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Program turboMAGNON v.7.1 starts on 16Nov2022 at 12:18:16
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);
"P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
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 & OpenMP), running on 4 processor cores
Number of MPI processes: 4
Threads/MPI process: 1
MPI processes distributed on 1 nodes
R & G space division: proc/nbgrp/npool/nimage = 4
213110 MiB available memory on the printing compute node when the environment starts
Reading xml data from directory:
./out/Femag.save/
IMPORTANT: XC functional enforced from input :
Exchange-correlation= PZ
( 1 1 0 0 0 0 0)
Any further DFT definition will be discarded
Please, verify this is what you really want
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 32 32 13 239 239 62
Max 33 33 14 242 242 63
Sum 129 129 55 959 959 249
Using Slab Decomposition
Check: negative core charge= -0.000043
Reading collected, re-writing distributed wavefunctions
Subspace diagonalization in iterative solution of the eigenvalue problem:
a serial algorithm will be used
--------------------------------------------------------------------------------------------------
Please cite this project as:
T. Gorni, I. Timrov, S. Baroni, Eur. Phys. J. B 91, 249 (2018).
T. Gorni, O. Baseggio, P. Delugas, S. Baroni, I. Timrov, Comput. Phys. Commun. 280, 108500 (2022).
--------------------------------------------------------------------------------------------------
Using the TDDFT approximation.
Using the non-Hermitian Lanczos algorithm.
---------------------------- NSCF calculation ----------------------------
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 32 32 13 239 239 62
Max 33 33 14 242 242 63
Sum 129 129 55 959 959 249
Using Slab Decomposition
bravais-lattice index = 3
lattice parameter (alat) = 5.4060 a.u.
unit-cell volume = 78.9947 (a.u.)^3
number of atoms/cell = 1
number of atomic types = 1
number of electrons = 8.00
number of Kohn-Sham states= 16
kinetic-energy cutoff = 20.0000 Ry
charge density cutoff = 80.0000 Ry
Exchange-correlation= PZ
( 1 1 0 0 0 0 0)
Noncollinear calculation without spin-orbit
GPU acceleration is ACTIVE.
celldm(1)= 5.406000 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 0.500000 0.500000 )
a(2) = ( -0.500000 0.500000 0.500000 )
a(3) = ( -0.500000 -0.500000 0.500000 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 0.000000 1.000000 )
b(2) = ( -1.000000 1.000000 0.000000 )
b(3) = ( 0.000000 -1.000000 1.000000 )
PseudoPot. # 1 for Fe read from file:
/m100_work/Sis22_baroni_0/obaseggi/q-e-openacc/test-suite/..//pseudo/Fe.pz-n-nc.UPF
MD5 check sum: b53d05d746dd35482e835e46ea0c6b54
Pseudo is Norm-conserving + core correction, Zval = 8.0
Generated using "atomic" code by A. Dal Corso v.5.0.99 svn rev. 10869
Using radial grid of 1191 points, 2 beta functions with:
l(1) = 1
l(2) = 2
atomic species valence mass pseudopotential
Fe 8.00 55.85000 Fe( 1.00)
No symmetry found
Cartesian axes
site n. atom positions (alat units)
1 Fe tau( 1) = ( 0.0000000 0.0000000 0.0000000 )
number of k points= 84 Gaussian smearing, width (Ry)= 0.0200
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0185185
k( 2) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0000000
k( 3) = ( -0.1000000 -0.1000000 0.0000000), wk = 0.0000000
k( 4) = ( 0.0000000 0.0000000 -0.0000000), wk = 0.0185185
k( 5) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0000000
k( 6) = ( -0.1000000 -0.1000000 -0.0000000), wk = 0.0000000
k( 7) = ( 0.0000000 -0.3333333 0.3333333), wk = 0.0370370
k( 8) = ( 0.1000000 -0.2333333 0.3333333), wk = 0.0000000
k( 9) = ( -0.1000000 -0.4333333 0.3333333), wk = 0.0000000
k( 10) = ( 0.0000000 0.3333333 -0.3333333), wk = 0.0370370
k( 11) = ( 0.1000000 0.4333333 -0.3333333), wk = 0.0000000
k( 12) = ( -0.1000000 0.2333333 -0.3333333), wk = 0.0000000
k( 13) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0370370
k( 14) = ( -0.2333333 0.4333333 0.0000000), wk = 0.0000000
k( 15) = ( -0.4333333 0.2333333 0.0000000), wk = 0.0000000
k( 16) = ( 0.3333333 -0.3333333 -0.0000000), wk = 0.0370370
k( 17) = ( 0.4333333 -0.2333333 0.0000000), wk = 0.0000000
k( 18) = ( 0.2333333 -0.4333333 -0.0000000), wk = 0.0000000
k( 19) = ( -0.3333333 0.0000000 0.3333333), wk = 0.0370370
k( 20) = ( -0.2333333 0.1000000 0.3333333), wk = 0.0000000
k( 21) = ( -0.4333333 -0.1000000 0.3333333), wk = 0.0000000
k( 22) = ( 0.3333333 0.0000000 -0.3333333), wk = 0.0370370
k( 23) = ( 0.4333333 0.1000000 -0.3333333), wk = 0.0000000
k( 24) = ( 0.2333333 -0.1000000 -0.3333333), wk = 0.0000000
k( 25) = ( -0.3333333 0.6666667 -0.3333333), wk = 0.0370370
k( 26) = ( -0.2333333 0.7666667 -0.3333333), wk = 0.0000000
k( 27) = ( -0.4333333 0.5666667 -0.3333333), wk = 0.0000000
k( 28) = ( 0.3333333 -0.6666667 0.3333333), wk = 0.0370370
k( 29) = ( 0.4333333 -0.5666667 0.3333333), wk = 0.0000000
k( 30) = ( 0.2333333 -0.7666667 0.3333333), wk = 0.0000000
k( 31) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0370370
k( 32) = ( 0.4333333 0.1000000 0.3333333), wk = 0.0000000
k( 33) = ( 0.2333333 -0.1000000 0.3333333), wk = 0.0000000
k( 34) = ( -0.3333333 0.0000000 -0.3333333), wk = 0.0370370
k( 35) = ( -0.2333333 0.1000000 -0.3333333), wk = 0.0000000
k( 36) = ( -0.4333333 -0.1000000 -0.3333333), wk = 0.0000000
k( 37) = ( 0.3333333 -0.3333333 0.6666667), wk = 0.0370370
k( 38) = ( 0.4333333 -0.2333333 0.6666667), wk = 0.0000000
k( 39) = ( 0.2333333 -0.4333333 0.6666667), wk = 0.0000000
k( 40) = ( -0.3333333 0.3333333 -0.6666667), wk = 0.0370370
k( 41) = ( -0.2333333 0.4333333 -0.6666667), wk = 0.0000000
k( 42) = ( -0.4333333 0.2333333 -0.6666667), wk = 0.0000000
k( 43) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0370370
k( 44) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0000000
k( 45) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0000000
