0421 27.2940 31.6207 33.9742 k =-0.3750 0.3750-0.0740 ( 499 PWs) bands (ev): 7.3047 8.1029 8.5588 8.8140 9.1911 10.6333 23.8545 26.4045 31.9135 34.0646 k = 0.3750-0.3750 0.6250 ( 487 PWs) bands (ev): 6.9882 8.1678 8.5595 9.3644 10.2080 13.4084 17.3554 27.9701 29.6048 30.0074 k = 0.3750-0.3750 0.6760 ( 487 PWs) bands (ev): 7.0769 8.1056 8.6436 9.2113 10.1884 14.0581 17.0902 27.0336 29.2681 29.9079 k = 0.1250-0.1250 0.3750 ( 497 PWs) bands (ev): 6.7884 7.9458 8.6338 8.7721 9.3858 9.6672 26.3221 30.0437 30.1924 32.6799 k = 0.1250-0.1250 0.4260 ( 492 PWs) bands (ev): 7.0152 7.8549 8.6192 8.8718 9.5944 9.7529 25.7643 29.3144 29.9524 31.7798 k =-0.1250 0.6250 0.1250 ( 488 PWs) bands (ev): 7.2199 7.4762 9.0250 9.3397 10.0791 11.2049 23.7447 26.5992 26.7626 30.2872 k =-0.1250 0.6250 0.1760 ( 490 PWs) bands (ev): 7.2410 7.5907 8.8574 9.2792 10.0910 11.4608 23.0270 26.6873 26.7484 30.4670 k = 0.6250-0.1250 0.8750 ( 491 PWs) bands (ev): 7.3571 7.6533 8.6091 9.4867 10.2348 16.4783 18.9975 21.9682 23.7762 32.8506 k = 0.6250-0.1250 0.9260 ( 490 PWs) bands (ev): 7.3650 7.5964 8.6046 9.5409 10.2714 16.3414 19.8297 21.8106 22.8835 33.6032 k = 0.3750 0.1250 0.6250 ( 490 PWs) bands (ev): 7.4517 8.0313 8.3663 9.1272 9.9006 12.8544 20.5297 25.0082 27.3983 32.6756 k = 0.3750 0.1250 0.6760 ( 489 PWs) bands (ev): 7.4660 7.9179 8.3872 9.2314 9.9952 13.5073 20.1218 24.6349 26.2731 32.6967 k =-0.1250-0.8750 0.1250 ( 482 PWs) bands (ev): 6.8921 7.0649 9.7941 9.8912 10.3125 14.5171 21.1442 22.1869 24.7838 30.2420 k =-0.1250-0.8750 0.1760 ( 483 PWs) bands (ev): 6.9486 7.1575 9.5850 9.8292 10.2985 14.8279 21.0253 21.7184 24.8767 30.3654 k =-0.3750 0.3750 0.3750 ( 492 PWs) bands (ev): 6.8073 8.4025 8.4025 9.9629 9.9629 10.6188 19.6294 29.5109 31.9174 31.9174 k =-0.3750 0.3750 0.4260 ( 490 PWs) bands (ev): 6.8030 8.3722 8.3968 9.9054 10.0553 11.0660 19.0643 29.3828 31.3724 31.9812 k = 0.3750-0.3750 1.1250 ( 487 PWs) bands (ev): 7.4329 7.9988 8.6250 9.0626 9.9320 15.3113 18.1445 22.9625 28.4393 30.1043 k = 0.3750-0.3750 1.1760 ( 488 PWs) bands (ev): 7.3591 7.9861 8.7710 8.9510 10.0158 15.2705 17.4763 23.9978 28.5798 30.0362 k = 0.1250-0.1250-0.1250 ( 513 PWs) bands (ev): 5.7678 8.2547 8.4630 8.4630 9.3518 9.3518 29.1009 30.9456 33.3128 33.3128 k = 0.1250-0.1250-0.0740 ( 513 PWs) bands (ev): 5.6704 8.2602 8.4380 8.4528 9.3223 9.3868 29.5613 31.0483 32.8990 33.7010 k =-0.1250-0.3750-0.3750 ( 497 PWs) bands (ev): 7.1735 8.2880 8.6312 8.7044 9.3321 10.5985 23.0421 27.2940 31.6207 33.9742 k =-0.1250-0.3750-0.3240 ( 495 PWs) bands (ev): 7.0923 8.2651 8.5864 8.7080 9.3249 10.3155 23.6507 27.8372 31.7456 34.1408 k = 0.1250-0.3750 0.3750 ( 497 PWs) bands (ev): 7.1735 8.2880 8.6312 8.7044 9.3321 10.5985 23.0421 27.2940 31.6207 33.9742 k = 0.1250-0.3750 0.4260 ( 497 PWs) bands (ev): 7.2491 8.2815 8.5999 8.7544 9.4085 10.9323 22.4654 26.7732 31.2179 33.3518 k = 0.3750-0.3750 0.1250 ( 497 PWs) bands (ev): 7.1735 8.2880 8.6312 8.7044 9.3321 10.5985 23.0421 27.2940 31.6207 33.9742 k = 0.3750-0.3750 0.1760 ( 496 PWs) bands (ev): 7.0539 8.3939 8.6089 8.8328 9.4740 10.5476 22.2639 28.1594 31.3282 33.7765 k = 0.6250 0.3750 0.3750 ( 487 PWs) bands (ev): 6.9882 8.1678 8.5595 9.3644 10.2080 13.4084 17.3554 27.9701 29.6048 30.0074 k = 0.6250 0.3750 0.4260 ( 487 PWs) bands (ev): 6.9489 8.1840 8.5138 9.5063 10.1890 13.5263 17.0095 28.1670 29.4361 30.5009 k =-0.6250 0.3750-0.3750 ( 487 PWs) bands (ev): 6.9882 8.1678 8.5595 9.3644 10.2080 13.4084 17.3554 27.9701 29.6048 30.0074 k =-0.6250 0.3750-0.3240 ( 489 PWs) bands (ev): 7.0471 8.1450 8.6251 9.1906 10.2047 13.2706 17.8335 27.7846 28.8531 30.3579 k =-0.3750 0.3750-0.6250 ( 487 PWs) bands (ev): 6.9882 8.1678 8.5595 9.3644 10.2080 13.4084 17.3554 27.9701 29.6048 30.0074 k =-0.3750 0.3750-0.5740 ( 487 PWs) bands (ev): 6.9135 8.2300 8.4911 9.5158 10.2033 12.7592 17.7080 28.6719 29.9918 30.3431 k = 0.3750 0.1250 0.1250 ( 497 PWs) bands (ev): 6.7884 7.9458 8.6338 8.7721 9.3858 9.6672 26.3221 30.0437 30.1924 32.6799 k = 0.3750 0.1250 0.1760 ( 494 PWs) bands (ev): 6.8544 8.0222 8.5922 8.7447 9.4365 9.7334 25.5934 29.5161 30.8071 32.9859 k =-0.3750 0.1250-0.1250 ( 497 PWs) bands (ev): 6.7884 7.9458 8.6338 8.7721 9.3858 9.6672 26.3221 30.0437 30.1924 32.6799 k =-0.3750 0.1250-0.0740 ( 496 PWs) bands (ev): 6.7409 7.8938 8.6691 8.8135 9.2830 9.6673 27.0759 29.3435 30.7406 32.3050 k =-0.1250 0.1250-0.3750 ( 497 PWs) bands (ev): 6.7884 7.9458 8.6338 8.7721 9.3858 9.6672 26.3221 30.0437 30.1924 32.6799 k =-0.1250 0.1250-0.3240 ( 497 PWs) bands (ev): 6.5393 8.0339 8.6363 8.6842 9.2680 9.5860 26.8907 30.3723 30.7812 33.4693 k = 0.1250-0.6250-0.1250 ( 488 PWs) bands (ev): 7.2199 7.4762 9.0250 9.3397 10.0791 11.2049 23.7447 26.5992 26.7626 30.2872 k = 0.1250-0.6250-0.0740 ( 489 PWs) bands (ev): 7.2173 7.3857 9.1291 9.4583 10.0129 11.0241 24.4779 26.4208 26.5414 30.4994 k = 0.1250 0.1250 0.6250 ( 488 PWs) bands (ev): 7.2199 7.4762 9.0250 9.3397 10.0791 11.2049 23.7447 26.5992 26.7626 30.2872 k = 0.1250 0.1250 0.6760 ( 485 PWs) bands (ev): 7.1538 7.3694 9.2125 9.4678 10.1490 11.8070 23.2864 25.4471 26.2247 30.2426 k = 0.1250-0.1250-0.6250 ( 488 PWs) bands (ev): 7.2199 7.4762 9.0250 9.3397 10.0791 11.2049 23.7447 26.5992 26.7626 30.2872 k = 0.1250-0.1250-0.5740 ( 493 PWs) bands (ev): 7.2633 7.5816 8.8476 9.2117 10.0011 10.6734 24.2319 27.3557 27.7391 30.3824 k = 0.8750 0.1250 0.6250 ( 491 PWs) bands (ev): 7.3571 7.6533 8.6091 9.4867 10.2348 16.4783 18.9975 21.9682 23.7762 32.8506 k = 0.8750 0.1250 0.6760 ( 487 PWs) bands (ev): 7.2303 7.5218 8.8511 9.5860 10.2460 16.0153 19.5479 21.7886 24.1518 32.0469 k =-0.8750 0.1250-0.6250 ( 491 PWs) bands (ev): 7.3571 7.6533 8.6091 9.4867 10.2348 16.4783 18.9975 21.9682 23.7762 32.8506 k =-0.8750 0.1250-0.5740 ( 490 PWs) bands (ev): 7.4800 7.7683 8.3983 9.4032 10.2277 16.9520 18.4697 22.1716 23.4274 33.6430 k =-0.6250 0.8750-0.1250 ( 491 PWs) bands (ev): 7.3571 7.6533 8.6091 9.4867 10.2348 16.4783 18.9975 21.9682 23.7762 32.8506 k =-0.6250 0.8750-0.0740 ( 489 PWs) bands (ev): 7.3239 7.6328 8.6583 9.5033 10.2688 17.2411 18.8571 21.0726 23.6546 32.8742 k =-0.6250-0.8750 0.1250 ( 491 PWs) bands (ev): 7.3571 7.6533 8.6091 9.4867 10.2348 16.4783 18.9975 21.9682 23.7762 32.8506 k =-0.6250-0.8750 0.1760 ( 489 PWs) bands (ev): 7.3985 7.6889 8.5475 9.4524 10.1885 15.6772 19.2040 22.9538 23.9752 32.8164 k =-0.6250 0.1250-0.8750 ( 491 PWs) bands (ev): 7.3571 7.6533 8.6091 9.4867 10.2348 16.4783 18.9975 21.9682 23.7762 32.8506 k =-0.6250 0.1250-0.8240 ( 493 PWs) bands (ev): 7.3543 7.7275 8.6137 9.4100 10.1844 16.6594 18.2191 22.1026 24.7651 32.1156 k = 0.6250-0.1250 0.3750 ( 490 PWs) bands (ev): 7.4517 8.0313 8.3663 9.1272 9.9006 12.8544 20.5297 25.0082 27.3983 32.6756 k = 0.6250-0.1250 0.4260 ( 492 PWs) bands (ev): 7.5025 8.0048 8.4466 9.0735 9.8567 13.2860 19.9764 24.5151 27.6813 32.6515 k =-0.6250-0.1250-0.3750 ( 490 PWs) bands (ev): 7.4517 8.0313 8.3663 9.1272 9.9006 12.8544 20.5297 25.0082 27.3983 32.6756 k =-0.6250-0.1250-0.3240 ( 490 PWs) bands (ev): 7.3884 7.9749 8.3960 9.1733 9.9588 12.4524 21.1188 25.5199 27.1575 32.2125 k =-0.3750 0.6250 0.1250 ( 490 PWs) bands (ev): 7.4517 8.0313 8.3663 9.1272 9.9006 12.8544 20.5297 25.0082 27.3983 32.6756 k =-0.3750 0.6250 0.1760 ( 490 PWs) bands (ev): 7.3238 8.0614 8.5514 8.9975 10.0184 12.9284 19.7400 25.9945 27.4701 32.0161 k =-0.3750-0.6250-0.1250 ( 490 PWs) bands (ev): 7.4517 8.0313 8.3663 9.1272 9.9006 12.8544 20.5297 25.0082 27.3983 32.6756 k =-0.3750-0.6250-0.0740 ( 490 PWs) bands (ev): 7.5914 7.9922 8.2015 9.2692 9.7682 12.8058 21.3711 24.0346 27.3538 33.3538 k =-0.3750-0.1250-0.6250 ( 490 PWs) bands (ev): 7.4517 8.0313 8.3663 9.1272 9.9006 12.8544 20.5297 25.0082 27.3983 32.6756 k =-0.3750-0.1250-0.5740 ( 490 PWs) bands (ev): 7.4189 8.1396 8.3779 9.0207 9.7874 12.2631 20.9766 25.4151 28.5203 32.6896 k = 0.1250 0.8750-0.1250 ( 482 PWs) bands (ev): 6.8921 7.0649 9.7941 9.8912 10.3125 14.5171 21.1442 22.1869 24.7838 30.2420 k = 0.1250 0.8750-0.0740 ( 483 PWs) bands (ev): 6.8569 6.9991 9.8812 10.0129 10.3132 14.2911 21.1491 22.8008 24.4608 30.4093 k = 0.1250 0.1250-0.8750 ( 482 PWs) bands (ev): 6.8921 7.0649 9.7941 9.8912 10.3125 14.5171 21.1442 22.1869 24.7838 30.2420 k = 0.1250 0.1250-0.8240 ( 480 PWs) bands (ev): 6.9475 7.1183 9.6827 9.8034 10.2890 13.8154 21.9354 22.5779 25.0422 30.2319 k = 0.1250-0.1250 0.8750 ( 482 PWs) bands (ev): 6.8921 7.0649 9.7941 9.8912 10.3125 14.5171 21.1442 22.1869 24.7838 30.2420 k = 0.1250-0.1250 0.9260 ( 484 PWs) bands (ev): 6.8531 7.0299 9.8709 9.9550 10.3247 15.1263 20.4110 21.9893 24.6103 30.2510 k = 0.3750-0.3750-0.3750 ( 492 PWs) bands (ev): 6.8073 8.4025 8.4025 9.9629 9.9629 10.6188 19.6294 29.5109 31.9174 31.9174 k = 0.3750-0.3750-0.3240 ( 492 PWs) bands (ev): 6.8354 8.4221 8.4281 9.8122 9.8539 10.4106 20.2410 29.5728 31.5178 32.4740 k = 1.1250 0.3750 0.3750 ( 487 PWs) bands (ev): 7.4329 7.9988 8.6250 9.0626 9.9320 15.3113 18.1445 22.9625 28.4393 30.1043 k = 1.1250 0.3750 0.4260 ( 490 PWs) bands (ev): 7.4730 8.0034 8.6331 9.0072 9.8775 14.7349 18.5642 23.2951 28.5737 30.5220 k =-1.1250 0.3750-0.3750 ( 487 PWs) bands (ev): 7.4329 7.9988 8.6250 9.0626 9.9320 15.3113 18.1445 22.9625 28.4393 30.1043 k =-1.1250 0.3750-0.3240 ( 490 PWs) bands (ev): 7.3983 7.9575 8.6178 9.1410 9.9974 15.9203 17.7725 22.6778 27.6832 30.3467 k =-0.3750 0.3750-1.1250 ( 487 PWs) bands (ev): 7.4329 7.9988 8.6250 9.0626 9.9320 15.3113 18.1445 22.9625 28.4393 30.1043 k =-0.3750 0.3750-1.0740 ( 493 PWs) bands (ev): 7.4776 8.0487 8.4903 9.1599 9.8520 15.2931 18.9288 21.9768 28.3470 30.1567 the Fermi energy is 13.0162 ev Writing output data file Ag.save bravais-lattice index = 2 lattice parameter (a_0) = 7.7170 a.u. unit-cell volume = 114.8909 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 kinetic-energy cut-off = 40.0000 Ry charge density cut-off = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) celldm(1)= 7.71700 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 Ag 107.8682 tau( 1) = ( 0.00000 0.00000 0.00000 ) Linear response calculation for q = ( 0.0000000 0.0000000 0.0510450 ) 8 Sym.Ops. (no q -> -q+G ) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 0 1 -1 ) ( 1 0 -1 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 90 deg rotation - cart. axis [0,0,-1] cryst. s( 3) = ( 0 1 0 ) ( 0 1 -1 ) ( -1 1 0 ) cart. s( 3) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 90 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 -1 ) ( 1 0 0 ) ( 1 -1 0 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 1 0 -1 ) ( 1 -1 0 ) cart. s( 5) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( 0 1 -1 ) ( 0 1 0 ) ( -1 1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 7) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 8) = ( 1 0 -1 ) ( 0 1 -1 ) ( 0 0 -1 ) cart. s( 8) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) G cutoff = 482.7111 ( 1377 G-vectors) FFT grid: ( 32, 32, 32) G cutoff = 241.3555 ( 480 G-vectors) smooth grid: ( 24, 24, 24) number of k points= 80 Marzari-Vanderbilt smearing, width (Ry)= 0.0200 cart. coord. in units 2pi/a_0 k( 1) = ( -0.1250000 0.1250000 0.1250000), wk = 0.0312500 k( 2) = ( -0.1250000 0.1250000 0.1760450), wk = 0.0000000 k( 3) = ( -0.3750000 0.3750000 -0.1250000), wk = 0.0312500 k( 4) = ( -0.3750000 0.3750000 -0.0739550), wk = 0.0000000 k( 5) = ( 0.3750000 -0.3750000 0.6250000), wk = 0.0312500 k( 6) = ( 0.3750000 -0.3750000 0.6760450), wk = 0.0000000 k( 7) = ( 0.1250000 -0.1250000 0.3750000), wk = 0.0312500 k( 8) = ( 0.1250000 -0.1250000 0.4260450), wk = 0.0000000 k( 9) = ( -0.1250000 0.6250000 0.1250000), wk = 0.0625000 k( 10) = ( -0.1250000 0.6250000 0.1760450), wk = 0.0000000 k( 11) = ( 0.6250000 -0.1250000 0.8750000), wk = 0.0625000 k( 12) = ( 0.6250000 -0.1250000 0.9260450), wk = 0.0000000 k( 13) = ( 0.3750000 0.1250000 0.6250000), wk = 0.0625000 k( 14) = ( 0.3750000 0.1250000 0.6760450), wk = 0.0000000 k( 15) = ( -0.1250000 -0.8750000 0.1250000), wk = 0.0625000 k( 16) = ( -0.1250000 -0.8750000 0.1760450), wk = 0.0000000 k( 17) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0312500 k( 18) = ( -0.3750000 0.3750000 0.4260450), wk = 0.0000000 k( 19) = ( 0.3750000 -0.3750000 1.1250000), wk = 0.0312500 k( 20) = ( 0.3750000 -0.3750000 1.1760450), wk = 0.0000000 k( 21) = ( 0.1250000 -0.1250000 -0.1250000), wk = 0.0312500 k( 22) = ( 0.1250000 -0.1250000 -0.0739550), wk = 0.0000000 k( 23) = ( -0.1250000 -0.3750000 -0.3750000), wk = 0.0625000 k( 24) = ( -0.1250000 -0.3750000 -0.3239550), wk = 0.0000000 k( 25) = ( 0.1250000 -0.3750000 0.3750000), wk = 0.0625000 k( 26) = ( 0.1250000 -0.3750000 0.4260450), wk = 0.0000000 k( 27) = ( 0.3750000 -0.3750000 0.1250000), wk = 0.0312500 k( 28) = ( 0.3750000 -0.3750000 0.1760450), wk = 0.0000000 k( 29) = ( 0.6250000 0.3750000 0.3750000), wk = 0.0625000 k( 30) = ( 0.6250000 0.3750000 0.4260450), wk = 0.0000000 k( 31) = ( -0.6250000 0.3750000 -0.3750000), wk = 0.0625000 k( 32) = ( -0.6250000 0.3750000 -0.3239550), wk = 0.0000000 k( 33) = ( -0.3750000 0.3750000 -0.6250000), wk = 0.0312500 k( 34) = ( -0.3750000 0.3750000 -0.5739550), wk = 0.0000000 k( 35) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0625000 k( 36) = ( 0.3750000 0.1250000 0.1760450), wk = 0.0000000 k( 37) = ( -0.3750000 0.1250000 -0.1250000), wk = 0.0625000 k( 38) = ( -0.3750000 0.1250000 -0.0739550), wk = 0.0000000 k( 39) = ( -0.1250000 0.1250000 -0.3750000), wk = 0.0312500 k( 40) = ( -0.1250000 0.1250000 -0.3239550), wk = 0.0000000 k( 41) = ( 0.1250000 -0.6250000 -0.1250000), wk = 0.0625000 k( 42) = ( 0.1250000 -0.6250000 -0.0739550), wk = 0.0000000 k( 43) = ( 0.1250000 0.1250000 0.6250000), wk = 0.0312500 k( 44) = ( 0.1250000 0.1250000 0.6760450), wk = 0.0000000 k( 45) = ( 0.1250000 -0.1250000 -0.6250000), wk = 0.0312500 k( 46) = ( 0.1250000 -0.1250000 -0.5739550), wk = 0.0000000 k( 47) = ( 0.8750000 0.1250000 0.6250000), wk = 0.0625000 k( 48) = ( 0.8750000 0.1250000 0.6760450), wk = 0.0000000 k( 49) = ( -0.8750000 0.1250000 -0.6250000), wk = 0.0625000 k( 50) = ( -0.8750000 0.1250000 -0.5739550), wk = 0.0000000 k( 51) = ( -0.6250000 0.8750000 -0.1250000), wk = 0.0625000 k( 52) = ( -0.6250000 0.8750000 -0.0739550), wk = 0.0000000 k( 53) = ( -0.6250000 -0.8750000 0.1250000), wk = 0.0625000 k( 54) = ( -0.6250000 -0.8750000 0.1760450), wk = 0.0000000 k( 55) = ( -0.6250000 0.1250000 -0.8750000), wk = 0.0625000 k( 56) = ( -0.6250000 0.1250000 -0.8239550), wk = 0.0000000 k( 57) = ( 0.6250000 -0.1250000 0.3750000), wk = 0.0625000 k( 58) = ( 0.6250000 -0.1250000 0.4260450), wk = 0.0000000 k( 59) = ( -0.6250000 -0.1250000 -0.3750000), wk = 0.0625000 k( 60) = ( -0.6250000 -0.1250000 -0.3239550), wk = 0.0000000 k( 61) = ( -0.3750000 0.6250000 0.1250000), wk = 0.0625000 k( 62) = ( -0.3750000 0.6250000 0.1760450), wk = 0.0000000 k( 63) = ( -0.3750000 -0.6250000 -0.1250000), wk = 0.0625000 k( 64) = ( -0.3750000 -0.6250000 -0.0739550), wk = 0.0000000 k( 65) = ( -0.3750000 -0.1250000 -0.6250000), wk = 0.0625000 k( 66) = ( -0.3750000 -0.1250000 -0.5739550), wk = 0.0000000 k( 67) = ( 0.1250000 0.8750000 -0.1250000), wk = 0.0625000 k( 68) = ( 0.1250000 0.8750000 -0.0739550), wk = 0.0000000 k( 69) = ( 0.1250000 0.1250000 -0.8750000), wk = 0.0312500 k( 70) = ( 0.1250000 0.1250000 -0.8239550), wk = 0.0000000 k( 71) = ( 0.1250000 -0.1250000 0.8750000), wk = 0.0312500 k( 72) = ( 0.1250000 -0.1250000 0.9260450), wk = 0.0000000 k( 73) = ( 0.3750000 -0.3750000 -0.3750000), wk = 0.0312500 k( 74) = ( 0.3750000 -0.3750000 -0.3239550), wk = 0.0000000 k( 75) = ( 1.1250000 0.3750000 0.3750000), wk = 0.0625000 k( 76) = ( 1.1250000 0.3750000 0.4260450), wk = 0.0000000 k( 77) = ( -1.1250000 0.3750000 -0.3750000), wk = 0.0625000 k( 78) = ( -1.1250000 0.3750000 -0.3239550), wk = 0.0000000 k( 79) = ( -0.3750000 0.3750000 -1.1250000), wk = 0.0312500 k( 80) = ( -0.3750000 0.3750000 -1.0739550), wk = 0.0000000 PseudoPot. # 1 for Ag read from file: ./Ag.pbe-dn-rrkjus_psl.0.1.UPF MD5 check sum: c8914742e10774a361517133f8a53ff1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Using radial grid of 1237 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients lr_eels_main, per-process dynamical memory: 16.0Mb LANCZOS LINEAR-RESPONSE SPECTRUM CALCULATION Number of Lanczos iterations = 500 Lanczos iteration: 1 alpha(00000001)= 0.000000 beta (00000001)= 0.137706 gamma(00000001)= 0.137706 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 2 alpha(00000002)= 0.000000 beta (00000002)= 9.200400 gamma(00000002)= 9.200400 z1= 1 0.153445071953702E-01 -0.120930858227694E-09 Lanczos iteration: 3 alpha(00000003)= 0.000000 beta (00000003)= 15.571070 gamma(00000003)= 15.571070 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 4 alpha(00000004)= 0.000000 beta (00000004)= 22.800114 gamma(00000004)= 22.800114 z1= 1 -0.105502942159947E-01 0.859475819598408E-10 Lanczos iteration: 5 alpha(00000005)= 0.000000 beta (00000005)= 20.374237 gamma(00000005)= 20.374237 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 6 alpha(00000006)= 0.000000 beta (00000006)= 22.867906 gamma(00000006)= 22.867906 z1= 1 0.947301009309301E-02 -0.134679634733100E-09 Lanczos iteration: 7 alpha(00000007)= 0.000000 beta (00000007)= 19.878404 gamma(00000007)= 19.878404 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 8 alpha(00000008)= 0.000000 beta (00000008)= 16.831924 gamma(00000008)= 16.831924 z1= 1 -0.112930089008062E-01 0.206198390919002E-09 Lanczos iteration: 9 alpha(00000009)= 0.000000 beta (00000009)= 18.824597 gamma(00000009)= 18.824597 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 10 alpha(00000010)= 0.000000 beta (00000010)= 17.793414 gamma(00000010)= 17.793414 z1= 1 0.120246957066038E-01 -0.322563107902651E-09 Lanczos iteration: 11 alpha(00000011)= 0.000000 beta (00000011)= 17.840344 gamma(00000011)= 17.840344 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 12 alpha(00000012)= 0.000000 beta (00000012)= 19.993596 gamma(00000012)= 19.993596 z1= 1 -0.107871890065552E-01 0.271833504073506E-09 Lanczos iteration: 13 alpha(00000013)= 0.000000 beta (00000013)= 18.702452 gamma(00000013)= 18.702452 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 14 alpha(00000014)= 0.000000 beta (00000014)= 21.450685 gamma(00000014)= 21.450685 z1= 1 0.944950570159739E-02 -0.165318734121522E-09 Lanczos iteration: 15 alpha(00000015)= 0.000000 beta (00000015)= 19.252198 gamma(00000015)= 19.252198 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 16 alpha(00000016)= 0.000000 beta (00000016)= 21.401320 gamma(00000016)= 21.401320 z1= 1 -0.854948289916616E-02 0.459211361871241E-10 Lanczos iteration: 17 alpha(00000017)= 0.000000 beta (00000017)= 18.668094 gamma(00000017)= 18.668094 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 18 alpha(00000018)= 0.000000 beta (00000018)= 20.269820 gamma(00000018)= 20.269820 z1= 1 0.792180986110683E-02 0.135622154355040E-09 Lanczos iteration: 19 alpha(00000019)= 0.000000 beta (00000019)= 19.069264 gamma(00000019)= 19.069264 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 20 alpha(00000020)= 0.000000 beta (00000020)= 19.527578 gamma(00000020)= 19.527578 z1= 1 -0.779056704416075E-02 -0.304992276450953E-09 Lanczos iteration: 21 alpha(00000021)= 0.000000 beta (00000021)= 19.695113 gamma(00000021)= 19.695113 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 22 alpha(00000022)= 0.000000 beta (00000022)= 19.736716 gamma(00000022)= 19.736716 z1= 1 0.782220718773861E-02 0.395689955043077E-09 Lanczos iteration: 23 alpha(00000023)= 0.000000 beta (00000023)= 19.640189 gamma(00000023)= 19.640189 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 24 alpha(00000024)= 0.000000 beta (00000024)= 19.979179 gamma(00000024)= 19.979179 z1= 1 -0.773678677297048E-02 -0.451056686685451E-09 Lanczos iteration: 25 alpha(00000025)= 0.000000 beta (00000025)= 19.401205 gamma(00000025)= 19.401205 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 26 alpha(00000026)= 0.000000 beta (00000026)= 20.184163 gamma(00000026)= 20.184163 z1= 1 0.748073401441477E-02 0.514346857447388E-09 Lanczos iteration: 27 alpha(00000027)= 0.000000 beta (00000027)= 19.199138 gamma(00000027)= 19.199138 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 28 alpha(00000028)= 0.000000 beta (00000028)= 20.572294 gamma(00000028)= 20.572294 z1= 1 -0.702089389851634E-02 -0.508282932327742E-09 Lanczos iteration: 29 alpha(00000029)= 0.000000 beta (00000029)= 18.979736 gamma(00000029)= 18.979736 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 30 alpha(00000030)= 0.000000 beta (00000030)= 20.742324 gamma(00000030)= 20.742324 z1= 1 0.646176717374267E-02 0.547573123693269E-09 Lanczos iteration: 31 alpha(00000031)= 0.000000 beta (00000031)= 19.160189 gamma(00000031)= 19.160189 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 32 alpha(00000032)= 0.000000 beta (00000032)= 20.538137 gamma(00000032)= 20.538137 z1= 1 -0.606043526757805E-02 -0.548440890709246E-09 Lanczos iteration: 33 alpha(00000033)= 0.000000 beta (00000033)= 19.493207 gamma(00000033)= 19.493207 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 34 alpha(00000034)= 0.000000 beta (00000034)= 20.008351 gamma(00000034)= 20.008351 z1= 1 0.593407730917846E-02 0.491699296241116E-09 Lanczos iteration: 35 alpha(00000035)= 0.000000 beta (00000035)= 19.726442 gamma(00000035)= 19.726442 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 36 alpha(00000036)= 0.000000 beta (00000036)= 19.934290 gamma(00000036)= 19.934290 z1= 1 -0.589288285670309E-02 -0.405449799242776E-09 Lanczos iteration: 37 alpha(00000037)= 0.000000 beta (00000037)= 19.800612 gamma(00000037)= 19.800612 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 38 alpha(00000038)= 0.000000 beta (00000038)= 20.054278 gamma(00000038)= 20.054278 z1= 1 0.583295896624886E-02 0.342524917752814E-09 Lanczos iteration: 39 alpha(00000039)= 0.000000 beta (00000039)= 19.557316 gamma(00000039)= 19.557316 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 40 alpha(00000040)= 0.000000 beta (00000040)= 20.380035 gamma(00000040)= 20.380035 z1= 1 -0.560743301533401E-02 -0.235891014722721E-09 Lanczos iteration: 41 alpha(00000041)= 0.000000 beta (00000041)= 19.225917 gamma(00000041)= 19.225917 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 42 alpha(00000042)= 0.000000 beta (00000042)= 20.105997 gamma(00000042)= 20.105997 z1= 1 0.537031779576272E-02 0.123993802889186E-09 Lanczos iteration: 43 alpha(00000043)= 0.000000 beta (00000043)= 19.055203 gamma(00000043)= 19.055203 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 44 alpha(00000044)= 0.000000 beta (00000044)= 20.534469 gamma(00000044)= 20.534469 z1= 1 -0.499309964607966E-02 -0.275267379803601E-10 Lanczos iteration: 45 alpha(00000045)= 0.000000 beta (00000045)= 19.551129 gamma(00000045)= 19.551129 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 46 alpha(00000046)= 0.000000 