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Program turboEELS v.6.3 starts on 6Sep2018 at 12:40:17
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);
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
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
MPI processes distributed on 1 nodes
R & G space division: proc/nbgrp/npool/nimage = 8
Reading data from directory:
/scratch/timrov/WORK_Hubbard/Z_git/work2_QE_fork/q-e/tempdir/Ag.save/
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 82 39 13 1388 479 92
Max 83 40 14 1392 484 95
Sum 661 313 109 11113 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 ---------------
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 82 39 13 1388 479 92
Max 83 40 14 1392 484 95
Sum 661 313 109 11113 3839 749
bravais-lattice index = 2
lattice parameter (alat) = 7.7200 a.u.
unit-cell volume = 115.0249 (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)= 7.720000 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:
/scratch/timrov/WORK_Hubbard/Z_git/work2_QE_fork/q-e/pseudo/Ag.pbe-dn-rrkjus_psl.0.1.UPF
MD5 check sum: 6329989e338bf9c1265fe6a4b55e1cb9
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 mv 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 0.1760000), wk = 0.0000000
k( 3) = ( -0.3750000 0.3750000 -0.1250000), wk = 0.0312500
k( 4) = ( -0.3750000 0.3750000 -0.0740000), wk = 0.0000000
k( 5) = ( 0.3750000 -0.3750000 0.6250000), wk = 0.0312500
k( 6) = ( 0.3750000 -0.3750000 0.6760000), wk = 0.0000000
k( 7) = ( 0.1250000 -0.1250000 0.3750000), wk = 0.0312500
k( 8) = ( 0.1250000 -0.1250000 0.4260000), wk = 0.0000000
k( 9) = ( -0.1250000 0.6250000 0.1250000), wk = 0.0625000
k( 10) = ( -0.1250000 0.6250000 0.1760000), wk = 0.0000000
k( 11) = ( 0.6250000 -0.1250000 0.8750000), wk = 0.0625000
k( 12) = ( 0.6250000 -0.1250000 0.9260000), wk = 0.0000000
k( 13) = ( 0.3750000 0.1250000 0.6250000), wk = 0.0625000
k( 14) = ( 0.3750000 0.1250000 0.6760000), wk = 0.0000000
k( 15) = ( -0.1250000 -0.8750000 0.1250000), wk = 0.0625000
k( 16) = ( -0.1250000 -0.8750000 0.1760000), wk = 0.0000000
k( 17) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0312500
k( 18) = ( -0.3750000 0.3750000 0.4260000), wk = 0.0000000
k( 19) = ( 0.3750000 -0.3750000 1.1250000), wk = 0.0312500
k( 20) = ( 0.3750000 -0.3750000 1.1760000), wk = 0.0000000
k( 21) = ( 0.1250000 -0.1250000 -0.1250000), wk = 0.0312500
k( 22) = ( 0.1250000 -0.1250000 -0.0740000), wk = 0.0000000
k( 23) = ( -0.1250000 -0.3750000 -0.3750000), wk = 0.0625000
k( 24) = ( -0.1250000 -0.3750000 -0.3240000), wk = 0.0000000
k( 25) = ( 0.1250000 -0.3750000 0.3750000), wk = 0.0625000
k( 26) = ( 0.1250000 -0.3750000 0.4260000), wk = 0.0000000
k( 27) = ( 0.3750000 -0.3750000 0.1250000), wk = 0.0312500
k( 28) = ( 0.3750000 -0.3750000 0.1760000), wk = 0.0000000
k( 29) = ( 0.6250000 0.3750000 0.3750000), wk = 0.0625000
k( 30) = ( 0.6250000 0.3750000 0.4260000), wk = 0.0000000
k( 31) = ( -0.6250000 0.3750000 -0.3750000), wk = 0.0625000
k( 32) = ( -0.6250000 0.3750000 -0.3240000), wk = 0.0000000
k( 33) = ( -0.3750000 0.3750000 -0.6250000), wk = 0.0312500
k( 34) = ( -0.3750000 0.3750000 -0.5740000), wk = 0.0000000
k( 35) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0625000
k( 36) = ( 0.3750000 0.1250000 0.1760000), wk = 0.0000000
k( 37) = ( -0.3750000 0.1250000 -0.1250000), wk = 0.0625000
k( 38) = ( -0.3750000 0.1250000 -0.0740000), wk = 0.0000000
k( 39) = ( -0.1250000 0.1250000 -0.3750000), wk = 0.0312500
k( 40) = ( -0.1250000 0.1250000 -0.3240000), wk = 0.0000000
k( 41) = ( 0.1250000 -0.6250000 -0.1250000), wk = 0.0625000
k( 42) = ( 0.1250000 -0.6250000 -0.0740000), wk = 0.0000000
k( 43) = ( 0.1250000 0.1250000 0.6250000), wk = 0.0312500
k( 44) = ( 0.1250000 0.1250000 0.6760000), wk = 0.0000000
k( 45) = ( 0.1250000 -0.1250000 -0.6250000), wk = 0.0312500
k( 46) = ( 0.1250000 -0.1250000 -0.5740000), wk = 0.0000000
k( 47) = ( 0.8750000 0.1250000 0.6250000), wk = 0.0625000
k( 48) = ( 0.8750000 0.1250000 0.6760000), wk = 0.0000000
k( 49) = ( -0.8750000 0.1250000 -0.6250000), wk = 0.0625000
k( 50) = ( -0.8750000 0.1250000 -0.5740000), wk = 0.0000000
k( 51) = ( -0.6250000 0.8750000 -0.1250000), wk = 0.0625000
k( 52) = ( -0.6250000 0.8750000 -0.0740000), wk = 0.0000000
k( 53) = ( -0.6250000 -0.8750000 0.1250000), wk = 0.0625000
k( 54) = ( -0.6250000 -0.8750000 0.1760000), wk = 0.0000000
k( 55) = ( -0.6250000 0.1250000 -0.8750000), wk = 0.0625000
k( 56) = ( -0.6250000 0.1250000 -0.8240000), wk = 0.0000000
k( 57) = ( 0.6250000 -0.1250000 0.3750000), wk = 0.0625000
k( 58) = ( 0.6250000 -0.1250000 0.4260000), wk = 0.0000000
k( 59) = ( -0.6250000 -0.1250000 -0.3750000), wk = 0.0625000
k( 60) = ( -0.6250000 -0.1250000 -0.3240000), wk = 0.0000000
k( 61) = ( -0.3750000 0.6250000 0.1250000), wk = 0.0625000
k( 62) = ( -0.3750000 0.6250000 0.1760000), wk = 0.0000000
k( 63) = ( -0.3750000 -0.6250000 -0.1250000), wk = 0.0625000
k( 64) = ( -0.3750000 -0.6250000 -0.0740000), wk = 0.0000000
k( 65) = ( -0.3750000 -0.1250000 -0.6250000), wk = 0.0625000
k( 66) = ( -0.3750000 -0.1250000 -0.5740000), wk = 0.0000000
k( 67) = ( 0.1250000 0.8750000 -0.1250000), wk = 0.0625000
k( 68) = ( 0.1250000 0.8750000 -0.0740000), wk = 0.0000000
k( 69) = ( 0.1250000 0.1250000 -0.8750000), wk = 0.0312500
k( 70) = ( 0.1250000 0.1250000 -0.8240000), wk = 0.0000000
k( 71) = ( 0.1250000 -0.1250000 0.8750000), wk = 0.0312500
k( 72) = ( 0.1250000 -0.1250000 0.9260000), wk = 0.0000000
k( 73) = ( 0.3750000 -0.3750000 -0.3750000), wk = 0.0312500
k( 74) = ( 0.3750000 -0.3750000 -0.3240000), wk = 0.0000000
k( 75) = ( 1.1250000 0.3750000 0.3750000), wk = 0.0625000
k( 76) = ( 1.1250000 0.3750000 0.4260000), wk = 0.0000000
k( 77) = ( -1.1250000 0.3750000 -0.3750000), wk = 0.0625000
k( 78) = ( -1.1250000 0.3750000 -0.3240000), wk = 0.0000000
k( 79) = ( -0.3750000 0.3750000 -1.1250000), wk = 0.0312500
k( 80) = ( -0.3750000 0.3750000 -1.0740000), wk = 0.0000000
Dense grid: 11113 G-vectors FFT dimensions: ( 32, 32, 32)
Smooth grid: 3839 G-vectors FFT dimensions: ( 24, 24, 24)
Estimated max dynamical RAM per process > 6.23 MB
Estimated total dynamical RAM > 49.82 MB
The potential is recalculated from file :
/scratch/timrov/WORK_Hubbard/Z_git/work2_QE_fork/q-e/tempdir/tmp_eels/Ag.save/charge-density
Starting wfcs are 9 atomic + 1 random wfcs
Band Structure Calculation
Davidson diagonalization with overlap
ethr = 9.09E-11, avg # of iterations = 17.4
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):
5.7544 8.2376 8.4454 8.4454 9.3324 9.3324 29.0700 30.9167
33.2778 33.2778
k =-0.1250 0.1250 0.1760 ( 507 PWs) bands (ev):
5.8985 8.2105 8.4787 8.4831 9.2869 9.3761 28.5281 30.7891
32.7408 33.6936
k =-0.3750 0.3750-0.1250 ( 497 PWs) bands (ev):
7.1586 8.2710 8.6139 8.6864 9.3128 10.5776 23.0119 27.2622
31.5897 33.9357
k =-0.3750 0.3750-0.0740 ( 499 PWs) bands (ev):
7.2896 8.0865 8.5414 8.7957 9.1722 10.6122 23.8232 26.3736
31.8820 34.0262
k = 0.3750-0.3750 0.6250 ( 487 PWs) bands (ev):
6.9736 8.1510 8.5418 9.3456 10.1869 13.3874 17.3277 27.9398
29.5706 29.9753
k = 0.3750-0.3750 0.6760 ( 489 PWs) bands (ev):
7.0621 8.0887 8.6256 9.1929 10.1673 14.0360 17.0627 27.0033
29.2345 29.8767
k = 0.1250-0.1250 0.3750 ( 497 PWs) bands (ev):
6.7741 7.9294 8.6160 8.7539 9.3666 9.6472 26.2905 30.0091
30.1629 32.6461
k = 0.1250-0.1250 0.4260 ( 492 PWs) bands (ev):
7.0005 7.8388 8.6014 8.8534 9.5749 9.7326 25.7333 29.2809
29.9230 31.7457
k =-0.1250 0.6250 0.1250 ( 488 PWs) bands (ev):
7.2050 7.4608 9.0067 9.3204 10.0582 11.1844 23.7145 26.5672
26.7310 30.2529
k =-0.1250 0.6250 0.1760 ( 490 PWs) bands (ev):
7.2260 7.5750 8.8395 9.2601 10.0701 11.4398 22.9978 26.6555
26.7166 30.4325
k = 0.6250-0.1250 0.8750 ( 491 PWs) bands (ev):
7.3419 7.6377 8.5916 9.4672 10.2136 16.4535 18.9704 21.9382
23.7465 32.8160
k = 0.6250-0.1250 0.9260 ( 490 PWs) bands (ev):
7.3500 7.5808 8.5871 9.5213 10.2501 16.3168 19.8014 21.7807
22.8552 33.5675
k = 0.3750 0.1250 0.6250 ( 490 PWs) bands (ev):
7.4364 8.0148 8.3493 9.1085 9.8802 12.8320 20.5011 24.9771
27.3663 32.6418
k = 0.3750 0.1250 0.6760 ( 490 PWs) bands (ev):
7.4505 7.9018 8.3701 9.2123 9.9743 13.4839 20.0938 24.6043
26.2425 32.6629
k =-0.1250-0.8750 0.1250 ( 482 PWs) bands (ev):