k( 46) = ( -0.3333333 -0.3333333 0.0000000), wk = 0.0370370
k( 47) = ( -0.2333333 -0.2333333 0.0000000), wk = 0.0000000
k( 48) = ( -0.4333333 -0.4333333 0.0000000), wk = 0.0000000
k( 49) = ( 0.0000000 0.3333333 0.3333333), wk = 0.0370370
k( 50) = ( 0.1000000 0.4333333 0.3333333), wk = 0.0000000
k( 51) = ( -0.1000000 0.2333333 0.3333333), wk = 0.0000000
k( 52) = ( 0.0000000 -0.3333333 -0.3333333), wk = 0.0370370
k( 53) = ( 0.1000000 -0.2333333 -0.3333333), wk = 0.0000000
k( 54) = ( -0.1000000 -0.4333333 -0.3333333), wk = 0.0000000
k( 55) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0370370
k( 56) = ( 0.1000000 0.1000000 0.6666667), wk = 0.0000000
k( 57) = ( -0.1000000 -0.1000000 0.6666667), wk = 0.0000000
k( 58) = ( 0.0000000 0.0000000 -0.6666667), wk = 0.0370370
k( 59) = ( 0.1000000 0.1000000 -0.6666667), wk = 0.0000000
k( 60) = ( -0.1000000 -0.1000000 -0.6666667), wk = 0.0000000
k( 61) = ( 0.0000000 0.6666667 -0.0000000), wk = 0.0370370
k( 62) = ( 0.1000000 0.7666667 -0.0000000), wk = 0.0000000
k( 63) = ( -0.1000000 0.5666667 -0.0000000), wk = 0.0000000
k( 64) = ( 0.0000000 -0.6666667 0.0000000), wk = 0.0370370
k( 65) = ( 0.1000000 -0.5666667 0.0000000), wk = 0.0000000
k( 66) = ( -0.1000000 -0.7666667 0.0000000), wk = 0.0000000
k( 67) = ( 0.6666667 -0.3333333 0.3333333), wk = 0.0370370
k( 68) = ( 0.7666667 -0.2333333 0.3333333), wk = 0.0000000
k( 69) = ( 0.5666667 -0.4333333 0.3333333), wk = 0.0000000
k( 70) = ( -0.6666667 0.3333333 -0.3333333), wk = 0.0370370
k( 71) = ( -0.5666667 0.4333333 -0.3333333), wk = 0.0000000
k( 72) = ( -0.7666667 0.2333333 -0.3333333), wk = 0.0000000
k( 73) = ( 0.6666667 -0.6666667 0.6666667), wk = 0.0370370
k( 74) = ( 0.7666667 -0.5666667 0.6666667), wk = 0.0000000
k( 75) = ( 0.5666667 -0.7666667 0.6666667), wk = 0.0000000
k( 76) = ( -0.6666667 0.6666667 -0.6666667), wk = 0.0370370
k( 77) = ( -0.5666667 0.7666667 -0.6666667), wk = 0.0000000
k( 78) = ( -0.7666667 0.5666667 -0.6666667), wk = 0.0000000
k( 79) = ( 0.6666667 0.0000000 -0.0000000), wk = 0.0370370
k( 80) = ( 0.7666667 0.1000000 -0.0000000), wk = 0.0000000
k( 81) = ( 0.5666667 -0.1000000 -0.0000000), wk = 0.0000000
k( 82) = ( -0.6666667 0.0000000 0.0000000), wk = 0.0370370
k( 83) = ( -0.5666667 0.1000000 0.0000000), wk = 0.0000000
k( 84) = ( -0.7666667 -0.1000000 0.0000000), wk = 0.0000000
Dense grid: 959 G-vectors FFT dimensions: ( 15, 15, 15)
Estimated max dynamical RAM per process > 0.64 MB
Estimated total dynamical RAM > 2.54 MB
Check: negative core charge= -0.000043
The potential is recalculated from file :
./out/tmp_magnons/Femag.save/charge-density
Starting wfcs are 18 atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
ethr = 1.00E-11, avg # of iterations = 13.0
total cpu time spent up to now is -1.0 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 135 PWs) bands (ev):
5.4089 5.4089 14.6269 14.6269 14.6269 14.6269 14.6269 14.6269
22.6631 22.6631 22.6631 22.6631 42.4447 42.4447 42.4447 42.4447
k = 0.1000 0.1000 0.0000 ( 127 PWs) bands (ev):
5.8128 5.8128 15.2587 15.2587 18.0678 18.0678 18.5851 18.5851
23.4337 23.4337 24.3974 24.3974 39.4410 39.4410 40.8308 40.8308
k =-0.1000-0.1000 0.0000 ( 127 PWs) bands (ev):
5.8128 5.8128 15.2587 15.2587 18.0678 18.0678 18.5851 18.5851
23.4337 23.4337 24.3974 24.3974 39.4410 39.4410 40.8308 40.8308
k = 0.0000 0.0000-0.0000 ( 135 PWs) bands (ev):
5.4089 5.4089 14.6269 14.6269 14.6269 14.6269 14.6269 14.6269
22.6631 22.6631 22.6631 22.6631 42.4447 42.4447 42.4447 42.4447
k = 0.1000 0.1000 0.0000 ( 127 PWs) bands (ev):
5.8128 5.8128 15.2587 15.2587 18.0678 18.0678 18.5851 18.5851
23.4337 23.4337 24.3974 24.3974 39.4410 39.4410 40.8308 40.8308
k =-0.1000-0.1000-0.0000 ( 127 PWs) bands (ev):
5.8128 5.8128 15.2587 15.2587 18.0678 18.0678 18.5851 18.5851
23.4337 23.4337 24.3974 24.3974 39.4410 39.4410 40.8308 40.8308
k = 0.0000-0.3333 0.3333 ( 112 PWs) bands (ev):
9.5721 9.5721 17.9378 17.9378 19.5659 19.5659 24.5403 24.5403
26.1360 26.1360 26.4852 26.4852 29.8050 29.8050 35.0434 35.0434
k = 0.1000-0.2333 0.3333 ( 118 PWs) bands (ev):
8.7572 8.7572 17.9430 17.9430 18.2658 18.2658 22.3994 22.3994
24.3847 24.3847 25.5123 25.5123 30.6769 30.6769 35.4284 35.4284
k =-0.1000-0.4333 0.3333 ( 119 PWs) bands (ev):
10.9407 10.9407 16.6558 16.6558 17.6762 17.6762 22.3288 22.3288
23.8167 23.8167 26.4543 26.4543 27.5313 27.5313 33.3856 33.3856
k = 0.0000 0.3333-0.3333 ( 112 PWs) bands (ev):
9.5721 9.5721 17.9378 17.9378 19.5659 19.5659 24.5403 24.5403
26.1360 26.1360 26.4852 26.4852 29.8050 29.8050 35.0434 35.0434
k = 0.1000 0.4333-0.3333 ( 119 PWs) bands (ev):
10.9407 10.9407 16.6558 16.6558 17.6762 17.6762 22.3288 22.3288
23.8167 23.8167 26.4543 26.4543 27.5313 27.5313 33.3856 33.3856
k =-0.1000 0.2333-0.3333 ( 118 PWs) bands (ev):
8.7572 8.7572 17.9430 17.9430 18.2658 18.2658 22.3994 22.3994
24.3847 24.3847 25.5123 25.5123 30.6769 30.6769 35.4284 35.4284
k =-0.3333 0.3333 0.0000 ( 112 PWs) bands (ev):
9.5721 9.5721 17.9378 17.9378 19.5659 19.5659 24.5403 24.5403
26.1360 26.1360 26.4852 26.4852 29.8050 29.8050 35.0434 35.0434
k =-0.2333 0.4333 0.0000 ( 120 PWs) bands (ev):
9.8770 9.8771 17.3856 17.3856 17.6452 17.6452 21.3610 21.3610
23.4002 23.4002 24.9984 24.9984 29.5933 29.5933 35.1191 35.1191
k =-0.4333 0.2333 0.0000 ( 120 PWs) bands (ev):
9.8770 9.8771 17.3856 17.3856 17.6452 17.6452 21.3610 21.3610
23.4002 23.4002 24.9984 24.9984 29.5933 29.5933 35.1191 35.1191
k = 0.3333-0.3333-0.0000 ( 112 PWs) bands (ev):
9.5721 9.5721 17.9378 17.9378 19.5659 19.5659 24.5403 24.5403
26.1360 26.1360 26.4852 26.4852 29.8050 29.8050 35.0434 35.0434
k = 0.4333-0.2333 0.0000 ( 120 PWs) bands (ev):
9.8770 9.8771 17.3856 17.3856 17.6452 17.6452 21.3610 21.3610
23.4002 23.4002 24.9984 24.9984 29.5933 29.5933 35.1191 35.1191
k = 0.2333-0.4333-0.0000 ( 120 PWs) bands (ev):
9.8770 9.8771 17.3856 17.3856 17.6452 17.6452 21.3610 21.3610
23.4002 23.4002 24.9984 24.9984 29.5933 29.5933 35.1191 35.1191