beta (00000046)= 20.382838 gamma(00000046)= 20.382838 z1= 1 0.479890280986889E-02 -0.988561998042628E-10 Lanczos iteration: 47 alpha(00000047)= 0.000000 beta (00000047)= 19.352144 gamma(00000047)= 19.352144 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 48 alpha(00000048)= 0.000000 beta (00000048)= 19.897079 gamma(00000048)= 19.897079 z1= 1 -0.468025380417581E-02 0.195655825786442E-09 Lanczos iteration: 49 alpha(00000049)= 0.000000 beta (00000049)= 19.642441 gamma(00000049)= 19.642441 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 50 alpha(00000050)= 0.000000 beta (00000050)= 19.616747 gamma(00000050)= 19.616747 z1= 1 0.470104993258529E-02 -0.247396524531474E-09 Lanczos iteration: 51 alpha(00000051)= 0.000000 beta (00000051)= 19.707647 gamma(00000051)= 19.707647 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 52 alpha(00000052)= 0.000000 beta (00000052)= 19.436047 gamma(00000052)= 19.436047 z1= 1 -0.478345718369920E-02 0.382375578725448E-09 Lanczos iteration: 53 alpha(00000053)= 0.000000 beta (00000053)= 19.662439 gamma(00000053)= 19.662439 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 54 alpha(00000054)= 0.000000 beta (00000054)= 20.302219 gamma(00000054)= 20.302219 z1= 1 0.464943481166505E-02 -0.497341480347974E-09 Lanczos iteration: 55 alpha(00000055)= 0.000000 beta (00000055)= 19.363880 gamma(00000055)= 19.363880 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 56 alpha(00000056)= 0.000000 beta (00000056)= 20.188524 gamma(00000056)= 20.188524 z1= 1 -0.447439071380558E-02 0.617481021117581E-09 Lanczos iteration: 57 alpha(00000057)= 0.000000 beta (00000057)= 19.095238 gamma(00000057)= 19.095238 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 58 alpha(00000058)= 0.000000 beta (00000058)= 20.547999 gamma(00000058)= 20.547999 z1= 1 0.417223420173058E-02 -0.763648702280112E-09 Lanczos iteration: 59 alpha(00000059)= 0.000000 beta (00000059)= 19.001141 gamma(00000059)= 19.001141 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 60 alpha(00000060)= 0.000000 beta (00000060)= 19.840583 gamma(00000060)= 19.840583 z1= 1 -0.400628148813912E-02 0.810207283219603E-09 Lanczos iteration: 61 alpha(00000061)= 0.000000 beta (00000061)= 19.685511 gamma(00000061)= 19.685511 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 62 alpha(00000062)= 0.000000 beta (00000062)= 19.788914 gamma(00000062)= 19.788914 z1= 1 0.399300029606648E-02 -0.786664409964927E-09 Lanczos iteration: 63 alpha(00000063)= 0.000000 beta (00000063)= 19.712933 gamma(00000063)= 19.712933 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 64 alpha(00000064)= 0.000000 beta (00000064)= 19.797684 gamma(00000064)= 19.797684 z1= 1 -0.397804593032811E-02 0.778648111946300E-09 Lanczos iteration: 65 alpha(00000065)= 0.000000 beta (00000065)= 19.691155 gamma(00000065)= 19.691155 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 66 alpha(00000066)= 0.000000 beta (00000066)= 19.969313 gamma(00000066)= 19.969313 z1= 1 0.392062822296851E-02 -0.839049477741671E-09 Lanczos iteration: 67 alpha(00000067)= 0.000000 beta (00000067)= 19.327498 gamma(00000067)= 19.327498 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 68 alpha(00000068)= 0.000000 beta (00000068)= 19.938418 gamma(00000068)= 19.938418 z1= 1 -0.379657701991735E-02 0.739333482526474E-09 Lanczos iteration: 69 alpha(00000069)= 0.000000 beta (00000069)= 19.492533 gamma(00000069)= 19.492533 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 70 alpha(00000070)= 0.000000 beta (00000070)= 19.978644 gamma(00000070)= 19.978644 z1= 1 0.369859802924584E-02 -0.733190699184151E-09 Lanczos iteration: 71 alpha(00000071)= 0.000000 beta (00000071)= 19.378298 gamma(00000071)= 19.378298 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 72 alpha(00000072)= 0.000000 beta (00000072)= 20.292259 gamma(00000072)= 20.292259 z1= 1 -0.352945338035692E-02 0.583507678898508E-09 Lanczos iteration: 73 alpha(00000073)= 0.000000 beta (00000073)= 19.480059 gamma(00000073)= 19.480059 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 74 alpha(00000074)= 0.000000 beta (00000074)= 19.856871 gamma(00000074)= 19.856871 z1= 1 0.345975892963362E-02 -0.460935961215525E-09 Lanczos iteration: 75 alpha(00000075)= 0.000000 beta (00000075)= 19.775240 gamma(00000075)= 19.775240 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 76 alpha(00000076)= 0.000000 beta (00000076)= 19.624875 gamma(00000076)= 19.624875 z1= 1 -0.348803620056030E-02 0.442790384919389E-09 Lanczos iteration: 77 alpha(00000077)= 0.000000 beta (00000077)= 19.593732 gamma(00000077)= 19.593732 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 78 alpha(00000078)= 0.000000 beta (00000078)= 19.932714 gamma(00000078)= 19.932714 z1= 1 0.343149039720118E-02 -0.299185759277660E-09 Lanczos iteration: 79 alpha(00000079)= 0.000000 beta (00000079)= 19.545250 gamma(00000079)= 19.545250 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 80 alpha(00000080)= 0.000000 beta (00000080)= 19.980214 gamma(00000080)= 19.980214 z1= 1 -0.336237924501618E-02 0.114853659914038E-09 Lanczos iteration: 81 alpha(00000081)= 0.000000 beta (00000081)= 19.491192 gamma(00000081)= 19.491192 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 82 alpha(00000082)= 0.000000 beta (00000082)= 20.214944 gamma(00000082)= 20.214944 z1= 1 0.324665113136216E-02 0.131840061416360E-09 Lanczos iteration: 83 alpha(00000083)= 0.000000 beta (00000083)= 19.539554 gamma(00000083)= 19.539554 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 84 alpha(00000084)= 0.000000 beta (00000084)= 20.109903 gamma(00000084)= 20.109903 z1= 1 -0.315777177903091E-02 -0.280709711385543E-09 Lanczos iteration: 85 alpha(00000085)= 0.000000 beta (00000085)= 19.464530 gamma(00000085)= 19.464530 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 86 alpha(00000086)= 0.000000 beta (00000086)= 19.684071 gamma(00000086)= 19.684071 z1= 1 0.312356118183472E-02 0.413450466271745E-09 Lanczos iteration: 87 alpha(00000087)= 0.000000 beta (00000087)= 19.586545 gamma(00000087)= 19.586545 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 88 alpha(00000088)= 0.000000 beta (00000088)= 20.108749 gamma(00000088)= 20.108749 z1= 1 -0.303961215736664E-02 -0.507966692599335E-09 Lanczos iteration: 89 alpha(00000089)= 0.000000 beta (00000089)= 19.678351 gamma(00000089)= 19.678351 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 90 alpha(00000090)= 0.000000 beta (00000090)= 19.995028 gamma(00000090)= 19.995028 z1= 1 0.298405046500581E-02 0.701127472705892E-09 Lanczos iteration: 91 alpha(00000091)= 0.000000 beta (00000091)= 19.597502 gamma(00000091)= 19.597502 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 92 alpha(00000092)= 0.000000 beta (00000092)= 19.908271 gamma(00000092)= 19.908271 z1= 1 -0.292688361820675E-02 -0.932008886400951E-09 Lanczos iteration: 93 alpha(00000093)= 0.000000 beta (00000093)= 19.681010 gamma(00000093)= 19.681010 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 94 alpha(00000094)= 0.000000 beta (00000094)= 20.116469 gamma(00000094)= 20.116469 z1= 1 0.284918873751058E-02 0.109116726297396E-08 Lanczos iteration: 95 alpha(00000095)= 0.000000 beta (00000095)= 19.296964 gamma(00000095)= 19.296964 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 96 alpha(00000096)= 0.000000 beta (00000096)= 19.904316 gamma(00000096)= 19.904316 z1= 1 -0.274866542483853E-02 -0.107794673655105E-08 Lanczos iteration: 97 alpha(00000097)= 0.000000 beta (00000097)= 19.536350 gamma(00000097)= 19.536350 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 98 alpha(00000098)= 0.000000 beta (00000098)= 19.975624 gamma(00000098)= 19.975624 z1= 1 0.267234425584482E-02 0.105816143994110E-08 Lanczos iteration: 99 alpha(00000099)= 0.000000 beta (00000099)= 19.766993 gamma(00000099)= 19.766993 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 100 alpha(00000100)= 0.000000 beta (00000100)= 19.857195 gamma(00000100)= 19.857195 z1= 1 -0.264994468586419E-02 -0.110186104735251E-08 Lanczos iteration: 101 alpha(00000101)= 0.000000 beta (00000101)= 19.573711 gamma(00000101)= 19.573711 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 102 alpha(00000102)= 0.000000 beta (00000102)= 20.084118 gamma(00000102)= 20.084118 z1= 1 0.257221772952294E-02 0.109810172039418E-08 Lanczos iteration: 103 alpha(00000103)= 0.000000 beta (00000103)= 19.420175 gamma(00000103)= 19.420175 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 104 alpha(00000104)= 0.000000 beta (00000104)= 20.051529 gamma(00000104)= 20.051529 z1= 1 -0.248884163657498E-02 -0.974733986196392E-09 Lanczos iteration: 105 alpha(00000105)= 0.000000 beta (00000105)= 19.254507 gamma(00000105)= 19.254507 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 106 alpha(00000106)= 0.000000 beta (00000106)= 20.123269 gamma(00000106)= 20.123269 z1= 1 0.238017758803616E-02 0.792069241526815E-09 Lanczos iteration: 107 alpha(00000107)= 0.000000 beta (00000107)= 19.691502 gamma(00000107)= 19.691502 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 108 alpha(00000108)= 0.000000 beta (00000108)= 19.767407 gamma(00000108)= 19.767407 z1= 1 -0.237640622333978E-02 -0.713178908355191E-09 Lanczos iteration: 109 alpha(00000109)= 0.000000 beta (00000109)= 19.577094 gamma(00000109)= 19.577094 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 110 alpha(00000110)= 0.000000 beta (00000110)= 20.020185 gamma(00000110)= 20.020185 z1= 1 0.232673476119344E-02 0.584534308042691E-09 Lanczos iteration: 111 alpha(00000111)= 0.000000 beta (00000111)= 19.599471 gamma(00000111)= 19.599471 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 112 alpha(00000112)= 0.000000 beta (00000112)= 20.015844 gamma(00000112)= 20.015844 z1= 1 -0.228288900222513E-02 -0.517160756244436E-09 Lanczos iteration: 113 alpha(00000113)= 0.000000 beta (00000113)= 19.354642 gamma(00000113)= 19.354642 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 114 alpha(00000114)= 0.000000 beta (00000114)= 20.222929 gamma(00000114)= 20.222929 z1= 1 0.218398909633302E-02 0.224639675464835E-09 Lanczos iteration: 115 alpha(00000115)= 0.000000 beta (00000115)= 19.576826 gamma(00000115)= 19.576826 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 116 alpha(00000116)= 0.000000 beta (00000116)= 19.876803 gamma(00000116)= 19.876803 z1= 1 -0.214894309141601E-02 -0.798584754874167E-11 Lanczos iteration: 117 alpha(00000117)= 0.000000 beta (00000117)= 19.638353 gamma(00000117)= 19.638353 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 118 alpha(00000118)= 0.000000 beta (00000118)= 20.152757 gamma(00000118)= 20.152757 z1= 1 0.208326331160410E-02 -0.178345445798187E-09 Lanczos iteration: 119 alpha(00000119)= 0.000000 beta (00000119)= 19.570317 gamma(00000119)= 19.570317 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 120 alpha(00000120)= 0.000000 beta (00000120)= 19.910577 gamma(00000120)= 19.910577 z1= 1 -0.203608397774997E-02 0.406679793766925E-09 Lanczos iteration: 121 alpha(00000121)= 0.000000 beta (00000121)= 19.664319 gamma(00000121)= 19.664319 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 122 alpha(00000122)= 0.000000 beta (00000122)= 20.077535 gamma(00000122)= 20.077535 z1= 1 0.197595909136054E-02 -0.550018970258886E-09 Lanczos iteration: 123 alpha(00000123)= 0.000000 beta (00000123)= 19.470680 gamma(00000123)= 19.470680 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 124 alpha(00000124)= 0.000000 beta (00000124)= 20.125370 