6.8779 7.0503 9.7742 9.8707 10.2912 14.4949 21.1136 22.1590
24.7545 30.2069
k =-0.1250-0.8750 0.1760 ( 483 PWs) bands (ev):
6.9342 7.1426 9.5657 9.8090 10.2771 14.8049 20.9957 21.6903
24.8472 30.3303
k =-0.3750 0.3750 0.3750 ( 492 PWs) bands (ev):
6.7930 8.3851 8.3851 9.9422 9.9422 10.6006 19.6008 29.4845
31.8810 31.8810
k =-0.3750 0.3750 0.4260 ( 492 PWs) bands (ev):
6.7886 8.3548 8.3794 9.8852 10.0342 11.0468 19.0363 29.3565
31.3371 31.9451
k = 0.3750-0.3750 1.1250 ( 487 PWs) bands (ev):
7.4175 7.9825 8.6076 9.0439 9.9114 15.2875 18.1173 22.9324
28.4058 30.0726
k = 0.3750-0.3750 1.1760 ( 488 PWs) bands (ev):
7.3439 7.9697 8.7531 8.9327 9.9950 15.2474 17.4495 23.9663
28.5461 30.0048
k = 0.1250-0.1250-0.1250 ( 513 PWs) bands (ev):
5.7544 8.2376 8.4454 8.4454 9.3324 9.3324 29.0700 30.9167
33.2778 33.2778
k = 0.1250-0.1250-0.0740 ( 513 PWs) bands (ev):
5.6571 8.2431 8.4205 8.4352 9.3030 9.3673 29.5312 31.0179
32.8648 33.6663
k =-0.1250-0.3750-0.3750 ( 497 PWs) bands (ev):
7.1586 8.2710 8.6139 8.6864 9.3128 10.5776 23.0119 27.2622
31.5897 33.9357
k =-0.1250-0.3750-0.3240 ( 496 PWs) bands (ev):
7.0776 8.2482 8.5689 8.6900 9.3056 10.2950 23.6196 27.8048
31.7143 34.1041
k = 0.1250-0.3750 0.3750 ( 497 PWs) bands (ev):
7.1586 8.2710 8.6139 8.6864 9.3128 10.5776 23.0119 27.2622
31.5897 33.9357
k = 0.1250-0.3750 0.4260 ( 497 PWs) bands (ev):
7.2341 8.2644 8.5827 8.7363 9.3890 10.9108 22.4360 26.7419
31.1874 33.3149
k = 0.3750-0.3750 0.1250 ( 497 PWs) bands (ev):
7.1586 8.2710 8.6139 8.6864 9.3128 10.5776 23.0119 27.2622
31.5897 33.9357
k = 0.3750-0.3750 0.1760 ( 499 PWs) bands (ev):
7.0393 8.3763 8.5911 8.8151 9.4542 10.5269 22.2346 28.1270
31.2973 33.7383
k = 0.6250 0.3750 0.3750 ( 487 PWs) bands (ev):
6.9736 8.1510 8.5418 9.3456 10.1869 13.3874 17.3277 27.9398
29.5706 29.9753
k = 0.6250 0.3750 0.4260 ( 489 PWs) bands (ev):
6.9344 8.1670 8.4961 9.4870 10.1679 13.5056 16.9818 28.1371
29.4027 30.4674
k =-0.6250 0.3750-0.3750 ( 487 PWs) bands (ev):
6.9736 8.1510 8.5418 9.3456 10.1869 13.3874 17.3277 27.9398
29.5706 29.9753
k =-0.6250 0.3750-0.3240 ( 490 PWs) bands (ev):
7.0324 8.1282 8.6072 9.1723 10.1834 13.2493 17.8054 27.7542
28.8204 30.3249
k =-0.3750 0.3750-0.6250 ( 487 PWs) bands (ev):
6.9736 8.1510 8.5418 9.3456 10.1869 13.3874 17.3277 27.9398
29.5706 29.9753
k =-0.3750 0.3750-0.5740 ( 489 PWs) bands (ev):
6.8990 8.2130 8.4736 9.4964 10.1818 12.7393 17.6798 28.6430
29.9570 30.3087
k = 0.3750 0.1250 0.1250 ( 497 PWs) bands (ev):
6.7741 7.9294 8.6160 8.7539 9.3666 9.6472 26.2905 30.0091
30.1629 32.6461
k = 0.3750 0.1250 0.1760 ( 494 PWs) bands (ev):
6.8400 8.0057 8.5745 8.7266 9.4173 9.7132 25.5627 29.4845
30.7746 32.9508
k =-0.3750 0.1250-0.1250 ( 497 PWs) bands (ev):
6.7741 7.9294 8.6160 8.7539 9.3666 9.6472 26.2905 30.0091
30.1629 32.6461
k =-0.3750 0.1250-0.0740 ( 497 PWs) bands (ev):
6.7267 7.8775 8.6511 8.7952 9.2641 9.6471 27.0433 29.3115
30.7085 32.2726
k =-0.1250 0.1250-0.3750 ( 497 PWs) bands (ev):
6.7741 7.9294 8.6160 8.7539 9.3666 9.6472 26.2905 30.0091
30.1629 32.6461
k =-0.1250 0.1250-0.3240 ( 499 PWs) bands (ev):
6.5255 8.0172 8.6181 8.6663 9.2490 9.5662 26.8584 30.3429
30.7454 33.4358
k = 0.1250-0.6250-0.1250 ( 488 PWs) bands (ev):
7.2050 7.4608 9.0067 9.3204 10.0582 11.1844 23.7145 26.5672
26.7310 30.2529
k = 0.1250-0.6250-0.0740 ( 491 PWs) bands (ev):
7.2023 7.3704 9.1105 9.4386 9.9921 11.0040 24.4467 26.3898
26.5094 30.4647
k = 0.1250 0.1250 0.6250 ( 488 PWs) bands (ev):
7.2050 7.4608 9.0067 9.3204 10.0582 11.1844 23.7145 26.5672
26.7310 30.2529
k = 0.1250 0.1250 0.6760 ( 487 PWs) bands (ev):
7.1391 7.3542 9.1937 9.4480 10.1277 11.7857 23.2570 25.4164
26.1941 30.2082
k = 0.1250-0.1250-0.6250 ( 488 PWs) bands (ev):
7.2050 7.4608 9.0067 9.3204 10.0582 11.1844 23.7145 26.5672
26.7310 30.2529
k = 0.1250-0.1250-0.5740 ( 493 PWs) bands (ev):
7.2484 7.5660 8.8298 9.1928 9.9805 10.6537 24.2009 27.3230
27.7062 30.3480
k = 0.8750 0.1250 0.6250 ( 491 PWs) bands (ev):
7.3419 7.6377 8.5916 9.4672 10.2136 16.4535 18.9704 21.9382
23.7465 32.8160
k = 0.8750 0.1250 0.6760 ( 488 PWs) bands (ev):
7.2155 7.5064 8.8327 9.5661 10.2248 15.9913 19.5200 21.7588
24.1216 32.0130
k =-0.8750 0.1250-0.6250 ( 491 PWs) bands (ev):
7.3419 7.6377 8.5916 9.4672 10.2136 16.4535 18.9704 21.9382
23.7465 32.8160
k =-0.8750 0.1250-0.5740 ( 491 PWs) bands (ev):
7.4645 7.7522 8.3813 9.3839 10.2065 16.9263 18.4434 22.1412
23.3982 33.6077
k =-0.6250 0.8750-0.1250 ( 491 PWs) bands (ev):
7.3419 7.6377 8.5916 9.4672 10.2136 16.4535 18.9704 21.9382
23.7465 32.8160
k =-0.6250 0.8750-0.0740 ( 489 PWs) bands (ev):
7.3089 7.6172 8.6406 9.4837 10.2475 17.2154 18.8303 21.0436
23.6249 32.8395
k =-0.6250-0.8750 0.1250 ( 491 PWs) bands (ev):
7.3419 7.6377 8.5916 9.4672 10.2136 16.4535 18.9704 21.9382
23.7465 32.8160
k =-0.6250-0.8750 0.1760 ( 489 PWs) bands (ev):
7.3832 7.6731 8.5301 9.4330 10.1675 15.6536 19.1765 22.9223
23.9452 32.7821
k =-0.6250 0.1250-0.8750 ( 491 PWs) bands (ev):
7.3419 7.6377 8.5916 9.4672 10.2136 16.4535 18.9704 21.9382
23.7465 32.8160
k =-0.6250 0.1250-0.8240 ( 494 PWs) bands (ev):
7.3391 7.7116 8.5961 9.3907 10.1634 16.6343 18.1930 22.0725
24.7337 32.0822
k = 0.6250-0.1250 0.3750 ( 490 PWs) bands (ev):
7.4364 8.0148 8.3493 9.1085 9.8802 12.8320 20.5011 24.9771
27.3663 32.6418
k = 0.6250-0.1250 0.4260 ( 493 PWs) bands (ev):
7.4869 7.9884 8.4294 9.0549 9.8364 13.2628 19.9486 24.4847
27.6489 32.6183
k =-0.6250-0.1250-0.3750 ( 490 PWs) bands (ev):
7.4364 8.0148 8.3493 9.1085 9.8802 12.8320 20.5011 24.9771
27.3663 32.6418
k =-0.6250-0.1250-0.3240 ( 490 PWs) bands (ev):
7.3732 7.9587 8.3788 9.1544 9.9382 12.4307 21.0894 25.4882
27.1258 32.1791
k =-0.3750 0.6250 0.1250 ( 490 PWs) bands (ev):
7.4364 8.0148 8.3493 9.1085 9.8802 12.8320 20.5011 24.9771
27.3663 32.6418
k =-0.3750 0.6250 0.1760 ( 492 PWs) bands (ev):
7.3087 8.0447 8.5339 8.9791 9.9976 12.9060 19.7124 25.9622
27.4380 31.9833
k =-0.3750-0.6250-0.1250 ( 490 PWs) bands (ev):
7.4364 8.0148 8.3493 9.1085 9.8802 12.8320 20.5011 24.9771
27.3663 32.6418
k =-0.3750-0.6250-0.0740 ( 490 PWs) bands (ev):
7.5757 7.9759 8.1849 9.2501 9.7482 12.7834 21.3412 24.0049
27.3217 33.3189
k =-0.3750-0.1250-0.6250 ( 490 PWs) bands (ev):
7.4364 8.0148 8.3493 9.1085 9.8802 12.8320 20.5011 24.9771
27.3663 32.6418
k =-0.3750-0.1250-0.5740 ( 491 PWs) bands (ev):
7.4036 8.1228 8.3610 9.0023 9.7672 12.2416 20.9472 25.3835
28.4871 32.6555
k = 0.1250 0.8750-0.1250 ( 482 PWs) bands (ev):
6.8779 7.0503 9.7742 9.8707 10.2912 14.4949 21.1136 22.1590
24.7545 30.2069
k = 0.1250 0.8750-0.0740 ( 484 PWs) bands (ev):
6.8428 6.9845 9.8609 9.9921 10.2918 14.2696 21.1184 22.7720
24.4322 30.3736
k = 0.1250 0.1250-0.8750 ( 482 PWs) bands (ev):
6.8779 7.0503 9.7742 9.8707 10.2912 14.4949 21.1136 22.1590
24.7545 30.2069
k = 0.1250 0.1250-0.8240 ( 482 PWs) bands (ev):
6.9329 7.1035 9.6631 9.7830 10.2677 13.7942 21.9044 22.5485
25.0124 30.1969
k = 0.1250-0.1250 0.8750 ( 482 PWs) bands (ev):
6.8779 7.0503 9.7742 9.8707 10.2912 14.4949 21.1136 22.1590
24.7545 30.2069
k = 0.1250-0.1250 0.9260 ( 484 PWs) bands (ev):
6.8389 7.0153 9.8507 9.9344 10.3033 15.1036 20.3810 21.9617
24.5813 30.2157
k = 0.3750-0.3750-0.3750 ( 492 PWs) bands (ev):
6.7930 8.3851 8.3851 9.9422 9.9422 10.6006 19.6008 29.4845
31.8810 31.8810
k = 0.3750-0.3750-0.3240 ( 492 PWs) bands (ev):
6.8210 8.4046 8.4106 9.7928 9.8336 10.3917 20.2116 29.5459
31.4823 32.4365
k = 1.1250 0.3750 0.3750 ( 487 PWs) bands (ev):
7.4175 7.9825 8.6076 9.0439 9.9114 15.2875 18.1173 22.9324
28.4058 30.0726
k = 1.1250 0.3750 0.4260 ( 491 PWs) bands (ev):
7.4574 7.9870 8.6157 8.9886 9.8570 14.7118 18.5363 23.2645
28.5405 30.4892
k =-1.1250 0.3750-0.3750 ( 487 PWs) bands (ev):
7.4175 7.9825 8.6076 9.0439 9.9114 15.2875 18.1173 22.9324
28.4058 30.0726
k =-1.1250 0.3750-0.3240 ( 490 PWs) bands (ev):
7.3830 7.9413 8.6003 9.1221 9.9767 15.8956 17.7457 22.6480
27.6514 30.3139
k =-0.3750 0.3750-1.1250 ( 487 PWs) bands (ev):
7.4175 7.9825 8.6076 9.0439 9.9114 15.2875 18.1173 22.9324
28.4058 30.0726
k =-0.3750 0.3750-1.0740 ( 493 PWs) bands (ev):
7.4621 8.0324 8.4731 9.1409 9.8317 15.2690 18.9007 21.9479
28.3137 30.1247
the Fermi energy is 12.9939 ev
Writing output data file Ag.save/
bravais-lattice index = 2
lattice parameter (a_0) = 7.7200 a.u.