k =-0.3333 0.0000 0.3333 ( 112 PWs) bands (ev):
9.5721 9.5721 17.9378 17.9378 19.5659 19.5659 24.5403 24.5403
26.1360 26.1360 26.4852 26.4852 29.8050 29.8050 35.0434 35.0434
k =-0.2333 0.1000 0.3333 ( 118 PWs) bands (ev):
8.7572 8.7572 17.9430 17.9430 18.2658 18.2658 22.3994 22.3994
24.3847 24.3847 25.5123 25.5123 30.6769 30.6769 35.4284 35.4284
k =-0.4333-0.1000 0.3333 ( 119 PWs) bands (ev):
10.9407 10.9407 16.6558 16.6558 17.6762 17.6762 22.3288 22.3288
23.8167 23.8167 26.4543 26.4543 27.5313 27.5313 33.3856 33.3856
k = 0.3333 0.0000-0.3333 ( 112 PWs) bands (ev):
9.5721 9.5721 17.9378 17.9378 19.5659 19.5659 24.5403 24.5403
26.1360 26.1360 26.4852 26.4852 29.8050 29.8050 35.0434 35.0434
k = 0.4333 0.1000-0.3333 ( 119 PWs) bands (ev):
10.9407 10.9407 16.6558 16.6558 17.6762 17.6762 22.3288 22.3288
23.8167 23.8167 26.4543 26.4543 27.5313 27.5313 33.3856 33.3856
k = 0.2333-0.1000-0.3333 ( 118 PWs) bands (ev):
8.7572 8.7572 17.9430 17.9430 18.2658 18.2658 22.3994 22.3994
24.3847 24.3847 25.5123 25.5123 30.6769 30.6769 35.4284 35.4284
k =-0.3333 0.6667-0.3333 ( 122 PWs) bands (ev):
15.1923 15.1923 15.5773 15.5773 15.5773 15.5773 21.9215 21.9215
21.9215 21.9215 23.0555 23.0556 28.9268 28.9268 28.9268 28.9268
k =-0.2333 0.7667-0.3333 ( 117 PWs) bands (ev):
14.4042 14.4042 16.2228 16.2228 16.9815 16.9815 23.1722 23.1722
23.3311 23.3311 25.1578 25.1578 27.9271 27.9271 29.7619 29.7619
k =-0.4333 0.5667-0.3333 ( 123 PWs) bands (ev):
15.0477 15.0477 15.2116 15.2116 16.1350 16.1350 21.3558 21.3558
22.0674 22.0674 23.3875 23.3875 28.1436 28.1436 28.9510 28.9510
k = 0.3333-0.6667 0.3333 ( 122 PWs) bands (ev):
15.1923 15.1923 15.5773 15.5773 15.5773 15.5773 21.9215 21.9215
21.9215 21.9215 23.0555 23.0556 28.9268 28.9268 28.9268 28.9268
k = 0.4333-0.5667 0.3333 ( 123 PWs) bands (ev):
15.0477 15.0477 15.2116 15.2116 16.1350 16.1350 21.3558 21.3558
22.0674 22.0674 23.3875 23.3875 28.1436 28.1436 28.9510 28.9510
k = 0.2333-0.7667 0.3333 ( 117 PWs) bands (ev):
14.4042 14.4042 16.2228 16.2228 16.9815 16.9815 23.1722 23.1722
23.3311 23.3311 25.1578 25.1578 27.9271 27.9271 29.7619 29.7619
k = 0.3333 0.0000 0.3333 ( 112 PWs) bands (ev):
9.5721 9.5721 17.9378 17.9378 19.5659 19.5659 24.5403 24.5403
26.1360 26.1360 26.4852 26.4852 29.8050 29.8050 35.0434 35.0434
k = 0.4333 0.1000 0.3333 ( 119 PWs) bands (ev):
10.9407 10.9407 16.6558 16.6558 17.6762 17.6762 22.3288 22.3288
23.8167 23.8167 26.4543 26.4543 27.5313 27.5313 33.3856 33.3856
k = 0.2333-0.1000 0.3333 ( 118 PWs) bands (ev):
8.7572 8.7572 17.9430 17.9430 18.2658 18.2658 22.3994 22.3994
24.3847 24.3847 25.5123 25.5123 30.6769 30.6769 35.4284 35.4284
k =-0.3333 0.0000-0.3333 ( 112 PWs) bands (ev):
9.5721 9.5721 17.9378 17.9378 19.5659 19.5659 24.5403 24.5403
26.1360 26.1360 26.4852 26.4852 29.8050 29.8050 35.0434 35.0434
k =-0.2333 0.1000-0.3333 ( 118 PWs) bands (ev):
8.7572 8.7572 17.9430 17.9430 18.2658 18.2658 22.3994 22.3994
24.3847 24.3847 25.5123 25.5123 30.6769 30.6769 35.4284 35.4284
k =-0.4333-0.1000-0.3333 ( 119 PWs) bands (ev):
10.9407 10.9407 16.6558 16.6558 17.6762 17.6762 22.3288 22.3288
23.8167 23.8167 26.4543 26.4543 27.5313 27.5313 33.3856 33.3856
k = 0.3333-0.3333 0.6667 ( 122 PWs) bands (ev):
15.1923 15.1923 15.5773 15.5773 15.5773 15.5773 21.9215 21.9215
21.9215 21.9215 23.0555 23.0556 28.9268 28.9268 28.9268 28.9268
k = 0.4333-0.2333 0.6667 ( 122 PWs) bands (ev):
13.2990 13.2990 15.8547 15.8547 16.7540 16.7540 21.4987 21.4987
22.2061 22.2061 24.9815 24.9815 27.2509 27.2509 29.8317 29.8317
k = 0.2333-0.4333 0.6667 ( 122 PWs) bands (ev):
13.2990 13.2990 15.8547 15.8547 16.7540 16.7540 21.4987 21.4987
22.2061 22.2061 24.9815 24.9815 27.2509 27.2509 29.8317 29.8317
k =-0.3333 0.3333-0.6667 ( 122 PWs) bands (ev):
15.1923 15.1923 15.5773 15.5773 15.5773 15.5773 21.9215 21.9215
21.9215 21.9215 23.0555 23.0556 28.9268 28.9268 28.9268 28.9268
k =-0.2333 0.4333-0.6667 ( 122 PWs) bands (ev):
13.2990 13.2990 15.8547 15.8547 16.7540 16.7540 21.4987 21.4987
22.2061 22.2061 24.9815 24.9815 27.2509 27.2509 29.8317 29.8317
k =-0.4333 0.2333-0.6667 ( 122 PWs) bands (ev):
13.2990 13.2990 15.8547 15.8547 16.7540 16.7540 21.4987 21.4987
22.2061 22.2061 24.9815 24.9815 27.2509 27.2509 29.8317 29.8317
k = 0.3333 0.3333-0.0000 ( 112 PWs) bands (ev):
9.5721 9.5721 17.9378 17.9378 19.5659 19.5659 24.5403 24.5403
26.1360 26.1360 26.4852 26.4852 29.8050 29.8050 35.0434 35.0434
k = 0.4333 0.4333-0.0000 ( 116 PWs) bands (ev):
11.8739 11.8739 15.6018 15.6018 18.8028 18.8028 23.6488 23.6488
23.8955 23.8955 27.5211 27.5211 27.7472 27.7472 32.9091 32.9091
k = 0.2333 0.2333-0.0000 ( 121 PWs) bands (ev):
7.5345 7.5345 17.2635 17.2635 18.6349 18.6349 22.3211 22.3211
23.0946 23.0946 24.3139 24.3139 33.0442 33.0442 37.2372 37.2372
k =-0.3333-0.3333 0.0000 ( 112 PWs) bands (ev):
9.5721 9.5721 17.9378 17.9378 19.5659 19.5659 24.5403 24.5403
26.1360 26.1360 26.4852 26.4852 29.8050 29.8050 35.0434 35.0434
k =-0.2333-0.2333 0.0000 ( 121 PWs) bands (ev):
7.5345 7.5345 17.2635 17.2635 18.6349 18.6349 22.3211 22.3211
23.0946 23.0946 24.3139 24.3139 33.0442 33.0442 37.2372 37.2372
k =-0.4333-0.4333 0.0000 ( 116 PWs) bands (ev):
11.8739 11.8739 15.6018 15.6018 18.8028 18.8028 23.6488 23.6488
23.8955 23.8955 27.5211 27.5211 27.7472 27.7472 32.9091 32.9091
k = 0.0000 0.3333 0.3333 ( 112 PWs) bands (ev):
9.5721 9.5721 17.9378 17.9378 19.5659 19.5659 24.5403 24.5403
26.1360 26.1360 26.4852 26.4852 29.8050 29.8050 35.0434 35.0434
k = 0.1000 0.4333 0.3333 ( 119 PWs) bands (ev):
10.9407 10.9407 16.6558 16.6558 17.6762 17.6762 22.3288 22.3288
23.8167 23.8167 26.4543 26.4543 27.5313 27.5313 33.3856 33.3856
k =-0.1000 0.2333 0.3333 ( 118 PWs) bands (ev):
8.7572 8.7572 17.9430 17.9430 18.2658 18.2658 22.3994 22.3994
24.3847 24.3847 25.5123 25.5123 30.6769 30.6769 35.4284 35.4284
k = 0.0000-0.3333-0.3333 ( 112 PWs) bands (ev):
9.5721 9.5721 17.9378 17.9378 19.5659 19.5659 24.5403 24.5403