gamma(00000124)= 20.125370 z1= 1 -0.189976548087592E-02 0.643384882542005E-09 Lanczos iteration: 125 alpha(00000125)= 0.000000 beta (00000125)= 19.688028 gamma(00000125)= 19.688028 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 126 alpha(00000126)= 0.000000 beta (00000126)= 20.102437 gamma(00000126)= 20.102437 z1= 1 0.184423360814329E-02 -0.702015813206712E-09 Lanczos iteration: 127 alpha(00000127)= 0.000000 beta (00000127)= 19.487312 gamma(00000127)= 19.487312 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 128 alpha(00000128)= 0.000000 beta (00000128)= 20.033862 gamma(00000128)= 20.033862 z1= 1 -0.178740646153079E-02 0.681367233773583E-09 Lanczos iteration: 129 alpha(00000129)= 0.000000 beta (00000129)= 19.729191 gamma(00000129)= 19.729191 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 130 alpha(00000130)= 0.000000 beta (00000130)= 19.998197 gamma(00000130)= 19.998197 z1= 1 0.175409745172250E-02 -0.763440935422966E-09 Lanczos iteration: 131 alpha(00000131)= 0.000000 beta (00000131)= 19.651790 gamma(00000131)= 19.651790 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 132 alpha(00000132)= 0.000000 beta (00000132)= 19.979805 gamma(00000132)= 19.979805 z1= 1 -0.172661560626940E-02 0.766603116143264E-09 Lanczos iteration: 133 alpha(00000133)= 0.000000 beta (00000133)= 19.697791 gamma(00000133)= 19.697791 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 134 alpha(00000134)= 0.000000 beta (00000134)= 19.836308 gamma(00000134)= 19.836308 z1= 1 0.171273643741118E-02 -0.761505092579283E-09 Lanczos iteration: 135 alpha(00000135)= 0.000000 beta (00000135)= 19.676635 gamma(00000135)= 19.676635 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 136 alpha(00000136)= 0.000000 beta (00000136)= 20.010520 gamma(00000136)= 20.010520 z1= 1 -0.168730038674642E-02 0.819824823559807E-09 Lanczos iteration: 137 alpha(00000137)= 0.000000 beta (00000137)= 19.519692 gamma(00000137)= 19.519692 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 138 alpha(00000138)= 0.000000 beta (00000138)= 19.944039 gamma(00000138)= 19.944039 z1= 1 0.164994216536212E-02 -0.751843910558579E-09 Lanczos iteration: 139 alpha(00000139)= 0.000000 beta (00000139)= 19.859447 gamma(00000139)= 19.859447 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 140 alpha(00000140)= 0.000000 beta (00000140)= 20.054691 gamma(00000140)= 20.054691 z1= 1 -0.163309439851071E-02 0.771265974379681E-09 Lanczos iteration: 141 alpha(00000141)= 0.000000 beta (00000141)= 19.501649 gamma(00000141)= 19.501649 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 142 alpha(00000142)= 0.000000 beta (00000142)= 19.975378 gamma(00000142)= 19.975378 z1= 1 0.158902351528032E-02 -0.701132604366141E-09 Lanczos iteration: 143 alpha(00000143)= 0.000000 beta (00000143)= 19.601812 gamma(00000143)= 19.601812 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 144 alpha(00000144)= 0.000000 beta (00000144)= 19.838919 gamma(00000144)= 19.838919 z1= 1 -0.156293578973492E-02 0.702384610752361E-09 Lanczos iteration: 145 alpha(00000145)= 0.000000 beta (00000145)= 19.377096 gamma(00000145)= 19.377096 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 146 alpha(00000146)= 0.000000 beta (00000146)= 19.876019 gamma(00000146)= 19.876019 z1= 1 0.151216432382657E-02 -0.743278770887010E-09 Lanczos iteration: 147 alpha(00000147)= 0.000000 beta (00000147)= 19.435796 gamma(00000147)= 19.435796 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 148 alpha(00000148)= 0.000000 beta (00000148)= 19.837664 gamma(00000148)= 19.837664 z1= 1 -0.146936237143393E-02 0.696640234853802E-09 Lanczos iteration: 149 alpha(00000149)= 0.000000 beta (00000149)= 19.761578 gamma(00000149)= 19.761578 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 150 alpha(00000150)= 0.000000 beta (00000150)= 19.828762 gamma(00000150)= 19.828762 z1= 1 0.145108472419333E-02 -0.576703567029852E-09 Lanczos iteration: 151 alpha(00000151)= 0.000000 beta (00000151)= 19.507451 gamma(00000151)= 19.507451 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 152 alpha(00000152)= 0.000000 beta (00000152)= 20.156229 gamma(00000152)= 20.156229 z1= 1 -0.139547187379370E-02 0.450060423596389E-09 Lanczos iteration: 153 alpha(00000153)= 0.000000 beta (00000153)= 19.573169 gamma(00000153)= 19.573169 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 154 alpha(00000154)= 0.000000 beta (00000154)= 19.731073 gamma(00000154)= 19.731073 z1= 1 0.137749081791808E-02 -0.345753495862561E-09 Lanczos iteration: 155 alpha(00000155)= 0.000000 beta (00000155)= 19.574051 gamma(00000155)= 19.574051 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 156 alpha(00000156)= 0.000000 beta (00000156)= 19.900918 gamma(00000156)= 19.900918 z1= 1 -0.135440332139072E-02 0.320770018628674E-09 Lanczos iteration: 157 alpha(00000157)= 0.000000 beta (00000157)= 19.521275 gamma(00000157)= 19.521275 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 158 alpha(00000158)= 0.000000 beta (00000158)= 19.852301 gamma(00000158)= 19.852301 z1= 1 0.133359321603780E-02 -0.209056195984990E-09 Lanczos iteration: 159 alpha(00000159)= 0.000000 beta (00000159)= 19.448591 gamma(00000159)= 19.448591 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 160 alpha(00000160)= 0.000000 beta (00000160)= 19.878856 gamma(00000160)= 19.878856 z1= 1 -0.130990966483781E-02 0.993613447920394E-10 Lanczos iteration: 161 alpha(00000161)= 0.000000 beta (00000161)= 19.584149 gamma(00000161)= 19.584149 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 162 alpha(00000162)= 0.000000 beta (00000162)= 19.849355 gamma(00000162)= 19.849355 z1= 1 0.129744851315200E-02 -0.123590215600846E-09 Lanczos iteration: 163 alpha(00000163)= 0.000000 beta (00000163)= 19.463388 gamma(00000163)= 19.463388 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 164 alpha(00000164)= 0.000000 beta (00000164)= 19.812894 gamma(00000164)= 19.812894 z1= 1 -0.127857119693799E-02 -0.428466467884984E-10 Lanczos iteration: 165 alpha(00000165)= 0.000000 beta (00000165)= 19.547262 gamma(00000165)= 19.547262 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 166 alpha(00000166)= 0.000000 beta (00000166)= 19.830222 gamma(00000166)= 19.830222 z1= 1 0.126172898766580E-02 0.196569393620889E-09 Lanczos iteration: 167 alpha(00000167)= 0.000000 beta (00000167)= 19.544088 gamma(00000167)= 19.544088 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 168 alpha(00000168)= 0.000000 beta (00000168)= 20.114382 gamma(00000168)= 20.114382 z1= 1 -0.122268236009614E-02 -0.378661991360748E-09 Lanczos iteration: 169 alpha(00000169)= 0.000000 beta (00000169)= 19.466448 gamma(00000169)= 19.466448 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 170 alpha(00000170)= 0.000000 beta (00000170)= 19.947907 gamma(00000170)= 19.947907 z1= 1 0.118784562234475E-02 0.454514927582906E-09 Lanczos iteration: 171 alpha(00000171)= 0.000000 beta (00000171)= 19.439714 gamma(00000171)= 19.439714 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 172 alpha(00000172)= 0.000000 beta (00000172)= 19.786637 gamma(00000172)= 19.786637 z1= 1 -0.115742555727163E-02 -0.675352730345448E-09 Lanczos iteration: 173 alpha(00000173)= 0.000000 beta (00000173)= 19.451331 gamma(00000173)= 19.451331 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 174 alpha(00000174)= 0.000000 beta (00000174)= 19.853780 gamma(00000174)= 19.853780 z1= 1 0.112696541208332E-02 0.891894667083827E-09 Lanczos iteration: 175 alpha(00000175)= 0.000000 beta (00000175)= 19.440599 gamma(00000175)= 19.440599 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 176 alpha(00000176)= 0.000000 beta (00000176)= 19.904474 gamma(00000176)= 19.904474 z1= 1 -0.109207419154801E-02 -0.106884809217573E-08 Lanczos iteration: 177 alpha(00000177)= 0.000000 beta (00000177)= 19.457086 gamma(00000177)= 19.457086 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 178 alpha(00000178)= 0.000000 beta (00000178)= 20.031050 gamma(00000178)= 20.031050 z1= 1 0.105689534856330E-02 0.114980506540520E-08 Lanczos iteration: 179 alpha(00000179)= 0.000000 beta (00000179)= 19.383036 gamma(00000179)= 19.383036 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 180 alpha(00000180)= 0.000000 beta (00000180)= 19.981590 gamma(00000180)= 19.981590 z1= 1 -0.102070880166640E-02 -0.122188720658854E-08 Lanczos iteration: 181 alpha(00000181)= 0.000000 beta (00000181)= 19.568702 gamma(00000181)= 19.568702 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 182 alpha(00000182)= 0.000000 beta (00000182)= 20.053532 gamma(00000182)= 20.053532 z1= 1 0.997797155622964E-03 0.116692932724001E-08 Lanczos iteration: 183 alpha(00000183)= 0.000000 beta (00000183)= 19.474538 gamma(00000183)= 19.474538 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 184 alpha(00000184)= 0.000000 beta (00000184)= 20.281539 gamma(00000184)= 20.281539 z1= 1 -0.958598911194777E-03 -0.118718287045703E-08 Lanczos iteration: 185 alpha(00000185)= 0.000000 beta (00000185)= 19.397082 gamma(00000185)= 19.397082 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 186 alpha(00000186)= 0.000000 beta (00000186)= 20.004813 gamma(00000186)= 20.004813 z1= 1 0.934955593177422E-03 0.105487731237244E-08 Lanczos iteration: 187 alpha(00000187)= 0.000000 beta (00000187)= 19.640385 gamma(00000187)= 19.640385 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 188 alpha(00000188)= 0.000000 beta (00000188)= 19.966543 gamma(00000188)= 19.966543 z1= 1 -0.921350448902906E-03 -0.863246287007426E-09 Lanczos iteration: 189 alpha(00000189)= 0.000000 beta (00000189)= 19.489806 gamma(00000189)= 19.489806 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 190 alpha(00000190)= 0.000000 beta (00000190)= 20.026147 gamma(00000190)= 20.026147 z1= 1 0.901113057263402E-03 0.677477898829270E-09 Lanczos iteration: 191 alpha(00000191)= 0.000000 beta (00000191)= 19.673348 gamma(00000191)= 19.673348 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 192 alpha(00000192)= 0.000000 beta (00000192)= 20.165525 gamma(00000192)= 20.165525 z1= 1 -0.875782001752136E-03 -0.450155817210479E-09 Lanczos iteration: 193 alpha(00000193)= 0.000000 beta (00000193)= 19.855121 gamma(00000193)= 19.855121 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 194 alpha(00000194)= 0.000000 beta (00000194)= 19.979333 gamma(00000194)= 19.979333 z1= 1 0.869781519881388E-03 0.257564422141433E-09 Lanczos iteration: 195 alpha(00000195)= 0.000000 beta (00000195)= 19.780090 gamma(00000195)= 19.780090 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 196 alpha(00000196)= 0.000000 beta (00000196)= 20.003690 gamma(00000196)= 20.003690 z1= 1 -0.850601031261082E-03 -0.332829012338361E-10 Lanczos iteration: 197 alpha(00000197)= 0.000000 beta (00000197)= 19.664057 gamma(00000197)= 19.664057 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 198 alpha(00000198)= 0.000000 beta (00000198)= 20.062433 gamma(00000198)= 20.062433 z1= 1 0.828922189895863E-03 -0.173535359290000E-09 Lanczos iteration: 199 alpha(00000199)= 0.000000 beta (00000199)= 19.510630 gamma(00000199)= 19.510630 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 200 alpha(00000200)= 0.000000 beta (00000200)= 19.953232 gamma(00000200)= 19.953232 z1= 1 -0.799794545530347E-03 0.386848942550685E-09 Lanczos iteration: 201 alpha(00000201)= 0.000000 beta (00000201)= 19.710430 gamma(00000201)= 19.710430 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 202 alpha(00000202)= 0.000000 beta (00000202)= 