unit-cell volume = 115.0249 (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)= 7.72000 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 0.0510000 )
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 = 483.0864 ( 1392 G-vectors) FFT grid: ( 32, 32, 32)
G cutoff = 241.5432 ( 480 G-vectors) smooth grid: ( 24, 24, 24)
number of k points= 80 mv 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 0.1760000), wk = 0.0000000
k( 3) = ( -0.3750000 0.3750000 -0.1250000), wk = 0.0312500
k( 4) = ( -0.3750000 0.3750000 -0.0740000), wk = 0.0000000
k( 5) = ( 0.3750000 -0.3750000 0.6250000), wk = 0.0312500
k( 6) = ( 0.3750000 -0.3750000 0.6760000), wk = 0.0000000
k( 7) = ( 0.1250000 -0.1250000 0.3750000), wk = 0.0312500
k( 8) = ( 0.1250000 -0.1250000 0.4260000), wk = 0.0000000
k( 9) = ( -0.1250000 0.6250000 0.1250000), wk = 0.0625000
k( 10) = ( -0.1250000 0.6250000 0.1760000), wk = 0.0000000
k( 11) = ( 0.6250000 -0.1250000 0.8750000), wk = 0.0625000
k( 12) = ( 0.6250000 -0.1250000 0.9260000), wk = 0.0000000
k( 13) = ( 0.3750000 0.1250000 0.6250000), wk = 0.0625000
k( 14) = ( 0.3750000 0.1250000 0.6760000), wk = 0.0000000
k( 15) = ( -0.1250000 -0.8750000 0.1250000), wk = 0.0625000
k( 16) = ( -0.1250000 -0.8750000 0.1760000), wk = 0.0000000
k( 17) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0312500
k( 18) = ( -0.3750000 0.3750000 0.4260000), wk = 0.0000000
k( 19) = ( 0.3750000 -0.3750000 1.1250000), wk = 0.0312500
k( 20) = ( 0.3750000 -0.3750000 1.1760000), wk = 0.0000000
k( 21) = ( 0.1250000 -0.1250000 -0.1250000), wk = 0.0312500
k( 22) = ( 0.1250000 -0.1250000 -0.0740000), wk = 0.0000000
k( 23) = ( -0.1250000 -0.3750000 -0.3750000), wk = 0.0625000
k( 24) = ( -0.1250000 -0.3750000 -0.3240000), wk = 0.0000000
k( 25) = ( 0.1250000 -0.3750000 0.3750000), wk = 0.0625000
k( 26) = ( 0.1250000 -0.3750000 0.4260000), wk = 0.0000000
k( 27) = ( 0.3750000 -0.3750000 0.1250000), wk = 0.0312500
k( 28) = ( 0.3750000 -0.3750000 0.1760000), wk = 0.0000000
k( 29) = ( 0.6250000 0.3750000 0.3750000), wk = 0.0625000
k( 30) = ( 0.6250000 0.3750000 0.4260000), wk = 0.0000000
k( 31) = ( -0.6250000 0.3750000 -0.3750000), wk = 0.0625000
k( 32) = ( -0.6250000 0.3750000 -0.3240000), wk = 0.0000000
k( 33) = ( -0.3750000 0.3750000 -0.6250000), wk = 0.0312500
k( 34) = ( -0.3750000 0.3750000 -0.5740000), wk = 0.0000000
k( 35) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0625000
k( 36) = ( 0.3750000 0.1250000 0.1760000), wk = 0.0000000
k( 37) = ( -0.3750000 0.1250000 -0.1250000), wk = 0.0625000
k( 38) = ( -0.3750000 0.1250000 -0.0740000), wk = 0.0000000
k( 39) = ( -0.1250000 0.1250000 -0.3750000), wk = 0.0312500
k( 40) = ( -0.1250000 0.1250000 -0.3240000), wk = 0.0000000
k( 41) = ( 0.1250000 -0.6250000 -0.1250000), wk = 0.0625000
k( 42) = ( 0.1250000 -0.6250000 -0.0740000), wk = 0.0000000
k( 43) = ( 0.1250000 0.1250000 0.6250000), wk = 0.0312500
k( 44) = ( 0.1250000 0.1250000 0.6760000), wk = 0.0000000
k( 45) = ( 0.1250000 -0.1250000 -0.6250000), wk = 0.0312500
k( 46) = ( 0.1250000 -0.1250000 -0.5740000), wk = 0.0000000
k( 47) = ( 0.8750000 0.1250000 0.6250000), wk = 0.0625000
k( 48) = ( 0.8750000 0.1250000 0.6760000), wk = 0.0000000
k( 49) = ( -0.8750000 0.1250000 -0.6250000), wk = 0.0625000
k( 50) = ( -0.8750000 0.1250000 -0.5740000), wk = 0.0000000
k( 51) = ( -0.6250000 0.8750000 -0.1250000), wk = 0.0625000
k( 52) = ( -0.6250000 0.8750000 -0.0740000), wk = 0.0000000
k( 53) = ( -0.6250000 -0.8750000 0.1250000), wk = 0.0625000
k( 54) = ( -0.6250000 -0.8750000 0.1760000), wk = 0.0000000
k( 55) = ( -0.6250000 0.1250000 -0.8750000), wk = 0.0625000
k( 56) = ( -0.6250000 0.1250000 -0.8240000), wk = 0.0000000
k( 57) = ( 0.6250000 -0.1250000 0.3750000), wk = 0.0625000
k( 58) = ( 0.6250000 -0.1250000 0.4260000), wk = 0.0000000
k( 59) = ( -0.6250000 -0.1250000 -0.3750000), wk = 0.0625000
k( 60) = ( -0.6250000 -0.1250000 -0.3240000), wk = 0.0000000
k( 61) = ( -0.3750000 0.6250000 0.1250000), wk = 0.0625000
k( 62) = ( -0.3750000 0.6250000 0.1760000), wk = 0.0000000
k( 63) = ( -0.3750000 -0.6250000 -0.1250000), wk = 0.0625000
k( 64) = ( -0.3750000 -0.6250000 -0.0740000), wk = 0.0000000
k( 65) = ( -0.3750000 -0.1250000 -0.6250000), wk = 0.0625000
k( 66) = ( -0.3750000 -0.1250000 -0.5740000), wk = 0.0000000
k( 67) = ( 0.1250000 0.8750000 -0.1250000), wk = 0.0625000
k( 68) = ( 0.1250000 0.8750000 -0.0740000), wk = 0.0000000
k( 69) = ( 0.1250000 0.1250000 -0.8750000), wk = 0.0312500
k( 70) = ( 0.1250000 0.1250000 -0.8240000), wk = 0.0000000
k( 71) = ( 0.1250000 -0.1250000 0.8750000), wk = 0.0312500
k( 72) = ( 0.1250000 -0.1250000 0.9260000), wk = 0.0000000
k( 73) = ( 0.3750000 -0.3750000 -0.3750000), wk = 0.0312500
k( 74) = ( 0.3750000 -0.3750000 -0.3240000), wk = 0.0000000
k( 75) = ( 1.1250000 0.3750000 0.3750000), wk = 0.0625000
k( 76) = ( 1.1250000 0.3750000 0.4260000), wk = 0.0000000
k( 77) = ( -1.1250000 0.3750000 -0.3750000), wk = 0.0625000
k( 78) = ( -1.1250000 0.3750000 -0.3240000), wk = 0.0000000
k( 79) = ( -0.3750000 0.3750000 -1.1250000), wk = 0.0312500
k( 80) = ( -0.3750000 0.3750000 -1.0740000), wk = 0.0000000
PseudoPot. # 1 for Ag read from file:
/scratch/timrov/WORK_Hubbard/Z_git/work2_QE_fork/q-e/pseudo/Ag.pbe-dn-rrkjus_psl.0.1.UPF
MD5 check sum: 6329989e338bf9c1265fe6a4b55e1cb9
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
LANCZOS LINEAR-RESPONSE SPECTRUM CALCULATION
Number of Lanczos iterations = 500
Lanczos iteration: 1
alpha(00000001)= 0.000000
beta (00000001)= 0.137556
gamma(00000001)= 0.137556
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 2
alpha(00000002)= 0.000000
beta (00000002)= 9.226276
gamma(00000002)= 9.226276
z1= 1 0.152850363707109E-01 -0.445068184063261E-09
Lanczos iteration: 3
alpha(00000003)= 0.000000
beta (00000003)= 15.788177
gamma(00000003)= 15.788177
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 4
alpha(00000004)= 0.000000
beta (00000004)= 23.177677
gamma(00000004)= 23.177677
z1= 1 -0.104808121007581E-01 0.293223054756818E-09
Lanczos iteration: 5
alpha(00000005)= 0.000000
beta (00000005)= 20.523569
gamma(00000005)= 20.523569
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 6
alpha(00000006)= 0.000000
beta (00000006)= 22.685317
gamma(00000006)= 22.685317
z1= 1 0.955598965819994E-02 -0.305761066795519E-09
Lanczos iteration: 7
alpha(00000007)= 0.000000
beta (00000007)= 19.542302
gamma(00000007)= 19.542302
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 8
alpha(00000008)= 0.000000
beta (00000008)= 16.679595
gamma(00000008)= 16.679595
z1= 1 -0.113032168376917E-01 0.355047704808403E-09
Lanczos iteration: 9
alpha(00000009)= 0.000000
beta (00000009)= 18.781569
gamma(00000009)= 18.781569
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 10
alpha(00000010)= 0.000000
beta (00000010)= 17.810587
gamma(00000010)= 17.810587
z1= 1 0.119965592396033E-01 -0.121782778035797E-09
Lanczos iteration: 11
alpha(00000011)= 0.000000
beta (00000011)= 17.936568
gamma(00000011)= 17.936568
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 12
alpha(00000012)= 0.000000
beta (00000012)= 20.154720
gamma(00000012)= 20.154720
z1= 1 -0.107333937078930E-01 0.126079336891102E-09
Lanczos iteration: 13
alpha(00000013)= 0.000000
beta (00000013)= 18.902723
gamma(00000013)= 18.902723
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 14
alpha(00000014)= 0.000000
beta (00000014)= 21.585594
gamma(00000014)= 21.585594
z1= 1 0.944294292806052E-02 -0.577658957239025E-10
Lanczos iteration: 15
alpha(00000015)= 0.000000
beta (00000015)= 19.260212
gamma(00000015)= 19.260212
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 16
alpha(00000016)= 0.000000
beta (00000016)= 21.301241
gamma(00000016)= 21.301241
z1= 1 -0.858753641439617E-02 0.268867945993985E-10
Lanczos iteration: 17
alpha(00000017)= 0.000000
beta (00000017)= 18.544872
gamma(00000017)= 18.544872
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 18
alpha(00000018)= 0.000000
beta (00000018)= 20.202142
gamma(00000018)= 20.202142
z1= 1 0.793124940931191E-02 -0.370584991989742E-10
Lanczos iteration: 19
alpha(00000019)= 0.000000
beta (00000019)= 19.033505
gamma(00000019)= 19.033505
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 20
alpha(00000020)= 0.000000
beta (00000020)= 19.538013
gamma(00000020)= 19.538013
z1= 1 -0.778111301702957E-02 -0.605009623249070E-10
Lanczos iteration: 21
alpha(00000021)= 0.000000
beta (00000021)= 19.715798
gamma(00000021)= 19.715798
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 22
alpha(00000022)= 0.000000
beta (00000022)= 19.737188
gamma(00000022)= 19.737188
z1= 1 0.782081573601183E-02 0.280402908550550E-09
Lanczos iteration: 23
alpha(00000023)= 0.000000
beta (00000023)= 19.628983
gamma(00000023)= 19.628983
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 24
alpha(00000024)= 0.000000
beta (00000024)= 19.951364
gamma(00000024)= 19.951364
z1= 1 -0.774179408733104E-02 -0.365129090971062E-09
Lanczos iteration: 25
alpha(00000025)= 0.000000
beta (00000025)= 19.369069
gamma(00000025)= 19.369069
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 26
alpha(00000026)= 0.000000
beta (00000026)= 20.153387
gamma(00000026)= 20.153387
z1= 1 0.748474679619436E-02 0.320025945554423E-09
Lanczos iteration: 27
alpha(00000027)= 0.000000
beta (00000027)= 19.174946
gamma(00000027)= 19.174946
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 28
alpha(00000028)= 0.000000
beta (00000028)= 20.541105
gamma(00000028)= 20.541105
z1= 1 -0.702656878181584E-02 -0.369383470011523E-09
Lanczos iteration: 29
alpha(00000029)= 0.000000
beta (00000029)= 18.954817
gamma(00000029)= 18.954817
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 30
alpha(00000030)= 0.000000
beta (00000030)= 20.707952
gamma(00000030)= 20.707952
z1= 1 0.646924745281673E-02 0.388112482432220E-09
Lanczos iteration: 31
alpha(00000031)= 0.000000
beta (00000031)= 19.113751
gamma(00000031)= 19.113751
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 32
alpha(00000032)= 0.000000
beta (00000032)= 20.476891
gamma(00000032)= 20.476891
z1= 1 -0.607104699248911E-02 -0.334654690868049E-09
Lanczos iteration: 33
alpha(00000033)= 0.000000
beta (00000033)= 19.421136
gamma(00000033)= 19.421136
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 34
alpha(00000034)= 0.000000
beta (00000034)= 19.941737
gamma(00000034)= 19.941737
z1= 1 0.594230830242825E-02 0.358825525916540E-09
Lanczos iteration: 35
alpha(00000035)= 0.000000
beta (00000035)= 19.672472
gamma(00000035)= 19.672472
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 36
alpha(00000036)= 0.000000
beta (00000036)= 19.890389
gamma(00000036)= 19.890389
z1= 1 -0.589804481269319E-02 -0.363759958546597E-09
Lanczos iteration: 37
alpha(00000037)= 0.000000
beta (00000037)= 19.765298
gamma(00000037)= 19.765298
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 38
alpha(00000038)= 0.000000
beta (00000038)= 20.029680
gamma(00000038)= 20.029680
z1= 1 0.583478992513492E-02 0.341192047629216E-09
Lanczos iteration: 39
alpha(00000039)= 0.000000
beta (00000039)= 19.538806
gamma(00000039)= 19.538806
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 40
alpha(00000040)= 0.000000
beta (00000040)= 20.365242
gamma(00000040)= 20.365242
z1= 1 -0.560797949950301E-02 -0.303108424119476E-09
Lanczos iteration: 41
alpha(00000041)= 0.000000
beta (00000041)= 19.208807
gamma(00000041)= 19.208807
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 42
alpha(00000042)= 0.000000
beta (00000042)= 20.106531
gamma(00000042)= 20.106531
z1= 1 0.536592467323773E-02 0.259453279959746E-09
Lanczos iteration: 43
alpha(00000043)= 0.000000
beta (00000043)= 19.077249
gamma(00000043)= 19.077249
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 44
alpha(00000044)= 0.000000
beta (00000044)= 20.559361
gamma(00000044)= 20.559361
z1= 1 -0.498873745802862E-02 -0.247662593935487E-09
Lanczos iteration: 45
alpha(00000045)= 0.000000
beta (00000045)= 19.564277
gamma(00000045)= 19.564277
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 46
alpha(00000046)= 0.000000
beta (00000046)= 20.379599
gamma(00000046)= 20.379599
z1= 1 0.479877050529719E-02 0.217679012064988E-09
Lanczos iteration: 47
alpha(00000047)= 0.000000
beta (00000047)= 19.359770
gamma(00000047)= 19.359770
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 48
alpha(00000048)= 0.000000
beta (00000048)= 19.923019
gamma(00000048)= 19.923019
z1= 1 -0.467585546069734E-02 -0.470626534501981E-10
Lanczos iteration: 49
alpha(00000049)= 0.000000
beta (00000049)= 19.675220
gamma(00000049)= 19.675220
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 50
alpha(00000050)= 0.000000
beta (00000050)= 19.664309
gamma(00000050)= 19.664309
z1= 1 0.469314222210749E-02 0.363273490344937E-10
Lanczos iteration: 51
alpha(00000051)= 0.000000
beta (00000051)= 19.761356
gamma(00000051)= 19.761356
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 52
alpha(00000052)= 0.000000
beta (00000052)= 19.514864
gamma(00000052)= 19.514864
z1= 1 -0.476897996972260E-02 -0.112388735766209E-09
Lanczos iteration: 53
alpha(00000053)= 0.000000
beta (00000053)= 19.756732
gamma(00000053)= 19.756732
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 54
alpha(00000054)= 0.000000
beta (00000054)= 20.341485
gamma(00000054)= 20.341485
z1= 1 0.464860265528755E-02 0.898262448168213E-10
Lanczos iteration: 55
alpha(00000055)= 0.000000
beta (00000055)= 19.366082
gamma(00000055)= 19.366082
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 56