26.1360 26.1360 26.4852 26.4852 29.8050 29.8050 35.0434 35.0434
k = 0.1000-0.2333-0.3333 ( 118 PWs) bands (ev):
8.7572 8.7572 17.9430 17.9430 18.2658 18.2658 22.3994 22.3994
24.3847 24.3847 25.5123 25.5123 30.6769 30.6769 35.4284 35.4284
k =-0.1000-0.4333-0.3333 ( 119 PWs) bands (ev):
10.9407 10.9407 16.6558 16.6558 17.6762 17.6762 22.3288 22.3288
23.8167 23.8167 26.4543 26.4543 27.5313 27.5313 33.3856 33.3856
k = 0.0000 0.0000 0.6667 ( 116 PWs) bands (ev):
12.8611 12.8611 17.9225 17.9225 21.1378 21.1378 21.3837 21.3837
21.3837 21.3837 24.5039 24.5039 31.0909 31.0909 31.0909 31.0909
k = 0.1000 0.1000 0.6667 ( 119 PWs) bands (ev):
12.8505 12.8505 17.3621 17.3621 18.7898 18.7898 20.3941 20.3941
22.5482 22.5482 24.7828 24.7828 28.2573 28.2573 30.4934 30.4934
k =-0.1000-0.1000 0.6667 ( 119 PWs) bands (ev):
12.8505 12.8505 17.3621 17.3621 18.7898 18.7898 20.3941 20.3941
22.5482 22.5482 24.7828 24.7828 28.2573 28.2573 30.4934 30.4934
k = 0.0000 0.0000-0.6667 ( 116 PWs) bands (ev):
12.8611 12.8611 17.9225 17.9225 21.1378 21.1378 21.3837 21.3837
21.3837 21.3837 24.5039 24.5039 31.0909 31.0909 31.0909 31.0909
k = 0.1000 0.1000-0.6667 ( 119 PWs) bands (ev):
12.8505 12.8505 17.3621 17.3621 18.7898 18.7898 20.3941 20.3941
22.5482 22.5482 24.7828 24.7828 28.2573 28.2573 30.4934 30.4934
k =-0.1000-0.1000-0.6667 ( 119 PWs) bands (ev):
12.8505 12.8505 17.3621 17.3621 18.7898 18.7898 20.3941 20.3941
22.5482 22.5482 24.7828 24.7828 28.2573 28.2573 30.4934 30.4934
k = 0.0000 0.6667-0.0000 ( 116 PWs) bands (ev):
12.8611 12.8611 17.9225 17.9225 21.1378 21.1378 21.3837 21.3837
21.3837 21.3837 24.5039 24.5039 31.0909 31.0909 31.0909 31.0909
k = 0.1000 0.7667-0.0000 ( 115 PWs) bands (ev):
14.9814 14.9814 16.7998 16.7998 21.0278 21.0278 21.1966 21.1966
23.0328 23.0328 25.1786 25.1786 28.2822 28.2822 28.5306 28.5306
k =-0.1000 0.5667-0.0000 ( 115 PWs) bands (ev):
11.3215 11.3215 18.6776 18.6776 20.8281 20.8281 21.2476 21.2476
22.2619 22.2619 24.4623 24.4623 30.4405 30.4405 33.4038 33.4038
k = 0.0000-0.6667 0.0000 ( 116 PWs) bands (ev):
12.8611 12.8611 17.9225 17.9225 21.1378 21.1378 21.3837 21.3837
21.3837 21.3837 24.5039 24.5039 31.0909 31.0909 31.0909 31.0909
k = 0.1000-0.5667 0.0000 ( 115 PWs) bands (ev):
11.3215 11.3215 18.6776 18.6776 20.8281 20.8281 21.2476 21.2476
22.2619 22.2619 24.4623 24.4623 30.4405 30.4405 33.4038 33.4038
k =-0.1000-0.7667 0.0000 ( 115 PWs) bands (ev):
14.9814 14.9814 16.7998 16.7998 21.0278 21.0278 21.1966 21.1966
23.0328 23.0328 25.1786 25.1786 28.2822 28.2822 28.5306 28.5306
k = 0.6667-0.3333 0.3333 ( 122 PWs) bands (ev):
15.1923 15.1923 15.5773 15.5773 15.5773 15.5773 21.9215 21.9215
21.9215 21.9215 23.0555 23.0556 28.9268 28.9268 28.9268 28.9268
k = 0.7667-0.2333 0.3333 ( 117 PWs) bands (ev):
14.4042 14.4042 16.2228 16.2228 16.9815 16.9815 23.1722 23.1722
23.3311 23.3311 25.1578 25.1578 27.9271 27.9271 29.7619 29.7619
k = 0.5667-0.4333 0.3333 ( 123 PWs) bands (ev):
15.0477 15.0477 15.2116 15.2116 16.1350 16.1350 21.3558 21.3558
22.0674 22.0674 23.3875 23.3875 28.1436 28.1436 28.9510 28.9510
k =-0.6667 0.3333-0.3333 ( 122 PWs) bands (ev):
15.1923 15.1923 15.5773 15.5773 15.5773 15.5773 21.9215 21.9215
21.9215 21.9215 23.0555 23.0556 28.9268 28.9268 28.9268 28.9268
k =-0.5667 0.4333-0.3333 ( 123 PWs) bands (ev):
15.0477 15.0477 15.2116 15.2116 16.1350 16.1350 21.3558 21.3558
22.0674 22.0674 23.3875 23.3875 28.1436 28.1436 28.9510 28.9510
k =-0.7667 0.2333-0.3333 ( 117 PWs) bands (ev):
14.4042 14.4042 16.2228 16.2228 16.9815 16.9815 23.1722 23.1722
23.3311 23.3311 25.1578 25.1578 27.9271 27.9271 29.7619 29.7619
k = 0.6667-0.6667 0.6667 ( 122 PWs) bands (ev):
15.1923 15.1923 15.5773 15.5773 15.5773 15.5773 21.9215 21.9215
21.9215 21.9215 23.0555 23.0556 28.9268 28.9268 28.9268 28.9268
k = 0.7667-0.5667 0.6667 ( 122 PWs) bands (ev):
13.2990 13.2990 15.8547 15.8547 16.7540 16.7540 21.4987 21.4987
22.2061 22.2061 24.9815 24.9815 27.2509 27.2509 29.8317 29.8317
k = 0.5667-0.7667 0.6667 ( 122 PWs) bands (ev):
13.2990 13.2990 15.8547 15.8547 16.7540 16.7540 21.4987 21.4987
22.2061 22.2061 24.9815 24.9815 27.2509 27.2509 29.8317 29.8317
k =-0.6667 0.6667-0.6667 ( 122 PWs) bands (ev):
15.1923 15.1923 15.5773 15.5773 15.5773 15.5773 21.9215 21.9215
21.9215 21.9215 23.0555 23.0556 28.9268 28.9268 28.9268 28.9268
k =-0.5667 0.7667-0.6667 ( 122 PWs) bands (ev):
13.2990 13.2990 15.8547 15.8547 16.7540 16.7540 21.4987 21.4987
22.2061 22.2061 24.9815 24.9815 27.2509 27.2509 29.8317 29.8317
k =-0.7667 0.5667-0.6667 ( 122 PWs) bands (ev):
13.2990 13.2990 15.8547 15.8547 16.7540 16.7540 21.4987 21.4987
22.2061 22.2061 24.9815 24.9815 27.2509 27.2509 29.8317 29.8317
k = 0.6667 0.0000-0.0000 ( 116 PWs) bands (ev):
12.8611 12.8611 17.9225 17.9225 21.1378 21.1378 21.3837 21.3837
21.3837 21.3837 24.5039 24.5039 31.0909 31.0909 31.0909 31.0909
k = 0.7667 0.1000-0.0000 ( 115 PWs) bands (ev):
14.9814 14.9814 16.7998 16.7998 21.0278 21.0278 21.1966 21.1966
23.0328 23.0328 25.1786 25.1786 28.2822 28.2822 28.5306 28.5306
k = 0.5667-0.1000-0.0000 ( 115 PWs) bands (ev):
11.3215 11.3215 18.6776 18.6776 20.8281 20.8281 21.2476 21.2476
22.2619 22.2619 24.4623 24.4623 30.4405 30.4405 33.4038 33.4038
k =-0.6667 0.0000 0.0000 ( 116 PWs) bands (ev):
12.8611 12.8611 17.9225 17.9225 21.1378 21.1378 21.3837 21.3837
21.3837 21.3837 24.5039 24.5039 31.0909 31.0909 31.0909 31.0909
k =-0.5667 0.1000 0.0000 ( 115 PWs) bands (ev):
11.3215 11.3215 18.6776 18.6776 20.8281 20.8281 21.2476 21.2476
22.2619 22.2619 24.4623 24.4623 30.4405 30.4405 33.4038 33.4038
k =-0.7667-0.1000 0.0000 ( 115 PWs) bands (ev):
14.9814 14.9814 16.7998 16.7998 21.0278 21.0278 21.1966 21.1966
23.0328 23.0328 25.1786 25.1786 28.2822 28.2822 28.5306 28.5306
the Fermi energy is 22.1424 ev
(compare with: 22.1424 eV, computed in scf)
Writing all to output data dir ./out/tmp_magnons/Femag.save/
bravais-lattice index = 3
lattice parameter (a_0) = 5.4060 a.u.