19.831697 gamma(00000202)= 19.831697 z1= 1 0.792462287782983E-03 -0.519473582152167E-09 Lanczos iteration: 203 alpha(00000203)= 0.000000 beta (00000203)= 19.717617 gamma(00000203)= 19.717617 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 204 alpha(00000204)= 0.000000 beta (00000204)= 19.914017 gamma(00000204)= 19.914017 z1= 1 -0.779178336035600E-03 0.637542719748047E-09 Lanczos iteration: 205 alpha(00000205)= 0.000000 beta (00000205)= 19.629844 gamma(00000205)= 19.629844 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 206 alpha(00000206)= 0.000000 beta (00000206)= 19.914478 gamma(00000206)= 19.914478 z1= 1 0.770229928600441E-03 -0.673018195673509E-09 Lanczos iteration: 207 alpha(00000207)= 0.000000 beta (00000207)= 19.653709 gamma(00000207)= 19.653709 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 208 alpha(00000208)= 0.000000 beta (00000208)= 19.829179 gamma(00000208)= 19.829179 z1= 1 -0.763227773112926E-03 0.724803313026086E-09 Lanczos iteration: 209 alpha(00000209)= 0.000000 beta (00000209)= 19.736455 gamma(00000209)= 19.736455 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 210 alpha(00000210)= 0.000000 beta (00000210)= 19.816730 gamma(00000210)= 19.816730 z1= 1 0.764989986353473E-03 -0.595408890096245E-09 Lanczos iteration: 211 alpha(00000211)= 0.000000 beta (00000211)= 19.629935 gamma(00000211)= 19.629935 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 212 alpha(00000212)= 0.000000 beta (00000212)= 19.635816 gamma(00000212)= 19.635816 z1= 1 -0.765203083904788E-03 0.543877782509745E-09 Lanczos iteration: 213 alpha(00000213)= 0.000000 beta (00000213)= 19.686192 gamma(00000213)= 19.686192 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 214 alpha(00000214)= 0.000000 beta (00000214)= 19.853388 gamma(00000214)= 19.853388 z1= 1 0.759337982815540E-03 -0.480406426061964E-09 Lanczos iteration: 215 alpha(00000215)= 0.000000 beta (00000215)= 19.647992 gamma(00000215)= 19.647992 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 216 alpha(00000216)= 0.000000 beta (00000216)= 19.869080 gamma(00000216)= 19.869080 z1= 1 -0.747156575212409E-03 0.333345492176057E-09 Lanczos iteration: 217 alpha(00000217)= 0.000000 beta (00000217)= 19.632963 gamma(00000217)= 19.632963 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 218 alpha(00000218)= 0.000000 beta (00000218)= 19.933904 gamma(00000218)= 19.933904 z1= 1 0.733077912008711E-03 -0.276820088642713E-09 Lanczos iteration: 219 alpha(00000219)= 0.000000 beta (00000219)= 19.606407 gamma(00000219)= 19.606407 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 220 alpha(00000220)= 0.000000 beta (00000220)= 19.906538 gamma(00000220)= 19.906538 z1= 1 -0.715912977429230E-03 0.194064026176566E-09 Lanczos iteration: 221 alpha(00000221)= 0.000000 beta (00000221)= 19.520826 gamma(00000221)= 19.520826 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 222 alpha(00000222)= 0.000000 beta (00000222)= 19.875623 gamma(00000222)= 19.875623 z1= 1 0.697572385277945E-03 -0.325962304679692E-10 Lanczos iteration: 223 alpha(00000223)= 0.000000 beta (00000223)= 19.575783 gamma(00000223)= 19.575783 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 224 alpha(00000224)= 0.000000 beta (00000224)= 19.887231 gamma(00000224)= 19.887231 z1= 1 -0.679058424127079E-03 -0.866743567915522E-10 Lanczos iteration: 225 alpha(00000225)= 0.000000 beta (00000225)= 19.762845 gamma(00000225)= 19.762845 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 226 alpha(00000226)= 0.000000 beta (00000226)= 19.811738 gamma(00000226)= 19.811738 z1= 1 0.672580946966053E-03 0.156172783925096E-09 Lanczos iteration: 227 alpha(00000227)= 0.000000 beta (00000227)= 19.767067 gamma(00000227)= 19.767067 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 228 alpha(00000228)= 0.000000 beta (00000228)= 19.941584 gamma(00000228)= 19.941584 z1= 1 -0.659967065551484E-03 -0.833424943319167E-10 Lanczos iteration: 229 alpha(00000229)= 0.000000 beta (00000229)= 19.633285 gamma(00000229)= 19.633285 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 230 alpha(00000230)= 0.000000 beta (00000230)= 19.901570 gamma(00000230)= 19.901570 z1= 1 0.645676932696209E-03 -0.150283261697376E-10 Lanczos iteration: 231 alpha(00000231)= 0.000000 beta (00000231)= 19.501075 gamma(00000231)= 19.501075 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 232 alpha(00000232)= 0.000000 beta (00000232)= 19.829000 gamma(00000232)= 19.829000 z1= 1 -0.628109327927097E-03 0.243547791058426E-10 Lanczos iteration: 233 alpha(00000233)= 0.000000 beta (00000233)= 19.677519 gamma(00000233)= 19.677519 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 234 alpha(00000234)= 0.000000 beta (00000234)= 19.801809 gamma(00000234)= 19.801809 z1= 1 0.619938884088209E-03 -0.394196907838177E-10 Lanczos iteration: 235 alpha(00000235)= 0.000000 beta (00000235)= 19.700684 gamma(00000235)= 19.700684 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 236 alpha(00000236)= 0.000000 beta (00000236)= 19.837604 gamma(00000236)= 19.837604 z1= 1 -0.611859966219780E-03 0.137076963055438E-10 Lanczos iteration: 237 alpha(00000237)= 0.000000 beta (00000237)= 19.654556 gamma(00000237)= 19.654556 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 238 alpha(00000238)= 0.000000 beta (00000238)= 20.061311 gamma(00000238)= 20.061311 z1= 1 0.596223352487036E-03 -0.657782172693516E-10 Lanczos iteration: 239 alpha(00000239)= 0.000000 beta (00000239)= 19.605187 gamma(00000239)= 19.605187 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 240 alpha(00000240)= 0.000000 beta (00000240)= 19.910731 gamma(00000240)= 19.910731 z1= 1 -0.583111518530079E-03 0.121755146285631E-09 Lanczos iteration: 241 alpha(00000241)= 0.000000 beta (00000241)= 19.484290 gamma(00000241)= 19.484290 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 242 alpha(00000242)= 0.000000 beta (00000242)= 19.979892 gamma(00000242)= 19.979892 z1= 1 0.563739207743893E-03 -0.110104199738448E-09 Lanczos iteration: 243 alpha(00000243)= 0.000000 beta (00000243)= 19.495844 gamma(00000243)= 19.495844 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 244 alpha(00000244)= 0.000000 beta (00000244)= 19.934604 gamma(00000244)= 19.934604 z1= 1 -0.546976072910689E-03 0.133515409190589E-09 Lanczos iteration: 245 alpha(00000245)= 0.000000 beta (00000245)= 19.543835 gamma(00000245)= 19.543835 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 246 alpha(00000246)= 0.000000 beta (00000246)= 19.790835 gamma(00000246)= 19.790835 z1= 1 0.534445155926240E-03 -0.221014085479581E-09 Lanczos iteration: 247 alpha(00000247)= 0.000000 beta (00000247)= 19.731574 gamma(00000247)= 19.731574 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 248 alpha(00000248)= 0.000000 beta (00000248)= 19.819544 gamma(00000248)= 19.819544 z1= 1 -0.526462009748487E-03 0.256347990833140E-09 Lanczos iteration: 249 alpha(00000249)= 0.000000 beta (00000249)= 19.641883 gamma(00000249)= 19.641883 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 250 alpha(00000250)= 0.000000 beta (00000250)= 19.863708 gamma(00000250)= 19.863708 z1= 1 0.512675368564666E-03 -0.295784853252193E-09 Lanczos iteration: 251 alpha(00000251)= 0.000000 beta (00000251)= 19.656636 gamma(00000251)= 19.656636 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 252 alpha(00000252)= 0.000000 beta (00000252)= 19.903239 gamma(00000252)= 19.903239 z1= 1 -0.499836404666609E-03 0.341033693877995E-09 Lanczos iteration: 253 alpha(00000253)= 0.000000 beta (00000253)= 19.618425 gamma(00000253)= 19.618425 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 254 alpha(00000254)= 0.000000 beta (00000254)= 19.817821 gamma(00000254)= 19.817821 z1= 1 0.488158262481189E-03 -0.435132440758786E-09 Lanczos iteration: 255 alpha(00000255)= 0.000000 beta (00000255)= 19.805550 gamma(00000255)= 19.805550 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 256 alpha(00000256)= 0.000000 beta (00000256)= 19.879027 gamma(00000256)= 19.879027 z1= 1 -0.481179427468507E-03 0.425325546855287E-09 Lanczos iteration: 257 alpha(00000257)= 0.000000 beta (00000257)= 19.691397 gamma(00000257)= 19.691397 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 258 alpha(00000258)= 0.000000 beta (00000258)= 19.870395 gamma(00000258)= 19.870395 z1= 1 0.471051793247083E-03 -0.416549160534695E-09 Lanczos iteration: 259 alpha(00000259)= 0.000000 beta (00000259)= 19.802623 gamma(00000259)= 19.802623 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 260 alpha(00000260)= 0.000000 beta (00000260)= 19.889759 gamma(00000260)= 19.889759 z1= 1 -0.465491609535705E-03 0.419050341194953E-09 Lanczos iteration: 261 alpha(00000261)= 0.000000 beta (00000261)= 19.562472 gamma(00000261)= 19.562472 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 262 alpha(00000262)= 0.000000 beta (00000262)= 19.907543 gamma(00000262)= 19.907543 z1= 1 0.454347390003027E-03 -0.275078906148978E-09 Lanczos iteration: 263 alpha(00000263)= 0.000000 beta (00000263)= 19.508247 gamma(00000263)= 19.508247 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 264 alpha(00000264)= 0.000000 beta (00000264)= 19.983999 gamma(00000264)= 19.983999 z1= 1 -0.442254331730813E-03 0.181073655406743E-09 Lanczos iteration: 265 alpha(00000265)= 0.000000 beta (00000265)= 19.720046 gamma(00000265)= 19.720046 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 266 alpha(00000266)= 0.000000 beta (00000266)= 19.901424 gamma(00000266)= 19.901424 z1= 1 0.435270831257650E-03 -0.102943517793731E-10 Lanczos iteration: 267 alpha(00000267)= 0.000000 beta (00000267)= 19.716413 gamma(00000267)= 19.716413 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 268 alpha(00000268)= 0.000000 beta (00000268)= 20.003318 gamma(00000268)= 20.003318 z1= 1 -0.428564937575172E-03 -0.824534978995818E-10 Lanczos iteration: 269 alpha(00000269)= 0.000000 beta (00000269)= 19.608364 gamma(00000269)= 19.608364 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 270 alpha(00000270)= 0.000000 beta (00000270)= 19.822530 gamma(00000270)= 19.822530 z1= 1 0.421919945741226E-03 0.977582255167490E-10 Lanczos iteration: 271 alpha(00000271)= 0.000000 beta (00000271)= 19.668097 gamma(00000271)= 19.668097 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 272 alpha(00000272)= 0.000000 beta (00000272)= 19.883983 gamma(00000272)= 19.883983 z1= 1 -0.418251587204133E-03 -0.157253880149089E-09 Lanczos iteration: 273 alpha(00000273)= 0.000000 beta (00000273)= 19.555884 gamma(00000273)= 19.555884 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 274 alpha(00000274)= 0.000000 beta (00000274)= 19.821748 gamma(00000274)= 19.821748 z1= 1 0.409224613843654E-03 0.222176705198265E-09 Lanczos iteration: 275 alpha(00000275)= 0.000000 beta (00000275)= 19.672474 gamma(00000275)= 19.672474 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 276 alpha(00000276)= 0.000000 beta (00000276)= 20.090530 gamma(00000276)= 20.090530 z1= 1 -0.400028406468488E-03 -0.246819464288543E-09 Lanczos iteration: 277 alpha(00000277)= 0.000000 beta (00000277)= 19.715567 gamma(00000277)= 19.715567 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 278 alpha(00000278)= 0.000000 beta (00000278)= 19.956267 gamma(00000278)= 19.956267 z1= 1 0.390907746289918E-03 0.294195402889010E-09 Lanczos iteration: 279 alpha(00000279)= 0.000000 beta (00000279)= 19.727051 gamma(00000279)= 19.727051 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 280 alpha(00000280)= 