alpha(00000056)= 0.000000
beta (00000056)= 20.181712
gamma(00000056)= 20.181712
z1= 1 -0.447558525934001E-02 -0.159445285767285E-09
Lanczos iteration: 57
alpha(00000057)= 0.000000
beta (00000057)= 19.110861
gamma(00000057)= 19.110861
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 58
alpha(00000058)= 0.000000
beta (00000058)= 20.548430
gamma(00000058)= 20.548430
z1= 1 0.417660743604910E-02 0.190198374710866E-09
Lanczos iteration: 59
alpha(00000059)= 0.000000
beta (00000059)= 19.006440
gamma(00000059)= 19.006440
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 60
alpha(00000060)= 0.000000
beta (00000060)= 19.915598
gamma(00000060)= 19.915598
z1= 1 -0.399649581569646E-02 -0.173761633916558E-09
Lanczos iteration: 61
alpha(00000061)= 0.000000
beta (00000061)= 19.755455
gamma(00000061)= 19.755455
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 62
alpha(00000062)= 0.000000
beta (00000062)= 19.840242
gamma(00000062)= 19.840242
z1= 1 0.398696846867821E-02 0.157544821431940E-09
Lanczos iteration: 63
alpha(00000063)= 0.000000
beta (00000063)= 19.744049
gamma(00000063)= 19.744049
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 64
alpha(00000064)= 0.000000
beta (00000064)= 19.804270
gamma(00000064)= 19.804270
z1= 1 -0.397714969496906E-02 -0.714811065913662E-10
Lanczos iteration: 65
alpha(00000065)= 0.000000
beta (00000065)= 19.678152
gamma(00000065)= 19.678152
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 66
alpha(00000066)= 0.000000
beta (00000066)= 19.928021
gamma(00000066)= 19.928021
z1= 1 0.392525991461825E-02 -0.781586975028857E-10
Lanczos iteration: 67
alpha(00000067)= 0.000000
beta (00000067)= 19.308402
gamma(00000067)= 19.308402
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 68
alpha(00000068)= 0.000000
beta (00000068)= 19.956440
gamma(00000068)= 19.956440
z1= 1 -0.379392666399547E-02 0.173525990806265E-09
Lanczos iteration: 69
alpha(00000069)= 0.000000
beta (00000069)= 19.509087
gamma(00000069)= 19.509087
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 70
alpha(00000070)= 0.000000
beta (00000070)= 19.989164
gamma(00000070)= 19.989164
z1= 1 0.369728129718170E-02 -0.241862223480576E-09
Lanczos iteration: 71
alpha(00000071)= 0.000000
beta (00000071)= 19.392901
gamma(00000071)= 19.392901
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 72
alpha(00000072)= 0.000000
beta (00000072)= 20.263294
gamma(00000072)= 20.263294
z1= 1 -0.353576444477498E-02 0.344246343506336E-09
Lanczos iteration: 73
alpha(00000073)= 0.000000
beta (00000073)= 19.407962
gamma(00000073)= 19.407962
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 74
alpha(00000074)= 0.000000
beta (00000074)= 19.809447
gamma(00000074)= 19.809447
z1= 1 0.346161532299160E-02 -0.399854364436908E-09
Lanczos iteration: 75
alpha(00000075)= 0.000000
beta (00000075)= 19.723162
gamma(00000075)= 19.723162
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 76
alpha(00000076)= 0.000000
beta (00000076)= 19.592457
gamma(00000076)= 19.592457
z1= 1 -0.348621906767339E-02 0.452265510464331E-09
Lanczos iteration: 77
alpha(00000077)= 0.000000
beta (00000077)= 19.601983
gamma(00000077)= 19.601983
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 78
alpha(00000078)= 0.000000
beta (00000078)= 19.929294
gamma(00000078)= 19.929294
z1= 1 0.343196380807378E-02 -0.496297491545394E-09
Lanczos iteration: 79
alpha(00000079)= 0.000000
beta (00000079)= 19.530948
gamma(00000079)= 19.530948
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 80
alpha(00000080)= 0.000000
beta (00000080)= 19.955407
gamma(00000080)= 19.955407
z1= 1 -0.336431607995936E-02 0.490712687812632E-09
Lanczos iteration: 81
alpha(00000081)= 0.000000
beta (00000081)= 19.457851
gamma(00000081)= 19.457851
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 82
alpha(00000082)= 0.000000
beta (00000082)= 20.152281
gamma(00000082)= 20.152281
z1= 1 0.325327659579123E-02 -0.445677084223446E-09
Lanczos iteration: 83
alpha(00000083)= 0.000000
beta (00000083)= 19.444584
gamma(00000083)= 19.444584
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 84
alpha(00000084)= 0.000000
beta (00000084)= 20.008182
gamma(00000084)= 20.008182
z1= 1 -0.316466920264172E-02 0.481149701209714E-09
Lanczos iteration: 85
alpha(00000085)= 0.000000
beta (00000085)= 19.370970
gamma(00000085)= 19.370970
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 86
alpha(00000086)= 0.000000
beta (00000086)= 19.641648
gamma(00000086)= 19.641648
z1= 1 0.312215815937184E-02 -0.369361115985671E-09
Lanczos iteration: 87
alpha(00000087)= 0.000000
beta (00000087)= 19.581245
gamma(00000087)= 19.581245
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 88
alpha(00000088)= 0.000000
beta (00000088)= 20.084439
gamma(00000088)= 20.084439
z1= 1 -0.304095767306443E-02 0.126224998847459E-09
Lanczos iteration: 89
alpha(00000089)= 0.000000
beta (00000089)= 19.627532
gamma(00000089)= 19.627532
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 90
alpha(00000090)= 0.000000
beta (00000090)= 19.927661
gamma(00000090)= 19.927661
z1= 1 0.298784473593067E-02 -0.642444263094637E-11
Lanczos iteration: 91
alpha(00000091)= 0.000000
beta (00000091)= 19.527901
gamma(00000091)= 19.527901
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 92
alpha(00000092)= 0.000000
beta (00000092)= 19.845383
gamma(00000092)= 19.845383
z1= 1 -0.292920751358314E-02 -0.169405383699936E-09
Lanczos iteration: 93
alpha(00000093)= 0.000000
beta (00000093)= 19.615235
gamma(00000093)= 19.615235
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 94
alpha(00000094)= 0.000000
beta (00000094)= 20.041675
gamma(00000094)= 20.041675
z1= 1 0.285273132185372E-02 0.310264826006558E-09
Lanczos iteration: 95
alpha(00000095)= 0.000000
beta (00000095)= 19.242615
gamma(00000095)= 19.242615
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 96
alpha(00000096)= 0.000000
beta (00000096)= 19.889541
gamma(00000096)= 19.889541
z1= 1 -0.274605080837212E-02 -0.469006225903261E-09
Lanczos iteration: 97
alpha(00000097)= 0.000000
beta (00000097)= 19.538736
gamma(00000097)= 19.538736
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 98
alpha(00000098)= 0.000000
beta (00000098)= 19.989133
gamma(00000098)= 19.989133
z1= 1 0.266878882633836E-02 0.627483945445577E-09
Lanczos iteration: 99
alpha(00000099)= 0.000000
beta (00000099)= 19.769905
gamma(00000099)= 19.769905
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 100
alpha(00000100)= 0.000000
beta (00000100)= 19.853951
gamma(00000100)= 19.853951
z1= 1 -0.264677060929691E-02 -0.720273091756862E-09
Lanczos iteration: 101
alpha(00000101)= 0.000000
beta (00000101)= 19.582594
gamma(00000101)= 19.582594
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 102
alpha(00000102)= 0.000000
beta (00000102)= 20.082951
gamma(00000102)= 20.082951
z1= 1 0.257106670040081E-02 0.881859799137852E-09
Lanczos iteration: 103
alpha(00000103)= 0.000000
beta (00000103)= 19.422783
gamma(00000103)= 19.422783
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 104
alpha(00000104)= 0.000000
beta (00000104)= 20.060347
gamma(00000104)= 20.060347
z1= 1 -0.248632217676435E-02 -0.776969617224280E-09
Lanczos iteration: 105
alpha(00000105)= 0.000000
beta (00000105)= 19.289764
gamma(00000105)= 19.289764
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 106
alpha(00000106)= 0.000000
beta (00000106)= 20.178899
gamma(00000106)= 20.178899
z1= 1 0.237618779497746E-02 0.590330010046525E-09
Lanczos iteration: 107
alpha(00000107)= 0.000000
beta (00000107)= 19.719245
gamma(00000107)= 19.719245
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 108
alpha(00000108)= 0.000000
beta (00000108)= 19.803353
gamma(00000108)= 19.803353
z1= 1 -0.237065076283718E-02 -0.533113716568600E-09
Lanczos iteration: 109
alpha(00000109)= 0.000000
beta (00000109)= 19.624264
gamma(00000109)= 19.624264
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 110
alpha(00000110)= 0.000000
beta (00000110)= 20.044951
gamma(00000110)= 20.044951
z1= 1 0.232453309615245E-02 0.429828869841344E-09
Lanczos iteration: 111
alpha(00000111)= 0.000000
beta (00000111)= 19.597809
gamma(00000111)= 19.597809
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 112
alpha(00000112)= 0.000000
beta (00000112)= 19.997045
gamma(00000112)= 19.997045
z1= 1 -0.228181651052817E-02 -0.360555480426698E-09
Lanczos iteration: 113
alpha(00000113)= 0.000000
beta (00000113)= 19.354849
gamma(00000113)= 19.354849
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 114
alpha(00000114)= 0.000000
beta (00000114)= 20.220027
gamma(00000114)= 20.220027
z1= 1 0.218406342729453E-02 0.173796869150619E-09
Lanczos iteration: 115
alpha(00000115)= 0.000000
beta (00000115)= 19.554014
gamma(00000115)= 19.554014
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 116
alpha(00000116)= 0.000000
beta (00000116)= 19.877372
gamma(00000116)= 19.877372
z1= 1 -0.214561591199364E-02 0.583380111977439E-11
Lanczos iteration: 117
alpha(00000117)= 0.000000
beta (00000117)= 19.648161
gamma(00000117)= 19.648161
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 118
alpha(00000118)= 0.000000
beta (00000118)= 20.125295
gamma(00000118)= 20.125295
z1= 1 0.208481188057586E-02 -0.121589276925296E-09
Lanczos iteration: 119
alpha(00000119)= 0.000000
beta (00000119)= 19.510483
gamma(00000119)= 19.510483
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 120
alpha(00000120)= 0.000000
beta (00000120)= 19.846606
gamma(00000120)= 19.846606
z1= 1 -0.203704424944035E-02 0.313099158412472E-09
Lanczos iteration: 121
alpha(00000121)= 0.000000
beta (00000121)= 19.584833
gamma(00000121)= 19.584833
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 122
alpha(00000122)= 0.000000
beta (00000122)= 19.974054
gamma(00000122)= 19.974054
z1= 1 0.197985797430155E-02 -0.521864562831734E-09
Lanczos iteration: 123
alpha(00000123)= 0.000000
beta (00000123)= 19.378406
gamma(00000123)= 19.378406
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 124
alpha(00000124)= 0.000000
beta (00000124)= 20.050258
gamma(00000124)= 20.050258
z1= 1 -0.190073809446030E-02 0.621425770185138E-09
Lanczos iteration: 125
alpha(00000125)= 0.000000
beta (00000125)= 19.615053
gamma(00000125)= 19.615053
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 126
alpha(00000126)= 0.000000
beta (00000126)= 20.036032
gamma(00000126)= 20.036032
z1= 1 0.184515101025459E-02 -0.693844360510334E-09
Lanczos iteration: 127
alpha(00000127)= 0.000000
beta (00000127)= 19.438884
gamma(00000127)= 19.438884
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 128
alpha(00000128)= 0.000000
beta (00000128)= 19.994300
gamma(00000128)= 19.994300
z1= 1 -0.178680247610279E-02 0.759008637361680E-09
Lanczos iteration: 129
alpha(00000129)= 0.000000
beta (00000129)= 19.674764
gamma(00000129)= 19.674764
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 130
alpha(00000130)= 0.000000
beta (00000130)= 19.930691
gamma(00000130)= 19.930691
z1= 1 0.175508533880592E-02 -0.866899828738486E-09
Lanczos iteration: 131
alpha(00000131)= 0.000000
beta (00000131)= 19.583423
gamma(00000131)= 19.583423
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 132
alpha(00000132)= 0.000000
beta (00000132)= 19.916157
gamma(00000132)= 19.916157
z1= 1 -0.172680022763757E-02 0.866453383786107E-09
Lanczos iteration: 133
alpha(00000133)= 0.000000
beta (00000133)= 19.643930
gamma(00000133)= 19.643930
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 134
alpha(00000134)= 0.000000
beta (00000134)= 19.801195
gamma(00000134)= 19.801195
z1= 1 0.171136734342601E-02 -0.814198083824181E-09
Lanczos iteration: 135
alpha(00000135)= 0.000000
beta (00000135)= 19.658383
gamma(00000135)= 19.658383
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 136
alpha(00000136)= 0.000000
beta (00000136)= 19.996256
gamma(00000136)= 19.996256
z1= 1 -0.168569888083128E-02 0.814190626389359E-09
Lanczos iteration: 137
alpha(00000137)= 0.000000
beta (00000137)= 19.517850
gamma(00000137)= 19.517850
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 138
alpha(00000138)= 0.000000
beta (00000138)= 19.961299
gamma(00000138)= 19.961299
z1= 1 0.164631853888538E-02 -0.806983678230643E-09
Lanczos iteration: 139
alpha(00000139)= 0.000000
beta (00000139)= 19.876833
gamma(00000139)= 19.876833
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 140
alpha(00000140)= 0.000000
beta (00000140)= 20.067371
gamma(00000140)= 20.067371
z1= 1 -0.163039365814766E-02 0.753885729171715E-09
Lanczos iteration: 141
alpha(00000141)= 0.000000
beta (00000141)= 19.528995
gamma(00000141)= 19.528995
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 142
alpha(00000142)= 0.000000
beta (00000142)= 20.015002
gamma(00000142)= 20.015002
z1= 1 0.158457431734441E-02 -0.710102142600707E-09
Lanczos iteration: 143
alpha(00000143)= 0.000000
beta (00000143)= 19.636982
gamma(00000143)= 19.636982
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 144
alpha(00000144)= 0.000000
beta (00000144)= 19.876028
gamma(00000144)= 19.876028
z1= 1 -0.155931304297046E-02 0.720412733938466E-09
Lanczos iteration: 145
alpha(00000145)= 0.000000
beta (00000145)= 19.435804
gamma(00000145)= 19.435804
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 146
alpha(00000146)= 0.000000
beta (00000146)= 19.952574
gamma(00000146)= 19.952574
z1= 1 0.150632558413984E-02 -0.574328176158806E-09
Lanczos iteration: 147
alpha(00000147)= 0.000000
beta (00000147)= 19.529846
gamma(00000147)= 19.529846