unit-cell volume = 78.9947 (a.u.)^3
number of atoms/cell = 1
number of atomic types = 1
kinetic-energy cut-off = 20.0000 Ry
charge density cut-off = 80.0000 Ry
Exchange-correlation= PZ
( 1 1 0 0 0 0 0)
Noncollinear calculation without spin-orbit
celldm(1)= 5.40600 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 0.5000 0.5000 )
a(2) = ( -0.5000 0.5000 0.5000 )
a(3) = ( -0.5000 -0.5000 0.5000 )
reciprocal axes: (cart. coord. in units 2 pi/a_0)
b(1) = ( 1.0000 0.0000 1.0000 )
b(2) = ( -1.0000 1.0000 0.0000 )
b(3) = ( 0.0000 -1.0000 1.0000 )
Atoms inside the unit cell:
Cartesian axes
site n. atom mass positions (a_0 units)
1 Fe 55.8500 tau( 1) = ( 0.00000 0.00000 0.00000 )
No symmetry!
s frac. trans.
isym = 1 identity
Time Reversal 0
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 )
G cutoff = 59.2219 ( 242 G-vectors) FFT grid: ( 15, 15, 15)
number of k points= 84 Gaussian smearing, width (Ry)= 0.0200
cart. coord. in units 2pi/a_0
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0185185
k( 2) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0000000
k( 3) = ( -0.1000000 -0.1000000 0.0000000), wk = 0.0000000
k( 4) = ( 0.0000000 0.0000000 -0.0000000), wk = 0.0185185
k( 5) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0000000
k( 6) = ( -0.1000000 -0.1000000 -0.0000000), wk = 0.0000000
k( 7) = ( 0.0000000 -0.3333333 0.3333333), wk = 0.0370370
k( 8) = ( 0.1000000 -0.2333333 0.3333333), wk = 0.0000000
k( 9) = ( -0.1000000 -0.4333333 0.3333333), wk = 0.0000000
k( 10) = ( 0.0000000 0.3333333 -0.3333333), wk = 0.0370370
k( 11) = ( 0.1000000 0.4333333 -0.3333333), wk = 0.0000000
k( 12) = ( -0.1000000 0.2333333 -0.3333333), wk = 0.0000000
k( 13) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0370370
k( 14) = ( -0.2333333 0.4333333 0.0000000), wk = 0.0000000
k( 15) = ( -0.4333333 0.2333333 0.0000000), wk = 0.0000000
k( 16) = ( 0.3333333 -0.3333333 -0.0000000), wk = 0.0370370
k( 17) = ( 0.4333333 -0.2333333 0.0000000), wk = 0.0000000
k( 18) = ( 0.2333333 -0.4333333 -0.0000000), wk = 0.0000000
k( 19) = ( -0.3333333 0.0000000 0.3333333), wk = 0.0370370
k( 20) = ( -0.2333333 0.1000000 0.3333333), wk = 0.0000000
k( 21) = ( -0.4333333 -0.1000000 0.3333333), wk = 0.0000000
k( 22) = ( 0.3333333 0.0000000 -0.3333333), wk = 0.0370370
k( 23) = ( 0.4333333 0.1000000 -0.3333333), wk = 0.0000000
k( 24) = ( 0.2333333 -0.1000000 -0.3333333), wk = 0.0000000
k( 25) = ( -0.3333333 0.6666667 -0.3333333), wk = 0.0370370
k( 26) = ( -0.2333333 0.7666667 -0.3333333), wk = 0.0000000
k( 27) = ( -0.4333333 0.5666667 -0.3333333), wk = 0.0000000
k( 28) = ( 0.3333333 -0.6666667 0.3333333), wk = 0.0370370
k( 29) = ( 0.4333333 -0.5666667 0.3333333), wk = 0.0000000
k( 30) = ( 0.2333333 -0.7666667 0.3333333), wk = 0.0000000
k( 31) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0370370
k( 32) = ( 0.4333333 0.1000000 0.3333333), wk = 0.0000000
k( 33) = ( 0.2333333 -0.1000000 0.3333333), wk = 0.0000000
k( 34) = ( -0.3333333 0.0000000 -0.3333333), wk = 0.0370370
k( 35) = ( -0.2333333 0.1000000 -0.3333333), wk = 0.0000000
k( 36) = ( -0.4333333 -0.1000000 -0.3333333), wk = 0.0000000
k( 37) = ( 0.3333333 -0.3333333 0.6666667), wk = 0.0370370
k( 38) = ( 0.4333333 -0.2333333 0.6666667), wk = 0.0000000
k( 39) = ( 0.2333333 -0.4333333 0.6666667), wk = 0.0000000
k( 40) = ( -0.3333333 0.3333333 -0.6666667), wk = 0.0370370
k( 41) = ( -0.2333333 0.4333333 -0.6666667), wk = 0.0000000
k( 42) = ( -0.4333333 0.2333333 -0.6666667), wk = 0.0000000
k( 43) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0370370
k( 44) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0000000
k( 45) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0000000
k( 46) = ( -0.3333333 -0.3333333 0.0000000), wk = 0.0370370
k( 47) = ( -0.2333333 -0.2333333 0.0000000), wk = 0.0000000
k( 48) = ( -0.4333333 -0.4333333 0.0000000), wk = 0.0000000
k( 49) = ( 0.0000000 0.3333333 0.3333333), wk = 0.0370370
k( 50) = ( 0.1000000 0.4333333 0.3333333), wk = 0.0000000
k( 51) = ( -0.1000000 0.2333333 0.3333333), wk = 0.0000000
k( 52) = ( 0.0000000 -0.3333333 -0.3333333), wk = 0.0370370
k( 53) = ( 0.1000000 -0.2333333 -0.3333333), wk = 0.0000000
k( 54) = ( -0.1000000 -0.4333333 -0.3333333), wk = 0.0000000
k( 55) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0370370
k( 56) = ( 0.1000000 0.1000000 0.6666667), wk = 0.0000000
k( 57) = ( -0.1000000 -0.1000000 0.6666667), wk = 0.0000000
k( 58) = ( 0.0000000 0.0000000 -0.6666667), wk = 0.0370370
k( 59) = ( 0.1000000 0.1000000 -0.6666667), wk = 0.0000000
k( 60) = ( -0.1000000 -0.1000000 -0.6666667), wk = 0.0000000
k( 61) = ( 0.0000000 0.6666667 -0.0000000), wk = 0.0370370
k( 62) = ( 0.1000000 0.7666667 -0.0000000), wk = 0.0000000
k( 63) = ( -0.1000000 0.5666667 -0.0000000), wk = 0.0000000
k( 64) = ( 0.0000000 -0.6666667 0.0000000), wk = 0.0370370
k( 65) = ( 0.1000000 -0.5666667 0.0000000), wk = 0.0000000
k( 66) = ( -0.1000000 -0.7666667 0.0000000), wk = 0.0000000
k( 67) = ( 0.6666667 -0.3333333 0.3333333), wk = 0.0370370
k( 68) = ( 0.7666667 -0.2333333 0.3333333), wk = 0.0000000
k( 69) = ( 0.5666667 -0.4333333 0.3333333), wk = 0.0000000
k( 70) = ( -0.6666667 0.3333333 -0.3333333), wk = 0.0370370
k( 71) = ( -0.5666667 0.4333333 -0.3333333), wk = 0.0000000
k( 72) = ( -0.7666667 0.2333333 -0.3333333), wk = 0.0000000
k( 73) = ( 0.6666667 -0.6666667 0.6666667), wk = 0.0370370
k( 74) = ( 0.7666667 -0.5666667 0.6666667), wk = 0.0000000
k( 75) = ( 0.5666667 -0.7666667 0.6666667), wk = 0.0000000
k( 76) = ( -0.6666667 0.6666667 -0.6666667), wk = 0.0370370
k( 77) = ( -0.5666667 0.7666667 -0.6666667), wk = 0.0000000
k( 78) = ( -0.7666667 0.5666667 -0.6666667), wk = 0.0000000
k( 79) = ( 0.6666667 0.0000000 -0.0000000), wk = 0.0370370
k( 80) = ( 0.7666667 0.1000000 -0.0000000), wk = 0.0000000
k( 81) = ( 0.5666667 -0.1000000 -0.0000000), wk = 0.0000000
k( 82) = ( -0.6666667 0.0000000 0.0000000), wk = 0.0370370
k( 83) = ( -0.5666667 0.1000000 0.0000000), wk = 0.0000000
k( 84) = ( -0.7666667 -0.1000000 0.0000000), wk = 0.0000000
PseudoPot. # 1 for Fe read from file:
/m100_work/Sis22_baroni_0/obaseggi/q-e-openacc/test-suite/..//pseudo/Fe.pz-n-nc.UPF
MD5 check sum: b53d05d746dd35482e835e46ea0c6b54
Pseudo is Norm-conserving + core correction, Zval = 8.0