0.000000 beta (00000280)= 19.873643 gamma(00000280)= 19.873643 z1= 1 -0.389536859500234E-03 -0.373136278368026E-09 Lanczos iteration: 281 alpha(00000281)= 0.000000 beta (00000281)= 19.674620 gamma(00000281)= 19.674620 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 282 alpha(00000282)= 0.000000 beta (00000282)= 19.817847 gamma(00000282)= 19.817847 z1= 1 0.384459722529880E-03 0.542382726260405E-09 Lanczos iteration: 283 alpha(00000283)= 0.000000 beta (00000283)= 19.672887 gamma(00000283)= 19.672887 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 284 alpha(00000284)= 0.000000 beta (00000284)= 19.873759 gamma(00000284)= 19.873759 z1= 1 -0.384334097200962E-03 -0.657758394634737E-09 Lanczos iteration: 285 alpha(00000285)= 0.000000 beta (00000285)= 19.510436 gamma(00000285)= 19.510436 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 286 alpha(00000286)= 0.000000 beta (00000286)= 20.098707 gamma(00000286)= 20.098707 z1= 1 0.372044534220229E-03 0.732582302186471E-09 Lanczos iteration: 287 alpha(00000287)= 0.000000 beta (00000287)= 19.724346 gamma(00000287)= 19.724346 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 288 alpha(00000288)= 0.000000 beta (00000288)= 19.999477 gamma(00000288)= 19.999477 z1= 1 -0.373634409162819E-03 -0.793074921363139E-09 Lanczos iteration: 289 alpha(00000289)= 0.000000 beta (00000289)= 19.728799 gamma(00000289)= 19.728799 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 290 alpha(00000290)= 0.000000 beta (00000290)= 20.003068 gamma(00000290)= 20.003068 z1= 1 0.369215404593867E-03 0.802569459128138E-09 Lanczos iteration: 291 alpha(00000291)= 0.000000 beta (00000291)= 19.734949 gamma(00000291)= 19.734949 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 292 alpha(00000292)= 0.000000 beta (00000292)= 19.851127 gamma(00000292)= 19.851127 z1= 1 -0.374508672858005E-03 -0.811162345210655E-09 Lanczos iteration: 293 alpha(00000293)= 0.000000 beta (00000293)= 19.781613 gamma(00000293)= 19.781613 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 294 alpha(00000294)= 0.000000 beta (00000294)= 19.872263 gamma(00000294)= 19.872263 z1= 1 0.372825288805548E-03 0.729301098478022E-09 Lanczos iteration: 295 alpha(00000295)= 0.000000 beta (00000295)= 19.711413 gamma(00000295)= 19.711413 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 296 alpha(00000296)= 0.000000 beta (00000296)= 19.908016 gamma(00000296)= 19.908016 z1= 1 -0.374752903769840E-03 -0.834445594464874E-09 Lanczos iteration: 297 alpha(00000297)= 0.000000 beta (00000297)= 19.705662 gamma(00000297)= 19.705662 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 298 alpha(00000298)= 0.000000 beta (00000298)= 20.003474 gamma(00000298)= 20.003474 z1= 1 0.368382325698695E-03 0.707305780121368E-09 Lanczos iteration: 299 alpha(00000299)= 0.000000 beta (00000299)= 19.664260 gamma(00000299)= 19.664260 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 300 alpha(00000300)= 0.000000 beta (00000300)= 19.914769 gamma(00000300)= 19.914769 z1= 1 -0.367851731949836E-03 -0.515865200070808E-09 Lanczos iteration: 301 alpha(00000301)= 0.000000 beta (00000301)= 19.633422 gamma(00000301)= 19.633422 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 302 alpha(00000302)= 0.000000 beta (00000302)= 19.947976 gamma(00000302)= 19.947976 z1= 1 0.361977411550491E-03 0.403464794326145E-09 Lanczos iteration: 303 alpha(00000303)= 0.000000 beta (00000303)= 19.654411 gamma(00000303)= 19.654411 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 304 alpha(00000304)= 0.000000 beta (00000304)= 19.835865 gamma(00000304)= 19.835865 z1= 1 -0.362136778503194E-03 -0.217900136827383E-09 Lanczos iteration: 305 alpha(00000305)= 0.000000 beta (00000305)= 19.701191 gamma(00000305)= 19.701191 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 306 alpha(00000306)= 0.000000 beta (00000306)= 19.790255 gamma(00000306)= 19.790255 z1= 1 0.360626769763306E-03 -0.651073695707669E-10 Lanczos iteration: 307 alpha(00000307)= 0.000000 beta (00000307)= 19.700106 gamma(00000307)= 19.700106 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 308 alpha(00000308)= 0.000000 beta (00000308)= 19.778388 gamma(00000308)= 19.778388 z1= 1 -0.360946368745223E-03 0.292491934698721E-09 Lanczos iteration: 309 alpha(00000309)= 0.000000 beta (00000309)= 19.642921 gamma(00000309)= 19.642921 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 310 alpha(00000310)= 0.000000 beta (00000310)= 19.863108 gamma(00000310)= 19.863108 z1= 1 0.357582080903073E-03 -0.416355017976512E-09 Lanczos iteration: 311 alpha(00000311)= 0.000000 beta (00000311)= 19.531219 gamma(00000311)= 19.531219 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 312 alpha(00000312)= 0.000000 beta (00000312)= 19.883719 gamma(00000312)= 19.883719 z1= 1 -0.353653313302539E-03 0.674406099948561E-09 Lanczos iteration: 313 alpha(00000313)= 0.000000 beta (00000313)= 19.577872 gamma(00000313)= 19.577872 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 314 alpha(00000314)= 0.000000 beta (00000314)= 19.879139 gamma(00000314)= 19.879139 z1= 1 0.351143259969966E-03 -0.658779288469363E-09 Lanczos iteration: 315 alpha(00000315)= 0.000000 beta (00000315)= 19.620571 gamma(00000315)= 19.620571 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 316 alpha(00000316)= 0.000000 beta (00000316)= 19.853580 gamma(00000316)= 19.853580 z1= 1 -0.351258222849040E-03 0.626205181482180E-09 Lanczos iteration: 317 alpha(00000317)= 0.000000 beta (00000317)= 19.592700 gamma(00000317)= 19.592700 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 318 alpha(00000318)= 0.000000 beta (00000318)= 19.825183 gamma(00000318)= 19.825183 z1= 1 0.351849287679196E-03 -0.644836395862113E-09 Lanczos iteration: 319 alpha(00000319)= 0.000000 beta (00000319)= 19.635458 gamma(00000319)= 19.635458 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 320 alpha(00000320)= 0.000000 beta (00000320)= 19.821285 gamma(00000320)= 19.821285 z1= 1 -0.353243470675673E-03 0.539967466779975E-09 Lanczos iteration: 321 alpha(00000321)= 0.000000 beta (00000321)= 19.524326 gamma(00000321)= 19.524326 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 322 alpha(00000322)= 0.000000 beta (00000322)= 19.987399 gamma(00000322)= 19.987399 z1= 1 0.348782285747629E-03 -0.400690128603309E-09 Lanczos iteration: 323 alpha(00000323)= 0.000000 beta (00000323)= 19.582573 gamma(00000323)= 19.582573 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 324 alpha(00000324)= 0.000000 beta (00000324)= 19.918205 gamma(00000324)= 19.918205 z1= 1 -0.346298370008102E-03 0.388010666370368E-09 Lanczos iteration: 325 alpha(00000325)= 0.000000 beta (00000325)= 19.529243 gamma(00000325)= 19.529243 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 326 alpha(00000326)= 0.000000 beta (00000326)= 19.907027 gamma(00000326)= 19.907027 z1= 1 0.342365776704136E-03 -0.341216128978282E-09 Lanczos iteration: 327 alpha(00000327)= 0.000000 beta (00000327)= 19.539134 gamma(00000327)= 19.539134 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 328 alpha(00000328)= 0.000000 beta (00000328)= 19.806282 gamma(00000328)= 19.806282 z1= 1 -0.340128848847826E-03 0.346324697464908E-09 Lanczos iteration: 329 alpha(00000329)= 0.000000 beta (00000329)= 19.723383 gamma(00000329)= 19.723383 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 330 alpha(00000330)= 0.000000 beta (00000330)= 19.946446 gamma(00000330)= 19.946446 z1= 1 0.338545959450603E-03 -0.467234944164191E-09 Lanczos iteration: 331 alpha(00000331)= 0.000000 beta (00000331)= 19.789684 gamma(00000331)= 19.789684 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 332 alpha(00000332)= 0.000000 beta (00000332)= 19.807649 gamma(00000332)= 19.807649 z1= 1 -0.340637302308524E-03 0.460979682382557E-09 Lanczos iteration: 333 alpha(00000333)= 0.000000 beta (00000333)= 19.834370 gamma(00000333)= 19.834370 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 334 alpha(00000334)= 0.000000 beta (00000334)= 19.769014 gamma(00000334)= 19.769014 z1= 1 0.346108825043592E-03 -0.399918448711092E-09 Lanczos iteration: 335 alpha(00000335)= 0.000000 beta (00000335)= 19.680053 gamma(00000335)= 19.680053 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 336 alpha(00000336)= 0.000000 beta (00000336)= 19.753566 gamma(00000336)= 19.753566 z1= 1 -0.348907679670495E-03 0.349141815112799E-09 Lanczos iteration: 337 alpha(00000337)= 0.000000 beta (00000337)= 19.677442 gamma(00000337)= 19.677442 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 338 alpha(00000338)= 0.000000 beta (00000338)= 19.800444 gamma(00000338)= 19.800444 z1= 1 0.352911843810715E-03 -0.309916232357999E-09 Lanczos iteration: 339 alpha(00000339)= 0.000000 beta (00000339)= 19.663697 gamma(00000339)= 19.663697 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 340 alpha(00000340)= 0.000000 beta (00000340)= 19.877836 gamma(00000340)= 19.877836 z1= 1 -0.353141072647483E-03 0.181173655267109E-09 Lanczos iteration: 341 alpha(00000341)= 0.000000 beta (00000341)= 19.755579 gamma(00000341)= 19.755579 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 342 alpha(00000342)= 0.000000 beta (00000342)= 19.904156 gamma(00000342)= 19.904156 z1= 1 0.357197723139056E-03 -0.142343563495311E-09 Lanczos iteration: 343 alpha(00000343)= 0.000000 beta (00000343)= 19.600792 gamma(00000343)= 19.600792 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 344 alpha(00000344)= 0.000000 beta (00000344)= 19.811053 gamma(00000344)= 19.811053 z1= 1 -0.356387304582500E-03 0.149090215896846E-09 Lanczos iteration: 345 alpha(00000345)= 0.000000 beta (00000345)= 19.643976 gamma(00000345)= 19.643976 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 346 alpha(00000346)= 0.000000 beta (00000346)= 19.935706 gamma(00000346)= 19.935706 z1= 1 0.356553097103801E-03 -0.747202150089498E-10 Lanczos iteration: 347 alpha(00000347)= 0.000000 beta (00000347)= 19.644273 gamma(00000347)= 19.644273 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 348 alpha(00000348)= 0.000000 beta (00000348)= 19.906717 gamma(00000348)= 19.906717 z1= 1 -0.352688390660762E-03 0.954447551816253E-10 Lanczos iteration: 349 alpha(00000349)= 0.000000 beta (00000349)= 19.739494 gamma(00000349)= 19.739494 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 350 alpha(00000350)= 0.000000 beta (00000350)= 19.682245 gamma(00000350)= 19.682245 z1= 1 0.358260628300178E-03 -0.695283870828387E-10 Lanczos iteration: 351 alpha(00000351)= 0.000000 beta (00000351)= 19.677400 gamma(00000351)= 19.677400 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 352 alpha(00000352)= 0.000000 beta (00000352)= 19.779167 gamma(00000352)= 19.779167 z1= 1 -0.356632895616113E-03 0.708466907788124E-10 Lanczos iteration: 353 alpha(00000353)= 0.000000 beta (00000353)= 19.603088 gamma(00000353)= 19.603088 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 354 alpha(00000354)= 0.000000 beta (00000354)= 19.851186 gamma(00000354)= 19.851186 z1= 1 0.355997000828513E-03 -0.112084154537573E-09 Lanczos iteration: 355 alpha(00000355)= 0.000000 beta (00000355)= 19.609259 gamma(00000355)= 19.609259 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 356 alpha(00000356)= 0.000000 beta (00000356)= 19.839866 gamma(00000356)= 19.839866 z1= 1 -0.350535980224042E-03 0.471639237990811E-10 Lanczos iteration: 357 alpha(00000357)= 0.000000 beta (00000357)= 19.847340 gamma(00000357)= 19.847340 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 358 