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 148
alpha(00000148)= 0.000000
beta (00000148)= 19.951960
gamma(00000148)= 19.951960
z1= 1 -0.146364586383882E-02 0.439480325621583E-09
Lanczos iteration: 149
alpha(00000149)= 0.000000
beta (00000149)= 19.856082
gamma(00000149)= 19.856082
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 150
alpha(00000150)= 0.000000
beta (00000150)= 19.903607
gamma(00000150)= 19.903607
z1= 1 0.144556473780653E-02 -0.320843573139371E-09
Lanczos iteration: 151
alpha(00000151)= 0.000000
beta (00000151)= 19.601877
gamma(00000151)= 19.601877
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 152
alpha(00000152)= 0.000000
beta (00000152)= 20.220987
gamma(00000152)= 20.220987
z1= 1 -0.139380084320583E-02 0.104618878818842E-09
Lanczos iteration: 153
alpha(00000153)= 0.000000
beta (00000153)= 19.593591
gamma(00000153)= 19.593591
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 154
alpha(00000154)= 0.000000
beta (00000154)= 19.776578
gamma(00000154)= 19.776578
z1= 1 0.137271073836582E-02 0.369096860285306E-10
Lanczos iteration: 155
alpha(00000155)= 0.000000
beta (00000155)= 19.638147
gamma(00000155)= 19.638147
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 156
alpha(00000156)= 0.000000
beta (00000156)= 19.949185
gamma(00000156)= 19.949185
z1= 1 -0.135206068052957E-02 -0.220160598797325E-09
Lanczos iteration: 157
alpha(00000157)= 0.000000
beta (00000157)= 19.559356
gamma(00000157)= 19.559356
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 158
alpha(00000158)= 0.000000
beta (00000158)= 19.892741
gamma(00000158)= 19.892741
z1= 1 0.132990676190118E-02 0.419340416648083E-09
Lanczos iteration: 159
alpha(00000159)= 0.000000
beta (00000159)= 19.508575
gamma(00000159)= 19.508575
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 160
alpha(00000160)= 0.000000
beta (00000160)= 19.951431
gamma(00000160)= 19.951431
z1= 1 -0.130668110163512E-02 -0.617800775145077E-09
Lanczos iteration: 161
alpha(00000161)= 0.000000
beta (00000161)= 19.640623
gamma(00000161)= 19.640623
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 162
alpha(00000162)= 0.000000
beta (00000162)= 19.897411
gamma(00000162)= 19.897411
z1= 1 0.129367136887501E-02 0.771851470101821E-09
Lanczos iteration: 163
alpha(00000163)= 0.000000
beta (00000163)= 19.530819
gamma(00000163)= 19.530819
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 164
alpha(00000164)= 0.000000
beta (00000164)= 19.902879
gamma(00000164)= 19.902879
z1= 1 -0.127462271429750E-02 -0.890142683127349E-09
Lanczos iteration: 165
alpha(00000165)= 0.000000
beta (00000165)= 19.637997
gamma(00000165)= 19.637997
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 166
alpha(00000166)= 0.000000
beta (00000166)= 19.918909
gamma(00000166)= 19.918909
z1= 1 0.125696938763733E-02 0.934011660679122E-09
Lanczos iteration: 167
alpha(00000167)= 0.000000
beta (00000167)= 19.630912
gamma(00000167)= 19.630912
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 168
alpha(00000168)= 0.000000
beta (00000168)= 20.131981
gamma(00000168)= 20.131981
z1= 1 -0.122372758699539E-02 -0.960029722893072E-09
Lanczos iteration: 169
alpha(00000169)= 0.000000
beta (00000169)= 19.447904
gamma(00000169)= 19.447904
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 170
alpha(00000170)= 0.000000
beta (00000170)= 19.946420
gamma(00000170)= 19.946420
z1= 1 0.118660713339151E-02 0.924107779889764E-09
Lanczos iteration: 171
alpha(00000171)= 0.000000
beta (00000171)= 19.455603
gamma(00000171)= 19.455603
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 172
alpha(00000172)= 0.000000
beta (00000172)= 19.854889
gamma(00000172)= 19.854889
z1= 1 -0.115460192316718E-02 -0.754584808498304E-09
Lanczos iteration: 173
alpha(00000173)= 0.000000
beta (00000173)= 19.557541
gamma(00000173)= 19.557541
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 174
alpha(00000174)= 0.000000
beta (00000174)= 19.974987
gamma(00000174)= 19.974987
z1= 1 0.112180484157442E-02 0.755807271649870E-09
Lanczos iteration: 175
alpha(00000175)= 0.000000
beta (00000175)= 19.580524
gamma(00000175)= 19.580524
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 176
alpha(00000176)= 0.000000
beta (00000176)= 20.041990
gamma(00000176)= 20.041990
z1= 1 -0.108927286663698E-02 -0.771382507352258E-09
Lanczos iteration: 177
alpha(00000177)= 0.000000
beta (00000177)= 19.584581
gamma(00000177)= 19.584581
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 178
alpha(00000178)= 0.000000
beta (00000178)= 20.109091
gamma(00000178)= 20.109091
z1= 1 0.105479089059471E-02 0.751324484634231E-09
Lanczos iteration: 179
alpha(00000179)= 0.000000
beta (00000179)= 19.452294
gamma(00000179)= 19.452294
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 180
alpha(00000180)= 0.000000
beta (00000180)= 20.061154
gamma(00000180)= 20.061154
z1= 1 -0.102050377426679E-02 -0.717370201048883E-09
Lanczos iteration: 181
alpha(00000181)= 0.000000
beta (00000181)= 19.594369
gamma(00000181)= 19.594369
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 182
alpha(00000182)= 0.000000
beta (00000182)= 20.022173
gamma(00000182)= 20.022173
z1= 1 0.997801373269715E-03 0.572837918811067E-09
Lanczos iteration: 183
alpha(00000183)= 0.000000
beta (00000183)= 19.440530
gamma(00000183)= 19.440530
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 184
alpha(00000184)= 0.000000
beta (00000184)= 20.176990
gamma(00000184)= 20.176990
z1= 1 -0.964446798468084E-03 -0.402165195203582E-09
Lanczos iteration: 185
alpha(00000185)= 0.000000
beta (00000185)= 19.275872
gamma(00000185)= 19.275872
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 186
alpha(00000186)= 0.000000
beta (00000186)= 19.961099
gamma(00000186)= 19.961099
z1= 1 0.934203614901115E-03 0.294353995994252E-09
Lanczos iteration: 187
alpha(00000187)= 0.000000
beta (00000187)= 19.573457
gamma(00000187)= 19.573457
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 188
alpha(00000188)= 0.000000
beta (00000188)= 19.897635
gamma(00000188)= 19.897635
z1= 1 -0.923374304507980E-03 -0.252169685887840E-09
Lanczos iteration: 189
alpha(00000189)= 0.000000
beta (00000189)= 19.474880
gamma(00000189)= 19.474880
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 190
alpha(00000190)= 0.000000
beta (00000190)= 20.033848
gamma(00000190)= 20.033848
z1= 1 0.899492556621813E-03 0.159357538709003E-09
Lanczos iteration: 191
alpha(00000191)= 0.000000
beta (00000191)= 19.650450
gamma(00000191)= 19.650450
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 192
alpha(00000192)= 0.000000
beta (00000192)= 20.079952
gamma(00000192)= 20.079952
z1= 1 -0.879884752493808E-03 -0.862165817190217E-10
Lanczos iteration: 193
alpha(00000193)= 0.000000
beta (00000193)= 19.681436
gamma(00000193)= 19.681436
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 194
alpha(00000194)= 0.000000
beta (00000194)= 19.803014
gamma(00000194)= 19.803014
z1= 1 0.871075198616006E-03 0.497235436629139E-10
Lanczos iteration: 195
alpha(00000195)= 0.000000
beta (00000195)= 19.622462
gamma(00000195)= 19.622462
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 196
alpha(00000196)= 0.000000
beta (00000196)= 19.845573
gamma(00000196)= 19.845573
z1= 1 -0.854693418891559E-03 0.739328995550741E-10
Lanczos iteration: 197
alpha(00000197)= 0.000000
beta (00000197)= 19.529701
gamma(00000197)= 19.529701
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 198
alpha(00000198)= 0.000000
beta (00000198)= 19.930298
gamma(00000198)= 19.930298
z1= 1 0.829863223646282E-03 -0.272173447854043E-09
Lanczos iteration: 199
alpha(00000199)= 0.000000
beta (00000199)= 19.416618
gamma(00000199)= 19.416618
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 200
alpha(00000200)= 0.000000
beta (00000200)= 19.911280
gamma(00000200)= 19.911280
z1= 1 -0.800972549656146E-03 0.359450376551992E-09
Lanczos iteration: 201
alpha(00000201)= 0.000000
beta (00000201)= 19.659830
gamma(00000201)= 19.659830
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 202
alpha(00000202)= 0.000000
beta (00000202)= 19.800065
gamma(00000202)= 19.800065
z1= 1 0.790225792145532E-03 -0.394112062283397E-09
Lanczos iteration: 203
alpha(00000203)= 0.000000
beta (00000203)= 19.695962
gamma(00000203)= 19.695962
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 204
alpha(00000204)= 0.000000
beta (00000204)= 19.871771
gamma(00000204)= 19.871771
z1= 1 -0.780026388711707E-03 0.489451958043491E-09
Lanczos iteration: 205
alpha(00000205)= 0.000000
beta (00000205)= 19.587314
gamma(00000205)= 19.587314
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 206
alpha(00000206)= 0.000000
beta (00000206)= 19.864793
gamma(00000206)= 19.864793
z1= 1 0.769202824913624E-03 -0.562603753781415E-09
Lanczos iteration: 207
alpha(00000207)= 0.000000
beta (00000207)= 19.594406
gamma(00000207)= 19.594406
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 208
alpha(00000208)= 0.000000
beta (00000208)= 19.776285
gamma(00000208)= 19.776285
z1= 1 -0.763848531637607E-03 0.606577267662756E-09
Lanczos iteration: 209
alpha(00000209)= 0.000000
beta (00000209)= 19.671090
gamma(00000209)= 19.671090
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 210
alpha(00000210)= 0.000000
beta (00000210)= 19.743465
gamma(00000210)= 19.743465
z1= 1 0.764400858271497E-03 -0.632246254624848E-09
Lanczos iteration: 211
alpha(00000211)= 0.000000
beta (00000211)= 19.572855
gamma(00000211)= 19.572855
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 212
alpha(00000212)= 0.000000
beta (00000212)= 19.631372
gamma(00000212)= 19.631372
z1= 1 -0.764107721581163E-03 0.678390326751760E-09
Lanczos iteration: 213
alpha(00000213)= 0.000000
beta (00000213)= 19.714189
gamma(00000213)= 19.714189
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 214
alpha(00000214)= 0.000000
beta (00000214)= 19.864126
gamma(00000214)= 19.864126
z1= 1 0.757990214598235E-03 -0.651207512866148E-09
Lanczos iteration: 215
alpha(00000215)= 0.000000
beta (00000215)= 19.647252
gamma(00000215)= 19.647252
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 216
alpha(00000216)= 0.000000
beta (00000216)= 19.855278
gamma(00000216)= 19.855278
z1= 1 -0.747114867271035E-03 0.647850413626853E-09
Lanczos iteration: 217
alpha(00000217)= 0.000000
beta (00000217)= 19.608053
gamma(00000217)= 19.608053
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 218
alpha(00000218)= 0.000000
beta (00000218)= 19.885192
gamma(00000218)= 19.885192
z1= 1 0.733310692808864E-03 -0.678078924312203E-09
Lanczos iteration: 219
alpha(00000219)= 0.000000
beta (00000219)= 19.552462
gamma(00000219)= 19.552462
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 220
alpha(00000220)= 0.000000
beta (00000220)= 19.858385
gamma(00000220)= 19.858385
z1= 1 -0.716052764292187E-03 0.673125336917809E-09
Lanczos iteration: 221
alpha(00000221)= 0.000000
beta (00000221)= 19.500669
gamma(00000221)= 19.500669
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 222
alpha(00000222)= 0.000000
beta (00000222)= 19.885800
gamma(00000222)= 19.885800
z1= 1 0.696656508364871E-03 -0.707380799659595E-09
Lanczos iteration: 223
alpha(00000223)= 0.000000
beta (00000223)= 19.601950
gamma(00000223)= 19.601950
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 224
alpha(00000224)= 0.000000
beta (00000224)= 19.924068
gamma(00000224)= 19.924068
z1= 1 -0.677296481349305E-03 0.749667854636927E-09
Lanczos iteration: 225
alpha(00000225)= 0.000000
beta (00000225)= 19.767621
gamma(00000225)= 19.767621
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 226
alpha(00000226)= 0.000000
beta (00000226)= 19.811059
gamma(00000226)= 19.811059
z1= 1 0.671616327401700E-03 -0.773365260594348E-09
Lanczos iteration: 227
alpha(00000227)= 0.000000
beta (00000227)= 19.765449
gamma(00000227)= 19.765449
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 228
alpha(00000228)= 0.000000
beta (00000228)= 19.917249
gamma(00000228)= 19.917249
z1= 1 -0.658901416634431E-03 0.810253848837958E-09
Lanczos iteration: 229
alpha(00000229)= 0.000000
beta (00000229)= 19.619967
gamma(00000229)= 19.619967
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 230
alpha(00000230)= 0.000000
beta (00000230)= 19.909842
gamma(00000230)= 19.909842
z1= 1 0.645248335328912E-03 -0.832883134834004E-09
Lanczos iteration: 231
alpha(00000231)= 0.000000
beta (00000231)= 19.558021
gamma(00000231)= 19.558021
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 232
alpha(00000232)= 0.000000
beta (00000232)= 19.936787
gamma(00000232)= 19.936787
z1= 1 -0.624746094358784E-03 0.756959623001357E-09
Lanczos iteration: 233
alpha(00000233)= 0.000000
beta (00000233)= 19.787387
gamma(00000233)= 19.787387
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 234
alpha(00000234)= 0.000000
beta (00000234)= 19.914367
gamma(00000234)= 19.914367
z1= 1 0.618370895252770E-03 -0.674486988824131E-09
Lanczos iteration: 235
alpha(00000235)= 0.000000
beta (00000235)= 19.811407
gamma(00000235)= 19.811407
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 236
alpha(00000236)= 0.000000
beta (00000236)= 19.936376
gamma(00000236)= 19.936376
z1= 1 -0.608727425951677E-03 0.406098642043743E-09
Lanczos iteration: 237
alpha(00000237)= 0.000000
beta (00000237)= 19.755621
gamma(00000237)= 19.755621
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 238
alpha(00000238)= 0.000000
beta (00000238)= 20.098603
gamma(00000238)= 20.098603
z1= 1 0.597455904067130E-03 -0.184513484966337E-09
Lanczos iteration: 239
alpha(00000239)= 0.000000