Generated using "atomic" code by A. Dal Corso v.5.0.99 svn rev. 10869
Using radial grid of 1191 points, 2 beta functions with:
l(1) = 1
l(2) = 2
magnon calculation, n_ipol = 1 n_op = 3
LANCZOS LINEAR-RESPONSE SPECTRUM CALCULATION
Number of Lanczos iterations = 150
Starting Lanczos loop 2
Lanczos iteration: 1
alpha(00000001)= 0.00000000000002 -0.00000000000000
beta (00000001)= 1.42587032859110
gamma(00000001)= 1.42587032859110 0.00000000000000
z1= 1 -0.696116028250818E-16 0.349280306057812E-05
z1= 2 -0.213295093393073E-14 0.129873497159693E-15
z1= 3 -0.273062296454306E-20 -0.430159295332900E-14
Lanczos iteration: 2
alpha(00000002)= -0.00000000000018 0.00000000000000
beta (00000002)= 2.61219834014572
gamma(00000002)= 2.61219834008440 -0.00001789886379
z1= 1 0.545945602527036E-16 -0.112351263275440E-13
z1= 2 -0.408141053425091E+00 -0.153834294034090E-17
z1= 3 -0.724402993742179E-17 0.359706900277782E-14
Lanczos iteration: 3
alpha(00000003)= 0.00000000000045 -0.00000000000000
beta (00000003)= 16.64677040576667
gamma(00000003)= 16.64677040575756 0.00001741699933
z1= 1 0.375605031350740E-11 -0.459227199738975E-06
z1= 2 -0.886126905901875E-15 -0.627096386322665E-16
z1= 3 0.352843393683536E-17 0.857230584870313E-14
Lanczos iteration: 4
alpha(00000004)= -0.00000000000069 0.00000000000000
beta (00000004)= 6.17697518875272
gamma(00000004)= 6.17697518861377 -0.00004143176968
z1= 1 -0.201583055011336E-15 0.174488516083843E-13
z1= 2 0.521889064459609E+00 -0.965238860268301E-06
z1= 3 0.323253497169381E-16 -0.129213486595068E-13
Lanczos iteration: 5
alpha(00000005)= 0.00000000000010 0.00000000000000
beta (00000005)= 8.75735117302512
gamma(00000005)= 8.75735117298049 0.00002795923122
z1= 1 -0.522089914747952E-11 0.300929396864462E-06
z1= 2 0.446961803506063E-13 0.239200860224973E-15
z1= 3 -0.857433581829811E-17 -0.874499273689224E-15
Lanczos iteration: 6
alpha(00000006)= 0.00000000000066 0.00000000000000
beta (00000006)= 9.65120134986976
gamma(00000006)= 9.65120134986581 -0.00000872394202
z1= 1 0.309782051076865E-16 -0.239120789141678E-15
z1= 2 -0.403235949971438E+00 0.231317469752852E-05
z1= 3 -0.241026601150846E-16 0.603832362122117E-14
Lanczos iteration: 7
alpha(00000007)= -0.00000000000122 -0.00000000000000
beta (00000007)= 9.62391992593785
gamma(00000007)= 9.62391992592539 0.00001548455770
z1= 1 0.589817901273131E-11 -0.280742241849787E-06
z1= 2 -0.215786318934902E-13 -0.800484218550716E-16
z1= 3 0.337380499945174E-17 -0.303064329923422E-14
Lanczos iteration: 8
alpha(00000008)= 0.00000000000044 -0.00000000000000
beta (00000008)= 10.12136049169795
gamma(00000008)= 10.12136049168572 0.00001573613491
z1= 1 -0.203649855107306E-15 0.210933565536128E-13
z1= 2 0.347369733113908E+00 -0.188287850058321E-05
z1= 3 0.281752964959915E-16 -0.946922533702326E-14
Lanczos iteration: 9
alpha(00000009)= -0.00000000000044 -0.00000000000000
beta (00000009)= 9.76649752673529
gamma(00000009)= 9.76649752635665 -0.00008600034189
z1= 1 -0.556937218955442E-11 0.335793851084547E-06
z1= 2 0.806389087719839E-14 0.105859749145564E-15
z1= 3 -0.378719393884691E-17 0.314044125481966E-14
Lanczos iteration: 10
alpha(00000010)= 0.00000000000061 0.00000000000000
beta (00000010)= 9.76769001370425
gamma(00000010)= 9.76769001337029 0.00008077126165
z1= 1 0.859069483958131E-16 -0.166825815585848E-13
z1= 2 -0.320741957139009E+00 -0.889770438636886E-06
z1= 3 -0.372242849386166E-16 0.123714779391573E-13
Lanczos iteration: 11
alpha(00000011)= -0.00000000000004 0.00000000000000
beta (00000011)= 9.37837441532717
gamma(00000011)= 9.37837441510068 -0.00006517826994
z1= 1 0.331914759239661E-11 -0.325388919455534E-06
z1= 2 0.117652266509900E-13 -0.178248812709362E-15
z1= 3 -0.340677524772084E-17 -0.119284663419403E-13
Lanczos iteration: 12
alpha(00000012)= 0.00000000000008 -0.00000000000001
beta (00000012)= 9.79890857740116
gamma(00000012)= 9.79890857690149 0.00009895646698
z1= 1 -0.668425197716094E-16 0.412181139913814E-14
z1= 2 0.287129556621038E+00 0.390428277496024E-05
z1= 3 0.232927733514423E-16 -0.200964088433673E-15
Lanczos iteration: 13
alpha(00000013)= -0.00000000000092 0.00000000000000
beta (00000013)= 9.90034536124681
gamma(00000013)= 9.90034536118146 -0.00003596994880
z1= 1 0.155990280571652E-12 0.333246897346207E-06
z1= 2 -0.125029559256318E-13 -0.185606703372029E-15
z1= 3 0.681867631135250E-17 0.147816781934660E-13
Lanczos iteration: 14
alpha(00000014)= 0.00000000000062 0.00000000000001
beta (00000014)= 9.66824175630263
gamma(00000014)= 9.66824175630028 -0.00000674438920
z1= 1 0.349747249285140E-16 -0.196679695099733E-13
z1= 2 -0.276234252683206E+00 -0.680469865242598E-05
z1= 3 -0.224033089688712E-16 0.556613101877042E-15
Lanczos iteration: 15
alpha(00000015)= -0.00000000000104 -0.00000000000000
beta (00000015)= 10.00599766833902
gamma(00000015)= 10.00599766818744 0.00005507594693
z1= 1 -0.386102534745095E-12 -0.334224858640361E-06
z1= 2 0.278659202917336E-13 -0.783011483948411E-16
z1= 3 -0.660100902799356E-17 -0.172272259849940E-13
Lanczos iteration: 16
alpha(00000016)= 0.00000000000092 -0.00000000000001
beta (00000016)= 9.88504085769151
gamma(00000016)= 9.88504085762718 0.00003566420711
z1= 1 0.210991473472963E-16 0.229705848526357E-14
z1= 2 0.267425365570434E+00 0.642276366959641E-05
z1= 3 0.294809345017464E-16 -0.412060608292798E-14
Lanczos iteration: 17
alpha(00000017)= 0.00000000000009 0.00000000000000
beta (00000017)= 9.86584590407615
gamma(00000017)= 9.86584590407307 -0.00000779765725
z1= 1 0.259880614192482E-11 0.307744741407685E-06
z1= 2 -0.541446770231657E-13 -0.255542099430450E-15
z1= 3 0.566943205002551E-17 0.141819140645883E-13
Lanczos iteration: 18
alpha(00000018)= -0.00000000000034 0.00000000000001
beta (00000018)= 9.58385323168819
gamma(00000018)= 9.58385323165151 0.00002651518833
z1= 1 -0.342340938778136E-16 0.740400308337635E-14
z1= 2 -0.262059021603375E+00 -0.612171941138946E-05
z1= 3 -0.330196726234184E-16 -0.526090358393773E-14
Lanczos iteration: 19
alpha(00000019)= -0.00000000000031 -0.00000000000000
beta (00000019)= 9.96115239459035
gamma(00000019)= 9.96115239456499 0.00002248146390
z1= 1 -0.352593890711243E-11 -0.305389855656368E-06
z1= 2 0.437721758253691E-13 0.157281716475054E-15
z1= 3 0.113790739606978E-17 -0.186483707952612E-13
Lanczos iteration: 20
alpha(00000020)= -0.00000000000003 0.00000000000000