alpha(00000358)= 0.000000 beta (00000358)= 19.948476 gamma(00000358)= 19.948476 z1= 1 0.352202050679042E-03 -0.585416009872369E-10 Lanczos iteration: 359 alpha(00000359)= 0.000000 beta (00000359)= 19.699965 gamma(00000359)= 19.699965 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 360 alpha(00000360)= 0.000000 beta (00000360)= 19.995351 gamma(00000360)= 19.995351 z1= 1 -0.345612665998815E-03 0.237932015877146E-10 Lanczos iteration: 361 alpha(00000361)= 0.000000 beta (00000361)= 19.780793 gamma(00000361)= 19.780793 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 362 alpha(00000362)= 0.000000 beta (00000362)= 19.917272 gamma(00000362)= 19.917272 z1= 1 0.346755659842437E-03 0.952650410668947E-10 Lanczos iteration: 363 alpha(00000363)= 0.000000 beta (00000363)= 19.669983 gamma(00000363)= 19.669983 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 364 alpha(00000364)= 0.000000 beta (00000364)= 19.880878 gamma(00000364)= 19.880878 z1= 1 -0.341476190791220E-03 -0.152054521442164E-09 Lanczos iteration: 365 alpha(00000365)= 0.000000 beta (00000365)= 19.570344 gamma(00000365)= 19.570344 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 366 alpha(00000366)= 0.000000 beta (00000366)= 19.762890 gamma(00000366)= 19.762890 z1= 1 0.341282403829991E-03 0.131961710766598E-09 Lanczos iteration: 367 alpha(00000367)= 0.000000 beta (00000367)= 19.827776 gamma(00000367)= 19.827776 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 368 alpha(00000368)= 0.000000 beta (00000368)= 19.852707 gamma(00000368)= 19.852707 z1= 1 -0.339281407347151E-03 -0.110037792788505E-09 Lanczos iteration: 369 alpha(00000369)= 0.000000 beta (00000369)= 19.839242 gamma(00000369)= 19.839242 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 370 alpha(00000370)= 0.000000 beta (00000370)= 19.919457 gamma(00000370)= 19.919457 z1= 1 0.339692038548669E-03 0.910593629910226E-10 Lanczos iteration: 371 alpha(00000371)= 0.000000 beta (00000371)= 19.810968 gamma(00000371)= 19.810968 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 372 alpha(00000372)= 0.000000 beta (00000372)= 19.891617 gamma(00000372)= 19.891617 z1= 1 -0.333538927866386E-03 -0.124809418493540E-09 Lanczos iteration: 373 alpha(00000373)= 0.000000 beta (00000373)= 19.736125 gamma(00000373)= 19.736125 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 374 alpha(00000374)= 0.000000 beta (00000374)= 19.909614 gamma(00000374)= 19.909614 z1= 1 0.328171883102951E-03 0.180682897302078E-09 Lanczos iteration: 375 alpha(00000375)= 0.000000 beta (00000375)= 19.634455 gamma(00000375)= 19.634455 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 376 alpha(00000376)= 0.000000 beta (00000376)= 19.945787 gamma(00000376)= 19.945787 z1= 1 -0.315621740953943E-03 -0.158586463436358E-09 Lanczos iteration: 377 alpha(00000377)= 0.000000 beta (00000377)= 19.576182 gamma(00000377)= 19.576182 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 378 alpha(00000378)= 0.000000 beta (00000378)= 19.959015 gamma(00000378)= 19.959015 z1= 1 0.305576326820711E-03 0.235618277602667E-09 Lanczos iteration: 379 alpha(00000379)= 0.000000 beta (00000379)= 19.633031 gamma(00000379)= 19.633031 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 380 alpha(00000380)= 0.000000 beta (00000380)= 19.851961 gamma(00000380)= 19.851961 z1= 1 -0.294007322305778E-03 -0.241644685513367E-09 Lanczos iteration: 381 alpha(00000381)= 0.000000 beta (00000381)= 19.585992 gamma(00000381)= 19.585992 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 382 alpha(00000382)= 0.000000 beta (00000382)= 20.136375 gamma(00000382)= 20.136375 z1= 1 0.281482685075242E-03 0.340070902307220E-09 Lanczos iteration: 383 alpha(00000383)= 0.000000 beta (00000383)= 19.657416 gamma(00000383)= 19.657416 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 384 alpha(00000384)= 0.000000 beta (00000384)= 19.847468 gamma(00000384)= 19.847468 z1= 1 -0.270855787586903E-03 -0.343024547942122E-09 Lanczos iteration: 385 alpha(00000385)= 0.000000 beta (00000385)= 19.551762 gamma(00000385)= 19.551762 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 386 alpha(00000386)= 0.000000 beta (00000386)= 19.990016 gamma(00000386)= 19.990016 z1= 1 0.261083602393106E-03 0.218152215243111E-09 Lanczos iteration: 387 alpha(00000387)= 0.000000 beta (00000387)= 19.724250 gamma(00000387)= 19.724250 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 388 alpha(00000388)= 0.000000 beta (00000388)= 19.820463 gamma(00000388)= 19.820463 z1= 1 -0.252837607706511E-03 -0.232835742795939E-09 Lanczos iteration: 389 alpha(00000389)= 0.000000 beta (00000389)= 19.799490 gamma(00000389)= 19.799490 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 390 alpha(00000390)= 0.000000 beta (00000390)= 20.000770 gamma(00000390)= 20.000770 z1= 1 0.247892062484604E-03 0.173224802962483E-09 Lanczos iteration: 391 alpha(00000391)= 0.000000 beta (00000391)= 19.740324 gamma(00000391)= 19.740324 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 392 alpha(00000392)= 0.000000 beta (00000392)= 19.982212 gamma(00000392)= 19.982212 z1= 1 -0.239775310533877E-03 -0.143012341991714E-09 Lanczos iteration: 393 alpha(00000393)= 0.000000 beta (00000393)= 19.758305 gamma(00000393)= 19.758305 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 394 alpha(00000394)= 0.000000 beta (00000394)= 19.872430 gamma(00000394)= 19.872430 z1= 1 0.237838241365321E-03 0.113146495927869E-09 Lanczos iteration: 395 alpha(00000395)= 0.000000 beta (00000395)= 19.689854 gamma(00000395)= 19.689854 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 396 alpha(00000396)= 0.000000 beta (00000396)= 19.755541 gamma(00000396)= 19.755541 z1= 1 -0.233949682892100E-03 -0.210751598223581E-09 Lanczos iteration: 397 alpha(00000397)= 0.000000 beta (00000397)= 19.717779 gamma(00000397)= 19.717779 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 398 alpha(00000398)= 0.000000 beta (00000398)= 19.899034 gamma(00000398)= 19.899034 z1= 1 0.231496509438834E-03 0.371995503446035E-09 Lanczos iteration: 399 alpha(00000399)= 0.000000 beta (00000399)= 19.695458 gamma(00000399)= 19.695458 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 400 alpha(00000400)= 0.000000 beta (00000400)= 19.871251 gamma(00000400)= 19.871251 z1= 1 -0.226063686444582E-03 -0.477936980852844E-09 Lanczos iteration: 401 alpha(00000401)= 0.000000 beta (00000401)= 19.666362 gamma(00000401)= 19.666362 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 402 alpha(00000402)= 0.000000 beta (00000402)= 19.924241 gamma(00000402)= 19.924241 z1= 1 0.221606223791846E-03 0.645609085401749E-09 Lanczos iteration: 403 alpha(00000403)= 0.000000 beta (00000403)= 19.528976 gamma(00000403)= 19.528976 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 404 alpha(00000404)= 0.000000 beta (00000404)= 19.915747 gamma(00000404)= 19.915747 z1= 1 -0.214261177093694E-03 -0.748878658874436E-09 Lanczos iteration: 405 alpha(00000405)= 0.000000 beta (00000405)= 19.610246 gamma(00000405)= 19.610246 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 406 alpha(00000406)= 0.000000 beta (00000406)= 19.799005 gamma(00000406)= 19.799005 z1= 1 0.210756625906267E-03 0.782300413826360E-09 Lanczos iteration: 407 alpha(00000407)= 0.000000 beta (00000407)= 19.545795 gamma(00000407)= 19.545795 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 408 alpha(00000408)= 0.000000 beta (00000408)= 19.728930 gamma(00000408)= 19.728930 z1= 1 -0.207104848712592E-03 -0.694138541558780E-09 Lanczos iteration: 409 alpha(00000409)= 0.000000 beta (00000409)= 19.529296 gamma(00000409)= 19.529296 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 410 alpha(00000410)= 0.000000 beta (00000410)= 19.810178 gamma(00000410)= 19.810178 z1= 1 0.203604409507828E-03 0.713012196383241E-09 Lanczos iteration: 411 alpha(00000411)= 0.000000 beta (00000411)= 19.563268 gamma(00000411)= 19.563268 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 412 alpha(00000412)= 0.000000 beta (00000412)= 19.766877 gamma(00000412)= 19.766877 z1= 1 -0.202110915862748E-03 -0.619445607077082E-09 Lanczos iteration: 413 alpha(00000413)= 0.000000 beta (00000413)= 19.578087 gamma(00000413)= 19.578087 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 414 alpha(00000414)= 0.000000 beta (00000414)= 19.768821 gamma(00000414)= 19.768821 z1= 1 0.201715648612810E-03 0.450903045821390E-09 Lanczos iteration: 415 alpha(00000415)= 0.000000 beta (00000415)= 19.553857 gamma(00000415)= 19.553857 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 416 alpha(00000416)= 0.000000 beta (00000416)= 19.870231 gamma(00000416)= 19.870231 z1= 1 -0.201093734411201E-03 -0.162616184225925E-09 Lanczos iteration: 417 alpha(00000417)= 0.000000 beta (00000417)= 19.624938 gamma(00000417)= 19.624938 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 418 alpha(00000418)= 0.000000 beta (00000418)= 19.739875 gamma(00000418)= 19.739875 z1= 1 0.201836778178269E-03 0.288556391975069E-11 Lanczos iteration: 419 alpha(00000419)= 0.000000 beta (00000419)= 19.718633 gamma(00000419)= 19.718633 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 420 alpha(00000420)= 0.000000 beta (00000420)= 19.766021 gamma(00000420)= 19.766021 z1= 1 -0.204407242937639E-03 0.188087805290428E-09 Lanczos iteration: 421 alpha(00000421)= 0.000000 beta (00000421)= 19.595589 gamma(00000421)= 19.595589 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 422 alpha(00000422)= 0.000000 beta (00000422)= 19.744913 gamma(00000422)= 19.744913 z1= 1 0.204813404285119E-03 -0.389796119150181E-09 Lanczos iteration: 423 alpha(00000423)= 0.000000 beta (00000423)= 19.511905 gamma(00000423)= 19.511905 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 424 alpha(00000424)= 0.000000 beta (00000424)= 19.859326 gamma(00000424)= 19.859326 z1= 1 -0.204875524266773E-03 0.557400693070126E-09 Lanczos iteration: 425 alpha(00000425)= 0.000000 beta (00000425)= 19.506456 gamma(00000425)= 19.506456 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 426 alpha(00000426)= 0.000000 beta (00000426)= 19.842585 gamma(00000426)= 19.842585 z1= 1 0.204449573342661E-03 -0.779801767698982E-09 Lanczos iteration: 427 alpha(00000427)= 0.000000 beta (00000427)= 19.623032 gamma(00000427)= 19.623032 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 428 alpha(00000428)= 0.000000 beta (00000428)= 19.887001 gamma(00000428)= 19.887001 z1= 1 -0.207864664982186E-03 0.814758476867367E-09 Lanczos iteration: 429 alpha(00000429)= 0.000000 beta (00000429)= 19.604472 gamma(00000429)= 19.604472 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 430 alpha(00000430)= 0.000000 beta (00000430)= 19.835264 gamma(00000430)= 19.835264 z1= 1 0.210539142350098E-03 -0.917685579635203E-09 Lanczos iteration: 431 alpha(00000431)= 0.000000 beta (00000431)= 19.555081 gamma(00000431)= 19.555081 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 432 alpha(00000432)= 0.000000 beta (00000432)= 19.901738 gamma(00000432)= 19.901738 z1= 1 -0.215287439026753E-03 0.109053616802136E-08 Lanczos iteration: 433 alpha(00000433)= 0.000000 beta (00000433)= 19.728672 gamma(00000433)= 19.728672 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 434 alpha(00000434)= 0.000000 beta (00000434)= 19.776529 gamma(00000434)= 19.776529 z1= 1 0.221118985356745E-03 -0.117719848339418E-08 Lanczos iteration: 435 alpha(00000435)= 0.000000 beta (00000435)= 19.767694 gamma(00000435)= 19.767694 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 