beta (00000239)= 19.601237
gamma(00000239)= 19.601237
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 240
alpha(00000240)= 0.000000
beta (00000240)= 19.919446
gamma(00000240)= 19.919446
z1= 1 -0.581634711265813E-03 0.453026364463771E-10
Lanczos iteration: 241
alpha(00000241)= 0.000000
beta (00000241)= 19.529855
gamma(00000241)= 19.529855
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 242
alpha(00000242)= 0.000000
beta (00000242)= 20.030932
gamma(00000242)= 20.030932
z1= 1 0.564676559187035E-03 0.114967274464970E-09
Lanczos iteration: 243
alpha(00000243)= 0.000000
beta (00000243)= 19.540541
gamma(00000243)= 19.540541
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 244
alpha(00000244)= 0.000000
beta (00000244)= 19.989989
gamma(00000244)= 19.989989
z1= 1 -0.544883933920321E-03 -0.315089341493176E-09
Lanczos iteration: 245
alpha(00000245)= 0.000000
beta (00000245)= 19.596422
gamma(00000245)= 19.596422
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 246
alpha(00000246)= 0.000000
beta (00000246)= 19.883158
gamma(00000246)= 19.883158
z1= 1 0.534093672096612E-03 0.463667871145494E-09
Lanczos iteration: 247
alpha(00000247)= 0.000000
beta (00000247)= 19.796536
gamma(00000247)= 19.796536
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 248
alpha(00000248)= 0.000000
beta (00000248)= 19.849338
gamma(00000248)= 19.849338
z1= 1 -0.524235323563568E-03 -0.556452990350333E-09
Lanczos iteration: 249
alpha(00000249)= 0.000000
beta (00000249)= 19.673453
gamma(00000249)= 19.673453
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 250
alpha(00000250)= 0.000000
beta (00000250)= 19.871922
gamma(00000250)= 19.871922
z1= 1 0.513995048804006E-03 0.759635750375438E-09
Lanczos iteration: 251
alpha(00000251)= 0.000000
beta (00000251)= 19.638754
gamma(00000251)= 19.638754
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 252
alpha(00000252)= 0.000000
beta (00000252)= 19.856082
gamma(00000252)= 19.856082
z1= 1 -0.498942065939437E-03 -0.772418414944033E-09
Lanczos iteration: 253
alpha(00000253)= 0.000000
beta (00000253)= 19.563475
gamma(00000253)= 19.563475
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 254
alpha(00000254)= 0.000000
beta (00000254)= 19.792504
gamma(00000254)= 19.792504
z1= 1 0.489160480051138E-03 0.937541618736902E-09
Lanczos iteration: 255
alpha(00000255)= 0.000000
beta (00000255)= 19.746270
gamma(00000255)= 19.746270
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 256
alpha(00000256)= 0.000000
beta (00000256)= 19.787416
gamma(00000256)= 19.787416
z1= 1 -0.480444655152757E-03 -0.112860472294809E-08
Lanczos iteration: 257
alpha(00000257)= 0.000000
beta (00000257)= 19.615813
gamma(00000257)= 19.615813
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 258
alpha(00000258)= 0.000000
beta (00000258)= 19.810425
gamma(00000258)= 19.810425
z1= 1 0.472385127996296E-03 0.113969931700863E-08
Lanczos iteration: 259
alpha(00000259)= 0.000000
beta (00000259)= 19.718994
gamma(00000259)= 19.718994
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 260
alpha(00000260)= 0.000000
beta (00000260)= 19.780016
gamma(00000260)= 19.780016
z1= 1 -0.465088344284935E-03 -0.113517034429472E-08
Lanczos iteration: 261
alpha(00000261)= 0.000000
beta (00000261)= 19.503916
gamma(00000261)= 19.503916
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 262
alpha(00000262)= 0.000000
beta (00000262)= 19.880542
gamma(00000262)= 19.880542
z1= 1 0.455304717400212E-03 0.118006878527005E-08
Lanczos iteration: 263
alpha(00000263)= 0.000000
beta (00000263)= 19.520766
gamma(00000263)= 19.520766
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 264
alpha(00000264)= 0.000000
beta (00000264)= 20.000059
gamma(00000264)= 20.000059
z1= 1 -0.441126714449000E-03 -0.114821221293170E-08
Lanczos iteration: 265
alpha(00000265)= 0.000000
beta (00000265)= 19.674571
gamma(00000265)= 19.674571
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 266
alpha(00000266)= 0.000000
beta (00000266)= 19.838698
gamma(00000266)= 19.838698
z1= 1 0.436587127340085E-03 0.104513965191886E-08
Lanczos iteration: 267
alpha(00000267)= 0.000000
beta (00000267)= 19.641252
gamma(00000267)= 19.641252
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 268
alpha(00000268)= 0.000000
beta (00000268)= 19.891076
gamma(00000268)= 19.891076
z1= 1 -0.428431561429020E-03 -0.894872330678481E-09
Lanczos iteration: 269
alpha(00000269)= 0.000000
beta (00000269)= 19.496887
gamma(00000269)= 19.496887
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 270
alpha(00000270)= 0.000000
beta (00000270)= 19.762621
gamma(00000270)= 19.762621
z1= 1 0.422670362542596E-03 0.791873451346496E-09
Lanczos iteration: 271
alpha(00000271)= 0.000000
beta (00000271)= 19.628946
gamma(00000271)= 19.628946
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 272
alpha(00000272)= 0.000000
beta (00000272)= 19.842280
gamma(00000272)= 19.842280
z1= 1 -0.416657665902959E-03 -0.655772973440355E-09
Lanczos iteration: 273
alpha(00000273)= 0.000000
beta (00000273)= 19.545197
gamma(00000273)= 19.545197
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 274
alpha(00000274)= 0.000000
beta (00000274)= 19.845045
gamma(00000274)= 19.845045
z1= 1 0.409558160459291E-03 0.317210256588947E-09
Lanczos iteration: 275
alpha(00000275)= 0.000000
beta (00000275)= 19.692587
gamma(00000275)= 19.692587
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 276
alpha(00000276)= 0.000000
beta (00000276)= 20.033673
gamma(00000276)= 20.033673
z1= 1 -0.399038523899836E-03 -0.454174600258191E-10
Lanczos iteration: 277
alpha(00000277)= 0.000000
beta (00000277)= 19.600398
gamma(00000277)= 19.600398
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 278
alpha(00000278)= 0.000000
beta (00000278)= 19.835970
gamma(00000278)= 19.835970
z1= 1 0.393007135630235E-03 -0.153370734990453E-09
Lanczos iteration: 279
alpha(00000279)= 0.000000
beta (00000279)= 19.603798
gamma(00000279)= 19.603798
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 280
alpha(00000280)= 0.000000
beta (00000280)= 19.774934
gamma(00000280)= 19.774934
z1= 1 -0.387737504391904E-03 0.412587892910213E-09
Lanczos iteration: 281
alpha(00000281)= 0.000000
beta (00000281)= 19.608213
gamma(00000281)= 19.608213
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 282
alpha(00000282)= 0.000000
beta (00000282)= 19.790585
gamma(00000282)= 19.790585
z1= 1 0.385475192939487E-03 -0.613077174941574E-09
Lanczos iteration: 283
alpha(00000283)= 0.000000
beta (00000283)= 19.674503
gamma(00000283)= 19.674503
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 284
alpha(00000284)= 0.000000
beta (00000284)= 19.892973
gamma(00000284)= 19.892973
z1= 1 -0.381270968687508E-03 0.795541628865932E-09
Lanczos iteration: 285
alpha(00000285)= 0.000000
beta (00000285)= 19.584354
gamma(00000285)= 19.584354
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 286
alpha(00000286)= 0.000000
beta (00000286)= 20.164626
gamma(00000286)= 20.164626
z1= 1 0.373339011462480E-03 -0.830440825568229E-09
Lanczos iteration: 287
alpha(00000287)= 0.000000
beta (00000287)= 19.736001
gamma(00000287)= 19.736001
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 288
alpha(00000288)= 0.000000
beta (00000288)= 19.989465
gamma(00000288)= 19.989465
z1= 1 -0.370976256488313E-03 0.764005471876904E-09
Lanczos iteration: 289
alpha(00000289)= 0.000000
beta (00000289)= 19.706434
gamma(00000289)= 19.706434
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 290
alpha(00000290)= 0.000000
beta (00000290)= 19.965668
gamma(00000290)= 19.965668
z1= 1 0.371285612889688E-03 -0.637714443370665E-09
Lanczos iteration: 291
alpha(00000291)= 0.000000
beta (00000291)= 19.691420
gamma(00000291)= 19.691420
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 292
alpha(00000292)= 0.000000
beta (00000292)= 19.839406
gamma(00000292)= 19.839406
z1= 1 -0.371723384941428E-03 0.624375457529773E-09
Lanczos iteration: 293
alpha(00000293)= 0.000000
beta (00000293)= 19.778701
gamma(00000293)= 19.778701
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 294
alpha(00000294)= 0.000000
beta (00000294)= 19.864849
gamma(00000294)= 19.864849
z1= 1 0.374252947171225E-03 -0.548264032353897E-09
Lanczos iteration: 295
alpha(00000295)= 0.000000
beta (00000295)= 19.713471
gamma(00000295)= 19.713471
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 296
alpha(00000296)= 0.000000
beta (00000296)= 19.912433
gamma(00000296)= 19.912433
z1= 1 -0.372326022257913E-03 0.428022457977886E-09
Lanczos iteration: 297
alpha(00000297)= 0.000000
beta (00000297)= 19.706565
gamma(00000297)= 19.706565
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 298
alpha(00000298)= 0.000000
beta (00000298)= 19.979194
gamma(00000298)= 19.979194
z1= 1 0.369840722042343E-03 -0.363340880216168E-09
Lanczos iteration: 299
alpha(00000299)= 0.000000
beta (00000299)= 19.630615
gamma(00000299)= 19.630615
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 300
alpha(00000300)= 0.000000
beta (00000300)= 19.893534
gamma(00000300)= 19.893534
z1= 1 -0.365991216993665E-03 0.228822554765881E-09
Lanczos iteration: 301
alpha(00000301)= 0.000000
beta (00000301)= 19.625230
gamma(00000301)= 19.625230
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 302
alpha(00000302)= 0.000000
beta (00000302)= 19.929131
gamma(00000302)= 19.929131
z1= 1 0.362798558850900E-03 -0.192290286276304E-09
Lanczos iteration: 303
alpha(00000303)= 0.000000
beta (00000303)= 19.618914
gamma(00000303)= 19.618914
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 304
alpha(00000304)= 0.000000
beta (00000304)= 19.808984
gamma(00000304)= 19.808984
z1= 1 -0.360779418176631E-03 0.211996655358432E-09
Lanczos iteration: 305
alpha(00000305)= 0.000000
beta (00000305)= 19.671208
gamma(00000305)= 19.671208
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 306
alpha(00000306)= 0.000000
beta (00000306)= 19.767335
gamma(00000306)= 19.767335
z1= 1 0.360814094795757E-03 -0.148529836058599E-09
Lanczos iteration: 307
alpha(00000307)= 0.000000
beta (00000307)= 19.680258
gamma(00000307)= 19.680258
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 308
alpha(00000308)= 0.000000
beta (00000308)= 19.766831
gamma(00000308)= 19.766831
z1= 1 -0.359968804870272E-03 0.219572540753907E-09
Lanczos iteration: 309
alpha(00000309)= 0.000000
beta (00000309)= 19.647489
gamma(00000309)= 19.647489
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 310
alpha(00000310)= 0.000000
beta (00000310)= 19.864918
gamma(00000310)= 19.864918
z1= 1 0.357371142588910E-03 -0.367865429485336E-09
Lanczos iteration: 311
alpha(00000311)= 0.000000
beta (00000311)= 19.552179
gamma(00000311)= 19.552179
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 312
alpha(00000312)= 0.000000
beta (00000312)= 19.911600
gamma(00000312)= 19.911600
z1= 1 -0.353123116387080E-03 0.470656188346776E-09
Lanczos iteration: 313
alpha(00000313)= 0.000000
beta (00000313)= 19.595630
gamma(00000313)= 19.595630
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 314
alpha(00000314)= 0.000000
beta (00000314)= 19.889187
gamma(00000314)= 19.889187
z1= 1 0.350650756352395E-03 -0.512390285941181E-09
Lanczos iteration: 315
alpha(00000315)= 0.000000
beta (00000315)= 19.613859
gamma(00000315)= 19.613859
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 316
alpha(00000316)= 0.000000
beta (00000316)= 19.834965
gamma(00000316)= 19.834965
z1= 1 -0.351385505028791E-03 0.497325801060203E-09
Lanczos iteration: 317
alpha(00000317)= 0.000000
beta (00000317)= 19.574895
gamma(00000317)= 19.574895
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 318
alpha(00000318)= 0.000000
beta (00000318)= 19.809859
gamma(00000318)= 19.809859
z1= 1 0.351224448989751E-03 -0.519100416397239E-09
Lanczos iteration: 319
alpha(00000319)= 0.000000
beta (00000319)= 19.607839
gamma(00000319)= 19.607839
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 320
alpha(00000320)= 0.000000
beta (00000320)= 19.790836
gamma(00000320)= 19.790836
z1= 1 -0.353594540547612E-03 0.488362404012733E-09
Lanczos iteration: 321
alpha(00000321)= 0.000000
beta (00000321)= 19.523809
gamma(00000321)= 19.523809
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 322
alpha(00000322)= 0.000000
beta (00000322)= 19.970646
gamma(00000322)= 19.970646
z1= 1 0.348333144467632E-03 -0.390393057504526E-09
Lanczos iteration: 323
alpha(00000323)= 0.000000
beta (00000323)= 19.534235
gamma(00000323)= 19.534235
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 324
alpha(00000324)= 0.000000
beta (00000324)= 19.867875
gamma(00000324)= 19.867875
z1= 1 -0.347055754881529E-03 0.234008928161793E-09
Lanczos iteration: 325
alpha(00000325)= 0.000000
beta (00000325)= 19.488274
gamma(00000325)= 19.488274
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 326
alpha(00000326)= 0.000000
beta (00000326)= 19.871875
gamma(00000326)= 19.871875
z1= 1 0.341627680847784E-03 -0.488963914412112E-10
Lanczos iteration: 327
alpha(00000327)= 0.000000
beta (00000327)= 19.505924
gamma(00000327)= 19.505924
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 328
alpha(00000328)= 0.000000
beta (00000328)= 19.799376
gamma(00000328)= 19.799376
z1= 1 -0.340413047149153E-03 -0.513027537484298E-10
Lanczos iteration: 329
alpha(00000329)= 0.000000
beta (00000329)= 19.700583
gamma(00000329)= 19.700583
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 330
alpha(00000330)= 0.000000
beta (00000330)= 19.877691
gamma(00000330)= 19.877691
z1= 1 0.337941095853981E-03 0.153613092229277E-09