beta (00000020)= 9.88648722272534
gamma(00000020)= 9.88648722173507 0.00013993090875
z1= 1 0.123074151933846E-15 -0.230651137295493E-14
z1= 2 0.253703033773374E+00 0.621531730155303E-05
z1= 3 0.303837399443739E-16 0.478014607407115E-14
Lanczos iteration: 21
alpha(00000021)= 0.00000000000041 0.00000000000000
beta (00000021)= 10.05207339984949
gamma(00000021)= 10.05207339984537 -0.00000910041710
z1= 1 0.857006074572768E-11 0.300323413788718E-06
z1= 2 -0.434423547482354E-13 -0.268822925879436E-15
z1= 3 0.269820803628396E-17 0.240423021443473E-13
Lanczos iteration: 22
alpha(00000022)= -0.00000000000040 -0.00000000000001
beta (00000022)= 9.38964550931024
gamma(00000022)= 9.38964550929849 0.00001485606234
z1= 1 -0.149955536608349E-16 0.114225577781124E-13
z1= 2 -0.262991369910626E+00 -0.685909392380730E-05
z1= 3 -0.491138216878805E-16 0.170210487871926E-14
Lanczos iteration: 23
alpha(00000023)= 0.00000000000013 0.00000000000001
beta (00000023)= 10.06588904453495
gamma(00000023)= 10.06588904392581 0.00011073809723
z1= 1 -0.930313221991830E-11 -0.259542690557435E-06
z1= 2 0.323433161221291E-13 0.380595335573750E-15
z1= 3 -0.549854220437798E-17 -0.116997330884525E-13
Lanczos iteration: 24
alpha(00000024)= -0.00000000000074 0.00000000000000
beta (00000024)= 9.53791970852055
gamma(00000024)= 9.53791970680234 0.00018104242808
z1= 1 -0.147031420055750E-16 -0.100258224709467E-13
z1= 2 0.267951736136765E+00 0.142703761364253E-05
z1= 3 0.525384247667561E-16 0.660326714398563E-14
Lanczos iteration: 25
alpha(00000025)= 0.00000000000037 -0.00000000000001
beta (00000025)= 9.94543229182033
gamma(00000025)= 9.94543229030797 0.00017344200759
z1= 1 0.125807985790561E-10 0.272048893637321E-06
z1= 2 -0.119810574222140E-13 -0.797286735349280E-16
z1= 3 0.996750451196972E-17 0.108284763624555E-13
Lanczos iteration: 26
alpha(00000026)= -0.00000000000097 0.00000000000001
beta (00000026)= 10.13253173315212
gamma(00000026)= 10.13253173051919 0.00023098995917
z1= 1 0.933952887498025E-16 0.167411996266666E-13
z1= 2 -0.257803936341744E+00 0.209187708409655E-05
z1= 3 -0.648115671494023E-16 -0.944480364096648E-14
Lanczos iteration: 27
alpha(00000027)= 0.00000000000118 0.00000000000001
beta (00000027)= 9.85827433744605
gamma(00000027)= 9.85827433484172 0.00022660159973
z1= 1 -0.218849608272672E-10 -0.271399600230792E-06
z1= 2 -0.121056322518326E-13 -0.204856331117939E-15
z1= 3 -0.418043799651292E-17 -0.154252482203185E-13
Lanczos iteration: 28
alpha(00000028)= -0.00000000000100 -0.00000000000000
beta (00000028)= 9.63324851760384
gamma(00000028)= 9.63324851093345 0.00035848992555
z1= 1 -0.979056928718174E-16 -0.295706655776412E-14
z1= 2 0.257641318372330E+00 -0.949576870900238E-05
z1= 3 0.501663820218147E-16 0.550864912113476E-14
Lanczos iteration: 29
alpha(00000029)= -0.00000000000003 0.00000000000000
beta (00000029)= 9.96780708059585
gamma(00000029)= 9.96780706746303 0.00051167440479
z1= 1 0.264013193651620E-10 0.254919878010530E-06
z1= 2 0.375735412835171E-13 -0.909607001652538E-16
z1= 3 0.976643415225853E-18 0.103681896420391E-13
Lanczos iteration: 30
alpha(00000030)= -0.00000000000040 -0.00000000000000
beta (00000030)= 9.99430379089373
gamma(00000030)= 9.99430377627907 0.00054048757412
z1= 1 0.800258332069040E-16 -0.254315882589062E-14
z1= 2 -0.251216841406846E+00 0.200855128270951E-04
z1= 3 -0.481620533104879E-16 -0.146499668520055E-13
Lanczos iteration: 31
alpha(00000031)= -0.00000000000020 0.00000000000001
beta (00000031)= 9.70225745847908
gamma(00000031)= 9.70225743236883 0.00071179827014
z1= 1 -0.460284921795498E-10 -0.270531881672937E-06
z1= 2 -0.500412157457969E-13 0.230934910434782E-15
z1= 3 0.553675739005634E-17 -0.235795229275035E-14
Lanczos iteration: 32
alpha(00000032)= -0.00000000000034 0.00000000000001
beta (00000032)= 9.88643510985632
gamma(00000032)= 9.88643504786667 0.00110711938538
z1= 1 -0.178364545203226E-15 -0.107328357898222E-13
z1= 2 0.242253251806526E+00 -0.387435531315703E-04
z1= 3 0.500748428111748E-16 0.153635734920561E-13
Lanczos iteration: 33
alpha(00000033)= 0.00000000000048 0.00000000000000
beta (00000033)= 9.85013320623756
gamma(00000033)= 9.85013310710799 0.00139745448002
z1= 1 0.743833777683243E-10 0.262448266090268E-06
z1= 2 0.589309146186573E-13 0.337592349653098E-15
z1= 3 -0.963714763028276E-17 0.241781624256005E-14
Lanczos iteration: 34
alpha(00000034)= 0.00000000000004 0.00000000000002
beta (00000034)= 9.86217238797940
gamma(00000034)= 9.86217223159199 0.00175631407793
z1= 1 0.924808604349599E-16 0.133709775022861E-13
z1= 2 -0.236547359187579E+00 0.716731378585828E-04
z1= 3 -0.493680601623419E-16 -0.148976438553997E-13
Lanczos iteration: 35
alpha(00000035)= -0.00000000000084 0.00000000000002
beta (00000035)= 9.88577673402872
gamma(00000035)= 9.88577645545558 0.00234687533180
z1= 1 -0.118108535580447E-09 -0.264803792369289E-06
z1= 2 -0.577484566242903E-13 -0.783757399028865E-15
z1= 3 0.100056571092101E-16 0.510245968695105E-14
Lanczos iteration: 36
alpha(00000036)= 0.00000000000062 -0.00000000000001
beta (00000036)= 10.43664322307446
gamma(00000036)= 10.43664308609796 0.00169090204070
z1= 1 -0.992028444211985E-16 -0.177245506683202E-13
z1= 2 0.220909353020460E+00 -0.118288832617685E-03
z1= 3 0.566618228609272E-16 0.164665661808274E-13
Lanczos iteration: 37
alpha(00000037)= 0.00000000000055 0.00000000000001
beta (00000037)= 9.84567398450357
gamma(00000037)= 9.84567394293373 0.00090474653660
z1= 1 0.177850695949654E-09 0.270139867551456E-06
z1= 2 0.478184928719844E-13 0.559918212530010E-15
z1= 3 -0.217026446757544E-16 -0.267106733357118E-14
Lanczos iteration: 38
alpha(00000038)= 0.00000000000094 -0.00000000000001
beta (00000038)= 10.29210729254324
gamma(00000038)= 10.29210729081096 0.00018883228813
z1= 1 0.139051228183369E-15 0.202342618571896E-13
z1= 2 -0.207271201506715E+00 0.130846251541105E-03
z1= 3 -0.512275881464406E-16 -0.122943639274909E-13
Lanczos iteration: 39
alpha(00000039)= 0.00000000000006 -0.00000000000001
beta (00000039)= 9.85788484079740
gamma(00000039)= 9.85788483514398 -0.00033385838268
z1= 1 -0.171779781628771E-09 -0.273329232176883E-06
z1= 2 -0.307464015185388E-13 -0.485540897941210E-15
z1= 3 0.130694246489633E-16 0.677286614561318E-15
Lanczos iteration: 40
alpha(00000040)= 0.00000000000087 -0.00000000000000