436 alpha(00000436)= 0.000000 beta (00000436)= 19.794060 gamma(00000436)= 19.794060 z1= 1 -0.230978864564670E-03 0.119064073460514E-08 Lanczos iteration: 437 alpha(00000437)= 0.000000 beta (00000437)= 19.757432 gamma(00000437)= 19.757432 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 438 alpha(00000438)= 0.000000 beta (00000438)= 19.821501 gamma(00000438)= 19.821501 z1= 1 0.236050339348437E-03 -0.119479761085603E-08 Lanczos iteration: 439 alpha(00000439)= 0.000000 beta (00000439)= 19.720236 gamma(00000439)= 19.720236 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 440 alpha(00000440)= 0.000000 beta (00000440)= 19.885009 gamma(00000440)= 19.885009 z1= 1 -0.244105555708039E-03 0.115940301137276E-08 Lanczos iteration: 441 alpha(00000441)= 0.000000 beta (00000441)= 19.793996 gamma(00000441)= 19.793996 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 442 alpha(00000442)= 0.000000 beta (00000442)= 19.887933 gamma(00000442)= 19.887933 z1= 1 0.246542644465913E-03 -0.109559841750932E-08 Lanczos iteration: 443 alpha(00000443)= 0.000000 beta (00000443)= 19.828872 gamma(00000443)= 19.828872 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 444 alpha(00000444)= 0.000000 beta (00000444)= 19.912840 gamma(00000444)= 19.912840 z1= 1 -0.254209079220626E-03 0.100175025721175E-08 Lanczos iteration: 445 alpha(00000445)= 0.000000 beta (00000445)= 19.760978 gamma(00000445)= 19.760978 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 446 alpha(00000446)= 0.000000 beta (00000446)= 19.960437 gamma(00000446)= 19.960437 z1= 1 0.253522079785333E-03 -0.837766685115921E-09 Lanczos iteration: 447 alpha(00000447)= 0.000000 beta (00000447)= 19.638378 gamma(00000447)= 19.638378 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 448 alpha(00000448)= 0.000000 beta (00000448)= 19.848824 gamma(00000448)= 19.848824 z1= 1 -0.258157207393804E-03 0.641828596689347E-09 Lanczos iteration: 449 alpha(00000449)= 0.000000 beta (00000449)= 19.747732 gamma(00000449)= 19.747732 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 450 alpha(00000450)= 0.000000 beta (00000450)= 19.806998 gamma(00000450)= 19.806998 z1= 1 0.257449673929617E-03 -0.421469184221022E-09 Lanczos iteration: 451 alpha(00000451)= 0.000000 beta (00000451)= 19.822046 gamma(00000451)= 19.822046 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 452 alpha(00000452)= 0.000000 beta (00000452)= 19.872573 gamma(00000452)= 19.872573 z1= 1 -0.262396588827152E-03 0.273668204790546E-09 Lanczos iteration: 453 alpha(00000453)= 0.000000 beta (00000453)= 19.799712 gamma(00000453)= 19.799712 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 454 alpha(00000454)= 0.000000 beta (00000454)= 20.062929 gamma(00000454)= 20.062929 z1= 1 0.258777517990342E-03 -0.114245658522622E-09 Lanczos iteration: 455 alpha(00000455)= 0.000000 beta (00000455)= 19.619749 gamma(00000455)= 19.619749 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 456 alpha(00000456)= 0.000000 beta (00000456)= 20.009223 gamma(00000456)= 20.009223 z1= 1 -0.259404648642718E-03 -0.168042758022363E-09 Lanczos iteration: 457 alpha(00000457)= 0.000000 beta (00000457)= 19.628375 gamma(00000457)= 19.628375 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 458 alpha(00000458)= 0.000000 beta (00000458)= 19.922134 gamma(00000458)= 19.922134 z1= 1 0.256451867976803E-03 0.410852492312542E-09 Lanczos iteration: 459 alpha(00000459)= 0.000000 beta (00000459)= 19.636565 gamma(00000459)= 19.636565 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 460 alpha(00000460)= 0.000000 beta (00000460)= 19.947993 gamma(00000460)= 19.947993 z1= 1 -0.258177382900642E-03 -0.684772788785429E-09 Lanczos iteration: 461 alpha(00000461)= 0.000000 beta (00000461)= 19.776889 gamma(00000461)= 19.776889 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 462 alpha(00000462)= 0.000000 beta (00000462)= 19.877493 gamma(00000462)= 19.877493 z1= 1 0.258644648893081E-03 0.877387313416762E-09 Lanczos iteration: 463 alpha(00000463)= 0.000000 beta (00000463)= 19.642951 gamma(00000463)= 19.642951 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 464 alpha(00000464)= 0.000000 beta (00000464)= 19.881478 gamma(00000464)= 19.881478 z1= 1 -0.260611740622333E-03 -0.918944393747400E-09 Lanczos iteration: 465 alpha(00000465)= 0.000000 beta (00000465)= 19.705646 gamma(00000465)= 19.705646 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 466 alpha(00000466)= 0.000000 beta (00000466)= 19.753864 gamma(00000466)= 19.753864 z1= 1 0.261250424309490E-03 0.952201531514655E-09 Lanczos iteration: 467 alpha(00000467)= 0.000000 beta (00000467)= 19.715746 gamma(00000467)= 19.715746 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 468 alpha(00000468)= 0.000000 beta (00000468)= 19.703987 gamma(00000468)= 19.703987 z1= 1 -0.264423392935191E-03 -0.103810081495004E-08 Lanczos iteration: 469 alpha(00000469)= 0.000000 beta (00000469)= 19.758950 gamma(00000469)= 19.758950 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 470 alpha(00000470)= 0.000000 beta (00000470)= 19.884040 gamma(00000470)= 19.884040 z1= 1 0.263135307192799E-03 0.973753666553083E-09 Lanczos iteration: 471 alpha(00000471)= 0.000000 beta (00000471)= 19.790799 gamma(00000471)= 19.790799 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 472 alpha(00000472)= 0.000000 beta (00000472)= 19.870677 gamma(00000472)= 19.870677 z1= 1 -0.264172814674062E-03 -0.894011720491534E-09 Lanczos iteration: 473 alpha(00000473)= 0.000000 beta (00000473)= 19.722777 gamma(00000473)= 19.722777 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 474 alpha(00000474)= 0.000000 beta (00000474)= 19.829943 gamma(00000474)= 19.829943 z1= 1 0.264117565079176E-03 0.889405909611713E-09 Lanczos iteration: 475 alpha(00000475)= 0.000000 beta (00000475)= 19.637349 gamma(00000475)= 19.637349 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 476 alpha(00000476)= 0.000000 beta (00000476)= 19.661554 gamma(00000476)= 19.661554 z1= 1 -0.266074244916198E-03 -0.791203693581486E-09 Lanczos iteration: 477 alpha(00000477)= 0.000000 beta (00000477)= 19.701325 gamma(00000477)= 19.701325 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 478 alpha(00000478)= 0.000000 beta (00000478)= 19.744732 gamma(00000478)= 19.744732 z1= 1 0.266912741807870E-03 0.665418845598995E-09 Lanczos iteration: 479 alpha(00000479)= 0.000000 beta (00000479)= 19.561970 gamma(00000479)= 19.561970 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 480 alpha(00000480)= 0.000000 beta (00000480)= 19.928947 gamma(00000480)= 19.928947 z1= 1 -0.263565737056846E-03 -0.583086863629152E-09 Lanczos iteration: 481 alpha(00000481)= 0.000000 beta (00000481)= 19.671795 gamma(00000481)= 19.671795 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 482 alpha(00000482)= 0.000000 beta (00000482)= 19.902788 gamma(00000482)= 19.902788 z1= 1 0.261085672804108E-03 0.474970066965649E-09 Lanczos iteration: 483 alpha(00000483)= 0.000000 beta (00000483)= 19.770728 gamma(00000483)= 19.770728 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 484 alpha(00000484)= 0.000000 beta (00000484)= 19.963910 gamma(00000484)= 19.963910 z1= 1 -0.257833656913077E-03 -0.363628090422581E-09 Lanczos iteration: 485 alpha(00000485)= 0.000000 beta (00000485)= 19.622549 gamma(00000485)= 19.622549 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 486 alpha(00000486)= 0.000000 beta (00000486)= 19.913635 gamma(00000486)= 19.913635 z1= 1 0.251533951927691E-03 0.250593845943584E-09 Lanczos iteration: 487 alpha(00000487)= 0.000000 beta (00000487)= 19.581977 gamma(00000487)= 19.581977 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 488 alpha(00000488)= 0.000000 beta (00000488)= 19.860450 gamma(00000488)= 19.860450 z1= 1 -0.244413018155276E-03 -0.156190405497797E-09 Lanczos iteration: 489 alpha(00000489)= 0.000000 beta (00000489)= 19.668130 gamma(00000489)= 19.668130 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 490 alpha(00000490)= 0.000000 beta (00000490)= 19.773928 gamma(00000490)= 19.773928 z1= 1 0.237822672480737E-03 0.155479250568255E-09 Lanczos iteration: 491 alpha(00000491)= 0.000000 beta (00000491)= 19.583545 gamma(00000491)= 19.583545 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 492 alpha(00000492)= 0.000000 beta (00000492)= 19.802860 gamma(00000492)= 19.802860 z1= 1 -0.228740734519554E-03 -0.167930457461034E-09 Lanczos iteration: 493 alpha(00000493)= 0.000000 beta (00000493)= 19.605505 gamma(00000493)= 19.605505 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 494 alpha(00000494)= 0.000000 beta (00000494)= 19.849561 gamma(00000494)= 19.849561 z1= 1 0.218315328321202E-03 0.112857909042224E-09 Lanczos iteration: 495 alpha(00000495)= 0.000000 beta (00000495)= 19.757770 gamma(00000495)= 19.757770 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 496 alpha(00000496)= 0.000000 beta (00000496)= 19.823132 gamma(00000496)= 19.823132 z1= 1 -0.210710763517815E-03 -0.480440929067830E-10 Lanczos iteration: 497 alpha(00000497)= 0.000000 beta (00000497)= 19.857364 gamma(00000497)= 19.857364 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 498 alpha(00000498)= 0.000000 beta (00000498)= 19.798063 gamma(00000498)= 19.798063 z1= 1 0.204436709435934E-03 0.740024905461812E-10 Lanczos iteration: 499 alpha(00000499)= 0.000000 beta (00000499)= 19.639545 gamma(00000499)= 19.639545 z1= 1 0.000000000000000E+00 0.000000000000000E+00 Lanczos iteration: 500 alpha(00000500)= 0.000000 beta (00000500)= 19.852052 gamma(00000500)= 19.852052 z1= 1 -0.196041369684766E-03 0.380002121324054E-10 End of Lanczos iterations Finished linear response calculation... lr_eels_main : 122.15s CPU 137.29s WALL ( 1 calls) lr_solve_e : 0.18s CPU 0.20s WALL ( 1 calls) one_step : 118.98s CPU 133.96s WALL ( 500 calls) lr_apply : 116.74s CPU 131.04s WALL ( 500 calls) lr_apply_int : 108.61s CPU 121.54s WALL ( 250 calls) lr_apply_no : 7.86s CPU 9.10s WALL ( 250 calls) h_psi : 15.75s CPU 17.21s WALL ( 21547 calls) lr_calc_dens : 12.69s CPU 14.17s WALL ( 250 calls) incdrhoscf : 6.96s CPU 7.55s WALL ( 10000 calls) lr_dv_setup : 0.00s CPU 0.01s WALL ( 1 calls) dv_of_drho : 0.83s CPU 1.18s WALL ( 250 calls) lr_dot : 0.31s CPU 0.26s WALL ( 750 calls) ortho : 1.66s CPU 1.55s WALL ( 10040 calls) US routines s_psi : 0.01s CPU 0.52s WALL ( 51587 calls) lr_apply_s : 1.32s CPU 1.53s WALL ( 500 calls) addusdbec : 2.42s CPU 0.41s WALL ( 10000 calls) lr_addusdden : 1.85s CPU 2.05s WALL ( 250 calls) lr_addus_dvp : 0.00s CPU 0.00s WALL ( 40 calls) lr_sm1_psiq : 1.81s CPU 1.80s WALL ( 20040 calls) General routines calbec : 9.25s CPU 2.38s WALL ( 81667 calls) fft : 6.66s CPU 5.41s WALL ( 13530 calls) ffts : 0.01s CPU 0.05s WALL ( 502 calls) fftw : 21.91s CPU 27.84s WALL ( 471478 calls) interpolate : 0.10s CPU 0.14s WALL ( 502 calls) davcio : 0.03s CPU 0.70s WALL ( 50216 calls) Parallel routines fft_scatter : 24.81s CPU 12.33s WALL ( 485510 calls) EELS routines lr_run_nscf : 2.19s CPU 2.30s WALL ( 1 calls) lr_setup_nsc : 0.00s CPU 0.00s WALL ( 1 calls) lr_calc_dens : 12.69s CPU 14.17s WALL ( 250 calls) lr_dvpsi_eel : 0.17s CPU 0.19s WALL ( 40 calls) lr_sym_eels : 3.60s CPU 3.85s WALL ( 250 calls) lr_psym_eels : 3.75s CPU 4.02s WALL ( 250 calls) lr_smallgq : 0.00s CPU 0.00s WALL ( 1 calls) lr_summary : 0.00s CPU 0.00s WALL ( 1 calls) turboEELS : 2m 2.15s CPU 2m17.32s WALL This run was terminated on: 9:47:10 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=