Lanczos iteration: 331
alpha(00000331)= 0.000000
beta (00000331)= 19.681242
gamma(00000331)= 19.681242
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 332
alpha(00000332)= 0.000000
beta (00000332)= 19.703091
gamma(00000332)= 19.703091
z1= 1 -0.341773846982600E-03 -0.233516293594582E-09
Lanczos iteration: 333
alpha(00000333)= 0.000000
beta (00000333)= 19.725059
gamma(00000333)= 19.725059
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 334
alpha(00000334)= 0.000000
beta (00000334)= 19.667680
gamma(00000334)= 19.667680
z1= 1 0.345113603485534E-03 0.260060749633776E-09
Lanczos iteration: 335
alpha(00000335)= 0.000000
beta (00000335)= 19.619311
gamma(00000335)= 19.619311
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 336
alpha(00000336)= 0.000000
beta (00000336)= 19.731698
gamma(00000336)= 19.731698
z1= 1 -0.349535903726905E-03 -0.358845709980717E-09
Lanczos iteration: 337
alpha(00000337)= 0.000000
beta (00000337)= 19.682895
gamma(00000337)= 19.682895
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 338
alpha(00000338)= 0.000000
beta (00000338)= 19.820112
gamma(00000338)= 19.820112
z1= 1 0.350815117273903E-03 0.503582258379044E-09
Lanczos iteration: 339
alpha(00000339)= 0.000000
beta (00000339)= 19.694560
gamma(00000339)= 19.694560
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 340
alpha(00000340)= 0.000000
beta (00000340)= 19.898845
gamma(00000340)= 19.898845
z1= 1 -0.354175096463082E-03 -0.594777719096824E-09
Lanczos iteration: 341
alpha(00000341)= 0.000000
beta (00000341)= 19.752252
gamma(00000341)= 19.752252
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 342
alpha(00000342)= 0.000000
beta (00000342)= 19.880331
gamma(00000342)= 19.880331
z1= 1 0.355413164497435E-03 0.493483839042338E-09
Lanczos iteration: 343
alpha(00000343)= 0.000000
beta (00000343)= 19.604316
gamma(00000343)= 19.604316
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 344
alpha(00000344)= 0.000000
beta (00000344)= 19.861952
gamma(00000344)= 19.861952
z1= 1 -0.357343262742727E-03 -0.479865768121957E-09
Lanczos iteration: 345
alpha(00000345)= 0.000000
beta (00000345)= 19.725153
gamma(00000345)= 19.725153
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 346
alpha(00000346)= 0.000000
beta (00000346)= 20.003252
gamma(00000346)= 20.003252
z1= 1 0.353924256176070E-03 0.482873396799527E-09
Lanczos iteration: 347
alpha(00000347)= 0.000000
beta (00000347)= 19.690389
gamma(00000347)= 19.690389
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 348
alpha(00000348)= 0.000000
beta (00000348)= 19.941101
gamma(00000348)= 19.941101
z1= 1 -0.354336626413253E-03 -0.414829485353514E-09
Lanczos iteration: 349
alpha(00000349)= 0.000000
beta (00000349)= 19.741289
gamma(00000349)= 19.741289
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 350
alpha(00000350)= 0.000000
beta (00000350)= 19.714422
gamma(00000350)= 19.714422
z1= 1 0.354982610699476E-03 0.407943764538467E-09
Lanczos iteration: 351
alpha(00000351)= 0.000000
beta (00000351)= 19.747673
gamma(00000351)= 19.747673
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 352
alpha(00000352)= 0.000000
beta (00000352)= 19.858599
gamma(00000352)= 19.858599
z1= 1 -0.357565595399319E-03 -0.394186412541166E-09
Lanczos iteration: 353
alpha(00000353)= 0.000000
beta (00000353)= 19.710574
gamma(00000353)= 19.710574
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 354
alpha(00000354)= 0.000000
beta (00000354)= 19.955135
gamma(00000354)= 19.955135
z1= 1 0.352407224410373E-03 0.353609542168361E-09
Lanczos iteration: 355
alpha(00000355)= 0.000000
beta (00000355)= 19.706910
gamma(00000355)= 19.706910
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 356
alpha(00000356)= 0.000000
beta (00000356)= 19.936735
gamma(00000356)= 19.936735
z1= 1 -0.351765379734678E-03 -0.274597452908558E-09
Lanczos iteration: 357
alpha(00000357)= 0.000000
beta (00000357)= 19.867161
gamma(00000357)= 19.867161
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 358
alpha(00000358)= 0.000000
beta (00000358)= 19.879806
gamma(00000358)= 19.879806
z1= 1 0.350135320889402E-03 0.242641292089682E-09
Lanczos iteration: 359
alpha(00000359)= 0.000000
beta (00000359)= 19.620006
gamma(00000359)= 19.620006
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 360
alpha(00000360)= 0.000000
beta (00000360)= 19.900953
gamma(00000360)= 19.900953
z1= 1 -0.348591653364729E-03 -0.158982415322895E-09
Lanczos iteration: 361
alpha(00000361)= 0.000000
beta (00000361)= 19.657120
gamma(00000361)= 19.657120
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 362
alpha(00000362)= 0.000000
beta (00000362)= 19.798651
gamma(00000362)= 19.798651
z1= 1 0.345091138771483E-03 0.118448614766625E-09
Lanczos iteration: 363
alpha(00000363)= 0.000000
beta (00000363)= 19.586292
gamma(00000363)= 19.586292
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 364
alpha(00000364)= 0.000000
beta (00000364)= 19.832196
gamma(00000364)= 19.832196
z1= 1 -0.343714782271369E-03 -0.118445911816543E-09
Lanczos iteration: 365
alpha(00000365)= 0.000000
beta (00000365)= 19.573687
gamma(00000365)= 19.573687
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 366
alpha(00000366)= 0.000000
beta (00000366)= 19.833554
gamma(00000366)= 19.833554
z1= 1 0.338072099665129E-03 0.619540343073848E-10
Lanczos iteration: 367
alpha(00000367)= 0.000000
beta (00000367)= 19.879065
gamma(00000367)= 19.879065
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 368
alpha(00000368)= 0.000000
beta (00000368)= 19.857710
gamma(00000368)= 19.857710
z1= 1 -0.341155196621584E-03 -0.150867408348529E-10
Lanczos iteration: 369
alpha(00000369)= 0.000000
beta (00000369)= 19.808012
gamma(00000369)= 19.808012
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 370
alpha(00000370)= 0.000000
beta (00000370)= 19.843919
gamma(00000370)= 19.843919
z1= 1 0.338349722020128E-03 -0.572414655480476E-10
Lanczos iteration: 371
alpha(00000371)= 0.000000
beta (00000371)= 19.714936
gamma(00000371)= 19.714936
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 372
alpha(00000372)= 0.000000
beta (00000372)= 19.791559
gamma(00000372)= 19.791559
z1= 1 -0.336219073685752E-03 0.184117785939873E-09
Lanczos iteration: 373
alpha(00000373)= 0.000000
beta (00000373)= 19.653890
gamma(00000373)= 19.653890
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 374
alpha(00000374)= 0.000000
beta (00000374)= 19.838129
gamma(00000374)= 19.838129
z1= 1 0.327083799565597E-03 -0.302960474400244E-09
Lanczos iteration: 375
alpha(00000375)= 0.000000
beta (00000375)= 19.592806
gamma(00000375)= 19.592806
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 376
alpha(00000376)= 0.000000
beta (00000376)= 19.917891
gamma(00000376)= 19.917891
z1= 1 -0.317531963731660E-03 0.268538379982059E-09
Lanczos iteration: 377
alpha(00000377)= 0.000000
beta (00000377)= 19.571858
gamma(00000377)= 19.571858
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 378
alpha(00000378)= 0.000000
beta (00000378)= 19.968642
gamma(00000378)= 19.968642
z1= 1 0.304079062113358E-03 -0.321352704257047E-09
Lanczos iteration: 379
alpha(00000379)= 0.000000
beta (00000379)= 19.638114
gamma(00000379)= 19.638114
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 380
alpha(00000380)= 0.000000
beta (00000380)= 19.878952
gamma(00000380)= 19.878952
z1= 1 -0.295119672589584E-03 0.303922958181519E-09
Lanczos iteration: 381
alpha(00000381)= 0.000000
beta (00000381)= 19.646022
gamma(00000381)= 19.646022
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 382
alpha(00000382)= 0.000000
beta (00000382)= 20.139006
gamma(00000382)= 20.139006
z1= 1 0.280558464164934E-03 -0.236265389749186E-09
Lanczos iteration: 383
alpha(00000383)= 0.000000
beta (00000383)= 19.597461
gamma(00000383)= 19.597461
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 384
alpha(00000384)= 0.000000
beta (00000384)= 19.815732
gamma(00000384)= 19.815732
z1= 1 -0.272235335359195E-03 0.194775024593192E-09
Lanczos iteration: 385
alpha(00000385)= 0.000000
beta (00000385)= 19.568580
gamma(00000385)= 19.568580
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 386
alpha(00000386)= 0.000000
beta (00000386)= 20.004878
gamma(00000386)= 20.004878
z1= 1 0.259848131675407E-03 -0.933244881921345E-10
Lanczos iteration: 387
alpha(00000387)= 0.000000
beta (00000387)= 19.696086
gamma(00000387)= 19.696086
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 388
alpha(00000388)= 0.000000
beta (00000388)= 19.816310
gamma(00000388)= 19.816310
z1= 1 -0.253978076265133E-03 0.294856473046286E-10
Lanczos iteration: 389
alpha(00000389)= 0.000000
beta (00000389)= 19.792540
gamma(00000389)= 19.792540
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 390
alpha(00000390)= 0.000000
beta (00000390)= 19.938750
gamma(00000390)= 19.938750
z1= 1 0.247060584791779E-03 -0.769200108366043E-10
Lanczos iteration: 391
alpha(00000391)= 0.000000
beta (00000391)= 19.652873
gamma(00000391)= 19.652873
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 392
alpha(00000392)= 0.000000
beta (00000392)= 19.878490
gamma(00000392)= 19.878490
z1= 1 -0.241768722452035E-03 -0.768682204519238E-11
Lanczos iteration: 393
alpha(00000393)= 0.000000
beta (00000393)= 19.636052
gamma(00000393)= 19.636052
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 394
alpha(00000394)= 0.000000
beta (00000394)= 19.761604
gamma(00000394)= 19.761604
z1= 1 0.237034180234066E-03 0.454333323068612E-10
Lanczos iteration: 395
alpha(00000395)= 0.000000
beta (00000395)= 19.610703
gamma(00000395)= 19.610703
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 396
alpha(00000396)= 0.000000
beta (00000396)= 19.730121
gamma(00000396)= 19.730121
z1= 1 -0.235045959719626E-03 -0.467793077890812E-10
Lanczos iteration: 397
alpha(00000397)= 0.000000
beta (00000397)= 19.726037
gamma(00000397)= 19.726037
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 398
alpha(00000398)= 0.000000
beta (00000398)= 19.898736
gamma(00000398)= 19.898736
z1= 1 0.230200201150935E-03 0.869073219251943E-10
Lanczos iteration: 399
alpha(00000399)= 0.000000
beta (00000399)= 19.688139
gamma(00000399)= 19.688139
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 400
alpha(00000400)= 0.000000
beta (00000400)= 19.864120
gamma(00000400)= 19.864120
z1= 1 -0.227218869281347E-03 -0.195983695941779E-10
Lanczos iteration: 401
alpha(00000401)= 0.000000
beta (00000401)= 19.658730
gamma(00000401)= 19.658730
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 402
alpha(00000402)= 0.000000
beta (00000402)= 19.905004
gamma(00000402)= 19.905004
z1= 1 0.220504447893770E-03 0.528428088928964E-10
Lanczos iteration: 403
alpha(00000403)= 0.000000
beta (00000403)= 19.526145
gamma(00000403)= 19.526145
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 404
alpha(00000404)= 0.000000
beta (00000404)= 19.925177
gamma(00000404)= 19.925177
z1= 1 -0.215116669479831E-03 -0.123049693534668E-09
Lanczos iteration: 405
alpha(00000405)= 0.000000
beta (00000405)= 19.607905
gamma(00000405)= 19.607905
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 406
alpha(00000406)= 0.000000
beta (00000406)= 19.814376
gamma(00000406)= 19.814376
z1= 1 0.209390571645498E-03 0.190248655396828E-09
Lanczos iteration: 407
alpha(00000407)= 0.000000
beta (00000407)= 19.590666
gamma(00000407)= 19.590666
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 408
alpha(00000408)= 0.000000
beta (00000408)= 19.806779
gamma(00000408)= 19.806779
z1= 1 -0.207109848171550E-03 -0.199454445353664E-09
Lanczos iteration: 409
alpha(00000409)= 0.000000
beta (00000409)= 19.636054
gamma(00000409)= 19.636054
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 410
alpha(00000410)= 0.000000
beta (00000410)= 19.916860
gamma(00000410)= 19.916860
z1= 1 0.202094511186479E-03 0.530834293404245E-10
Lanczos iteration: 411
alpha(00000411)= 0.000000
beta (00000411)= 19.658784
gamma(00000411)= 19.658784
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 412
alpha(00000412)= 0.000000
beta (00000412)= 19.864400
gamma(00000412)= 19.864400
z1= 1 -0.201769605429484E-03 0.938706981882999E-10
Lanczos iteration: 413
alpha(00000413)= 0.000000
beta (00000413)= 19.670245
gamma(00000413)= 19.670245
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 414
alpha(00000414)= 0.000000
beta (00000414)= 19.859565
gamma(00000414)= 19.859565
z1= 1 0.200481030716837E-03 -0.217442442334516E-09
Lanczos iteration: 415
alpha(00000415)= 0.000000
beta (00000415)= 19.647744
gamma(00000415)= 19.647744
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 416
alpha(00000416)= 0.000000
beta (00000416)= 19.935634
gamma(00000416)= 19.935634
z1= 1 -0.200749531661350E-03 0.412852467985992E-09
Lanczos iteration: 417
alpha(00000417)= 0.000000
beta (00000417)= 19.650707
gamma(00000417)= 19.650707
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 418
alpha(00000418)= 0.000000
beta (00000418)= 19.779091
gamma(00000418)= 19.779091
z1= 1 0.201311302344370E-03 -0.437401518520924E-09
Lanczos iteration: 419
alpha(00000419)= 0.000000
beta (00000419)= 19.736066
gamma(00000419)= 19.736066
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 420
alpha(00000420)= 0.000000
beta (00000420)= 19.757213
gamma(00000420)= 19.757213
z1= 1 -0.203852925878256E-03 0.409949561711502E-09
Lanczos iteration: 421
alpha(00000421)= 0.000000
beta (00000421)= 19.615410
gamma(00000421)= 19.615410
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 422
alpha(00000422)= 0.000000
beta (00000422)= 19.796090
gamma(00000422)= 19.796090
z1= 1 0.204714864759900E-03 -0.452232091167934E-09
Lanczos iteration: 423
alpha(00000423)= 0.000000
beta (00000423)= 19.613532
gamma(00000423)= 19.613532
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 424
alpha(00000424)= 0.000000
beta (00000424)= 19.953764
gamma(00000424)= 19.953764
z1= 1 -0.203599447560850E-03 0.380873866349531E-09
Lanczos iteration: 425
alpha(00000425)= 0.000000
beta (00000425)= 19.597269
gamma(00000425)= 19.597269
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 426
alpha(00000426)= 0.000000
beta (00000426)= 19.939745
gamma(00000426)= 19.939745
z1= 1 0.204502562795082E-03 -0.370006859077615E-09
Lanczos iteration: 427
alpha(00000427)= 0.000000
beta (00000427)= 19.681014
gamma(00000427)= 19.681014
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 428
alpha(00000428)= 0.000000
beta (00000428)= 19.910012
gamma(00000428)= 19.910012
z1= 1 -0.206162610243476E-03 0.404543747840194E-09
Lanczos iteration: 429
alpha(00000429)= 0.000000
beta (00000429)= 19.616271
gamma(00000429)= 19.616271
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 430
alpha(00000430)= 0.000000
beta (00000430)= 19.863890
gamma(00000430)= 19.863890
z1= 1 0.210732786514696E-03 -0.273256824015033E-09
Lanczos iteration: 431
alpha(00000431)= 0.000000
beta (00000431)= 19.616646
gamma(00000431)= 19.616646
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 432
alpha(00000432)= 0.000000
beta (00000432)= 19.955413
gamma(00000432)= 19.955413
z1= 1 -0.212884481395096E-03 0.218710748398730E-09
Lanczos iteration: 433
alpha(00000433)= 0.000000
beta (00000433)= 19.709245
gamma(00000433)= 19.709245
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 434
alpha(00000434)= 0.000000
beta (00000434)= 19.755587
gamma(00000434)= 19.755587
z1= 1 0.221434030500803E-03 -0.232314134841000E-09
Lanczos iteration: 435
alpha(00000435)= 0.000000
beta (00000435)= 19.737638
gamma(00000435)= 19.737638
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 436
alpha(00000436)= 0.000000
beta (00000436)= 19.754497
gamma(00000436)= 19.754497
z1= 1 -0.228283335877595E-03 0.184304118018888E-09
Lanczos iteration: 437
alpha(00000437)= 0.000000
beta (00000437)= 19.720088
gamma(00000437)= 19.720088
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 438
alpha(00000438)= 0.000000
beta (00000438)= 19.781609
gamma(00000438)= 19.781609
z1= 1 0.236962153425207E-03 -0.635788894165942E-10
Lanczos iteration: 439
alpha(00000439)= 0.000000
beta (00000439)= 19.700205
gamma(00000439)= 19.700205
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 440
alpha(00000440)= 0.000000
beta (00000440)= 19.855893
gamma(00000440)= 19.855893
z1= 1 -0.241349636297672E-03 -0.792720341576534E-11
Lanczos iteration: 441
alpha(00000441)= 0.000000
beta (00000441)= 19.729870
gamma(00000441)= 19.729870
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 442
alpha(00000442)= 0.000000
beta (00000442)= 19.807843
gamma(00000442)= 19.807843
z1= 1 0.248518894771696E-03 0.796187164594059E-10
Lanczos iteration: 443
alpha(00000443)= 0.000000
beta (00000443)= 19.722767
gamma(00000443)= 19.722767
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 444
alpha(00000444)= 0.000000
beta (00000444)= 19.782300
gamma(00000444)= 19.782300
z1= 1 -0.251951316686959E-03 -0.163272431238635E-09
Lanczos iteration: 445
alpha(00000445)= 0.000000
beta (00000445)= 19.640332
gamma(00000445)= 19.640332
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 446
alpha(00000446)= 0.000000
beta (00000446)= 19.836767
gamma(00000446)= 19.836767
z1= 1 0.256381737943439E-03 0.180431564041007E-09
Lanczos iteration: 447
alpha(00000447)= 0.000000
beta (00000447)= 19.562558
gamma(00000447)= 19.562558
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 448
alpha(00000448)= 0.000000
beta (00000448)= 19.836348
gamma(00000448)= 19.836348
z1= 1 -0.255101292363848E-03 -0.361155540424086E-09
Lanczos iteration: 449
alpha(00000449)= 0.000000
beta (00000449)= 19.742346
gamma(00000449)= 19.742346
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 450
alpha(00000450)= 0.000000
beta (00000450)= 19.820173
gamma(00000450)= 19.820173
z1= 1 0.259657684002707E-03 0.425631636702005E-09
Lanczos iteration: 451
alpha(00000451)= 0.000000
beta (00000451)= 19.818210
gamma(00000451)= 19.818210
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 452
alpha(00000452)= 0.000000
beta (00000452)= 19.828134
gamma(00000452)= 19.828134
z1= 1 -0.259534125694651E-03 -0.404998362877599E-09
Lanczos iteration: 453
alpha(00000453)= 0.000000
beta (00000453)= 19.729256
gamma(00000453)= 19.729256
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 454
alpha(00000454)= 0.000000
beta (00000454)= 19.918597
gamma(00000454)= 19.918597
z1= 1 0.262359140116386E-03 0.504945815139698E-09
Lanczos iteration: 455
alpha(00000455)= 0.000000
beta (00000455)= 19.486310
gamma(00000455)= 19.486310
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 456
alpha(00000456)= 0.000000
beta (00000456)= 19.914682
gamma(00000456)= 19.914682
z1= 1 -0.256909238455852E-03 -0.619788705089773E-09
Lanczos iteration: 457
alpha(00000457)= 0.000000
beta (00000457)= 19.561983
gamma(00000457)= 19.561983
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 458
alpha(00000458)= 0.000000
beta (00000458)= 19.900200
gamma(00000458)= 19.900200
z1= 1 0.258601352421357E-03 0.616855426436290E-09
Lanczos iteration: 459
alpha(00000459)= 0.000000
beta (00000459)= 19.640537
gamma(00000459)= 19.640537
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 460
alpha(00000460)= 0.000000
beta (00000460)= 19.954416
gamma(00000460)= 19.954416
z1= 1 -0.255114137360657E-03 -0.621779688202477E-09
Lanczos iteration: 461
alpha(00000461)= 0.000000
beta (00000461)= 19.746758
gamma(00000461)= 19.746758
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 462
alpha(00000462)= 0.000000
beta (00000462)= 19.840349
gamma(00000462)= 19.840349
z1= 1 0.260492922958613E-03 0.584303949997598E-09
Lanczos iteration: 463
alpha(00000463)= 0.000000
beta (00000463)= 19.647002
gamma(00000463)= 19.647002
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 464
alpha(00000464)= 0.000000
beta (00000464)= 19.907860
gamma(00000464)= 19.907860
z1= 1 -0.257726578881641E-03 -0.613553287499580E-09
Lanczos iteration: 465
alpha(00000465)= 0.000000
beta (00000465)= 19.727258
gamma(00000465)= 19.727258
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 466
alpha(00000466)= 0.000000
beta (00000466)= 19.805149
gamma(00000466)= 19.805149
z1= 1 0.262190055994343E-03 0.629824242306582E-09
Lanczos iteration: 467
alpha(00000467)= 0.000000
beta (00000467)= 19.779246
gamma(00000467)= 19.779246
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 468
alpha(00000468)= 0.000000
beta (00000468)= 19.785936
gamma(00000468)= 19.785936
z1= 1 -0.261471665641525E-03 -0.538869732909026E-09
Lanczos iteration: 469
alpha(00000469)= 0.000000
beta (00000469)= 19.827139
gamma(00000469)= 19.827139
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 470
alpha(00000470)= 0.000000
beta (00000470)= 19.882224
gamma(00000470)= 19.882224
z1= 1 0.264552667789379E-03 0.481979867412660E-09
Lanczos iteration: 471
alpha(00000471)= 0.000000
beta (00000471)= 19.732199
gamma(00000471)= 19.732199
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 472
alpha(00000472)= 0.000000
beta (00000472)= 19.787249
gamma(00000472)= 19.787249
z1= 1 -0.262955138642339E-03 -0.285843981259896E-09
Lanczos iteration: 473
alpha(00000473)= 0.000000
beta (00000473)= 19.654601
gamma(00000473)= 19.654601
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 474
alpha(00000474)= 0.000000
beta (00000474)= 19.795623
gamma(00000474)= 19.795623
z1= 1 0.264988047607023E-03 0.260886784073559E-09
Lanczos iteration: 475
alpha(00000475)= 0.000000
beta (00000475)= 19.658698
gamma(00000475)= 19.658698
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 476
alpha(00000476)= 0.000000
beta (00000476)= 19.768315
gamma(00000476)= 19.768315
z1= 1 -0.263602271731099E-03 -0.181961428866240E-09
Lanczos iteration: 477
alpha(00000477)= 0.000000
beta (00000477)= 19.841437
gamma(00000477)= 19.841437
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 478
alpha(00000478)= 0.000000
beta (00000478)= 19.871811
gamma(00000478)= 19.871811
z1= 1 0.266597001695804E-03 0.103847784719526E-09
Lanczos iteration: 479
alpha(00000479)= 0.000000
beta (00000479)= 19.726137
gamma(00000479)= 19.726137
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 480
alpha(00000480)= 0.000000
beta (00000480)= 20.047759
gamma(00000480)= 20.047759
z1= 1 -0.262138285035359E-03 -0.920042305099181E-10
Lanczos iteration: 481
alpha(00000481)= 0.000000
beta (00000481)= 19.716704
gamma(00000481)= 19.716704
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 482
alpha(00000482)= 0.000000
beta (00000482)= 19.916572
gamma(00000482)= 19.916572
z1= 1 0.261682815464674E-03 0.436178732563434E-10
Lanczos iteration: 483
alpha(00000483)= 0.000000
beta (00000483)= 19.727692
gamma(00000483)= 19.727692
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 484
alpha(00000484)= 0.000000
beta (00000484)= 19.875806
gamma(00000484)= 19.875806
z1= 1 -0.257874314304288E-03 0.478263697589509E-10
Lanczos iteration: 485
alpha(00000485)= 0.000000
beta (00000485)= 19.571999
gamma(00000485)= 19.571999
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 486
alpha(00000486)= 0.000000
beta (00000486)= 19.910748
gamma(00000486)= 19.910748
z1= 1 0.252235918007894E-03 -0.140093610379783E-09
Lanczos iteration: 487
alpha(00000487)= 0.000000
beta (00000487)= 19.619889
gamma(00000487)= 19.619889
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 488
alpha(00000488)= 0.000000
beta (00000488)= 19.932435
gamma(00000488)= 19.932435
z1= 1 -0.243727116706453E-03 0.290685820966787E-09
Lanczos iteration: 489
alpha(00000489)= 0.000000
beta (00000489)= 19.723076
gamma(00000489)= 19.723076
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 490
alpha(00000490)= 0.000000
beta (00000490)= 19.842700
gamma(00000490)= 19.842700
z1= 1 0.238203970273848E-03 -0.369272377597602E-09
Lanczos iteration: 491
alpha(00000491)= 0.000000
beta (00000491)= 19.692415
gamma(00000491)= 19.692415
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 492
alpha(00000492)= 0.000000
beta (00000492)= 19.919158
gamma(00000492)= 19.919158
z1= 1 -0.228276757973667E-03 0.443952384748370E-09
Lanczos iteration: 493
alpha(00000493)= 0.000000
beta (00000493)= 19.713947
gamma(00000493)= 19.713947
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 494
alpha(00000494)= 0.000000
beta (00000494)= 19.923884
gamma(00000494)= 19.923884
z1= 1 0.219341140034576E-03 -0.511659189348702E-09
Lanczos iteration: 495
alpha(00000495)= 0.000000
beta (00000495)= 19.741991
gamma(00000495)= 19.741991
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 496
alpha(00000496)= 0.000000
beta (00000496)= 19.766600
gamma(00000496)= 19.766600
z1= 1 -0.211147651489549E-03 0.464949162303541E-09
Lanczos iteration: 497
alpha(00000497)= 0.000000
beta (00000497)= 19.732254
gamma(00000497)= 19.732254
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 498
alpha(00000498)= 0.000000
beta (00000498)= 19.647808
gamma(00000498)= 19.647808
z1= 1 0.205931693989407E-03 -0.510699041425275E-09
Lanczos iteration: 499
alpha(00000499)= 0.000000
beta (00000499)= 19.558384
gamma(00000499)= 19.558384
z1= 1 0.000000000000000E+00 0.000000000000000E+00
Lanczos iteration: 500
alpha(00000500)= 0.000000
beta (00000500)= 19.793051
gamma(00000500)= 19.793051
z1= 1 -0.196480108482270E-03 0.537045980648429E-09
End of Lanczos iterations
Finished linear response calculation...
lr_eels_main : 68.31s CPU 69.39s WALL ( 1 calls)
lr_solve_e : 0.11s CPU 0.11s WALL ( 1 calls)
one_step : 66.69s CPU 67.70s WALL ( 500 calls)
lr_apply : 65.74s CPU 66.72s WALL ( 500 calls)
lr_apply_int : 62.03s CPU 62.77s WALL ( 250 calls)
lr_apply_no : 3.65s CPU 3.90s WALL ( 250 calls)
h_psi : 6.39s CPU 6.62s WALL ( 21566 calls)
lr_calc_dens : 6.78s CPU 7.09s WALL ( 250 calls)
incdrhoscf : 2.85s CPU 3.12s WALL ( 10000 calls)
lr_dv_setup : 0.00s CPU 0.00s WALL ( 1 calls)
dv_of_drho : 0.28s CPU 0.28s WALL ( 250 calls)
lr_dot : 0.04s CPU 0.04s WALL ( 750 calls)
ortho : 0.38s CPU 0.39s WALL ( 10040 calls)
US routines
s_psi : 0.25s CPU 0.26s WALL ( 51606 calls)
lr_apply_s : 0.77s CPU 0.80s WALL ( 500 calls)
addusdbec : 0.17s CPU 0.17s WALL ( 10000 calls)
lr_addusdden : 1.21s CPU 1.24s WALL ( 250 calls)
lr_addus_dvp : 0.00s CPU 0.00s WALL ( 40 calls)
lr_sm1_psiq : 0.94s CPU 0.93s WALL ( 20040 calls)
General routines
calbec : 0.76s CPU 0.86s WALL ( 81686 calls)
fft : 0.78s CPU 0.91s WALL ( 13531 calls)
ffts : 0.02s CPU 0.02s WALL ( 502 calls)
fftw : 10.45s CPU 10.82s WALL ( 471446 calls)
interpolate : 0.05s CPU 0.06s WALL ( 502 calls)
davcio : 0.13s CPU 0.22s WALL ( 50226 calls)
Parallel routines
EELS routines
lr_run_nscf : 1.00s CPU 1.05s WALL ( 1 calls)
lr_setup_nsc : 0.00s CPU 0.00s WALL ( 1 calls)
lr_calc_dens : 6.78s CPU 7.09s WALL ( 250 calls)
lr_dvpsi_eel : 0.11s CPU 0.11s WALL ( 40 calls)
lr_sym_eels : 2.39s CPU 2.38s WALL ( 250 calls)
lr_psym_eels : 2.43s CPU 2.42s WALL ( 250 calls)
lr_smallgq : 0.00s CPU 0.00s WALL ( 1 calls)
lr_summary : 0.00s CPU 0.00s WALL ( 1 calls)
turboEELS : 1m 8.31s CPU 1m 9.39s WALL
This run was terminated on: 12:41:26 6Sep2018
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=
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