beta (00000040)= 10.10578971109678
gamma(00000040)= 10.10578969804655 -0.00051358139809
z1= 1 -0.912648486862253E-16 -0.158768397734432E-13
z1= 2 0.197320002115596E+00 -0.120025295282966E-03
z1= 3 0.405283812403688E-16 0.128529721239273E-13
Lanczos iteration: 41
alpha(00000041)= -0.00000000000086 -0.00000000000001
beta (00000041)= 9.85944223046963
gamma(00000041)= 9.85944220184888 -0.00075124512203
z1= 1 0.169808281810203E-09 0.288032726333397E-06
z1= 2 0.148381334346206E-13 0.391772431621138E-15
z1= 3 -0.258418559169712E-16 -0.117903036853435E-13
Lanczos iteration: 42
alpha(00000042)= 0.00000000000150 -0.00000000000001
beta (00000042)= 9.94122450184410
gamma(00000042)= 9.94122449204399 -0.00044141835598
z1= 1 0.150692561151579E-15 0.126197202644437E-13
z1= 2 -0.192257747239518E+00 0.102461619321377E-03
z1= 3 -0.443016881570119E-16 -0.140367676130999E-13
Lanczos iteration: 43
alpha(00000043)= -0.00000000000085 -0.00000000000000
beta (00000043)= 10.22085068586185
gamma(00000043)= 10.22085064362582 -0.00092918047564
z1= 1 -0.152910260099419E-09 -0.262780140265883E-06
z1= 2 0.132360756469746E-13 -0.104113584107354E-15
z1= 3 0.244882607942181E-16 0.611901422935846E-14
Lanczos iteration: 44
alpha(00000044)= -0.00000000000031 0.00000000000000
beta (00000044)= 9.84146769802280
gamma(00000044)= 9.84146760608839 -0.00134519107033
z1= 1 -0.220932900651540E-15 -0.522539368545683E-14
z1= 2 0.194834715549306E+00 -0.858175352940332E-04
z1= 3 0.398222273630537E-16 0.990670935629319E-14
Lanczos iteration: 45
alpha(00000045)= -0.00000000000068 -0.00000000000001
beta (00000045)= 10.08335877160152
gamma(00000045)= 10.08335869914465 -0.00120880822324
z1= 1 0.966788203334372E-10 0.257656340969720E-06
z1= 2 -0.696780822059470E-14 0.169957849080845E-15
z1= 3 -0.861044179038202E-17 -0.874577072251226E-14
Lanczos iteration: 46
alpha(00000046)= -0.00000000000071 -0.00000000000000
beta (00000046)= 9.69103322686035
gamma(00000046)= 9.69103318201567 -0.00093229959634
z1= 1 0.225169203588334E-15 0.129706087450415E-13
z1= 2 -0.199599928777056E+00 0.624252652653661E-04
z1= 3 -0.459887218712664E-16 -0.124068128001385E-13
Lanczos iteration: 47
alpha(00000047)= -0.00000000000083 0.00000000000000
beta (00000047)= 10.09199076635278
gamma(00000047)= 10.09199073776418 -0.00075962615386
z1= 1 -0.855280002493321E-10 -0.248675832704871E-06
z1= 2 -0.715970522886106E-14 -0.492852850301378E-15
z1= 3 0.143018968637067E-16 0.263854413418402E-13
Lanczos iteration: 48
alpha(00000048)= -0.00000000000072 -0.00000000000001
beta (00000048)= 9.71215426332601
gamma(00000048)= 9.71215423867923 -0.00069191528301
z1= 1 -0.158219891490922E-15 -0.103809918560599E-13
z1= 2 0.204190660520767E+00 -0.503334621607539E-04
z1= 3 0.433561231021299E-16 0.104721038989808E-13
Lanczos iteration: 49
alpha(00000049)= -0.00000000000088 0.00000000000001
beta (00000049)= 10.00868928255354
gamma(00000049)= 10.00868927247297 -0.00044920680608
z1= 1 0.524201388317119E-10 0.209707439771813E-06
z1= 2 0.206079185834096E-13 0.431716123133486E-15
z1= 3 -0.392093339213907E-18 -0.137766053527886E-13
Lanczos iteration: 50
alpha(00000050)= -0.00000000000101 0.00000000000000
beta (00000050)= 10.02209652895827
gamma(00000050)= 10.02209651805586 -0.00046747211863
z1= 1 0.809515806612488E-16 -0.715708959111994E-14
z1= 2 -0.199937072798270E+00 0.398642535951200E-04
z1= 3 -0.385123067477256E-16 -0.410890349215651E-14
Lanczos iteration: 51
alpha(00000051)= 0.00000000000065 -0.00000000000001
beta (00000051)= 10.15910479489807
gamma(00000051)= 10.15910476705084 -0.00075220060633
z1= 1 -0.408001080620018E-10 -0.217167640263326E-06
z1= 2 -0.390753713565804E-13 -0.235151224655472E-15
z1= 3 -0.159274018842581E-16 0.120442946233488E-13
Lanczos iteration: 52
alpha(00000052)= -0.00000000000074 0.00000000000001
beta (00000052)= 9.79769329647776
gamma(00000052)= 9.79769327420781 -0.00066059690030
z1= 1 -0.779079729060824E-16 0.123042377610412E-14
z1= 2 0.204985623907829E+00 -0.278030492358967E-04
z1= 3 0.476799353376380E-16 0.355730420257238E-14
Lanczos iteration: 53
alpha(00000053)= 0.00000000000099 -0.00000000000001
beta (00000053)= 10.16052271640550
gamma(00000053)= 10.16052269573437 -0.00064811959766
z1= 1 0.291945930301156E-10 0.206194832927624E-06
z1= 2 0.517136585832280E-13 0.436684858106749E-15
z1= 3 0.103705263010242E-16 -0.182805164516305E-13
Lanczos iteration: 54
alpha(00000054)= -0.00000000000023 -0.00000000000001
beta (00000054)= 9.58678200504273
gamma(00000054)= 9.58678199414489 -0.00045711099094
z1= 1 0.101601238063684E-16 0.183289120643179E-14
z1= 2 -0.213725937653241E+00 0.140266178860699E-04
z1= 3 -0.467745240280789E-16 0.139844270685586E-14
Lanczos iteration: 55
alpha(00000055)= 0.00000000000050 0.00000000000000
beta (00000055)= 10.08401778310945
gamma(00000055)= 10.08401777531663 -0.00039644139370
z1= 1 -0.147673710055567E-10 -0.183002143180403E-06
z1= 2 -0.520183668275415E-13 -0.257854112255928E-15
z1= 3 -0.154155550600092E-16 0.968382583137494E-15
Lanczos iteration: 56
alpha(00000056)= -0.00000000000051 -0.00000000000001
beta (00000056)= 9.70080283937895
gamma(00000056)= 9.70080283448475 -0.00030814839000
z1= 1 0.175027149364260E-16 -0.831054517737295E-15
z1= 2 0.219573817912842E+00 -0.692596480673339E-05
z1= 3 0.452363783448181E-16 -0.412944713405138E-14
Lanczos iteration: 57
alpha(00000057)= 0.00000000000156 -0.00000000000000
beta (00000057)= 10.04719527936399
gamma(00000057)= 10.04719527768360 -0.00018375658402
z1= 1 0.100939867025372E-10 0.189354074385962E-06
z1= 2 0.612924424756023E-13 0.146800008007582E-15
z1= 3 0.220002911446442E-16 -0.128951758438794E-13
Lanczos iteration: 58
alpha(00000058)= -0.00000000000095 -0.00000000000000
beta (00000058)= 9.69883900343135
gamma(00000058)= 9.69883900124797 -0.00020579707337
z1= 1 -0.236800931335271E-16 -0.240853479738581E-14
z1= 2 -0.225599363374331E+00 0.324793161246585E-05
z1= 3 -0.588418472675882E-16 0.576656072238753E-14
Lanczos iteration: 59
alpha(00000059)= -0.00000000000017 -0.00000000000001
beta (00000059)= 9.69653121186387
gamma(00000059)= 9.69653121142938 -0.00009179357297
z1= 1 -0.537542553617354E-11 -0.171414646590076E-06
z1= 2 -0.824166378047587E-13 0.187908568345752E-16
z1= 3 -0.266053933093361E-16 0.735766123033920E-14
Lanczos iteration: 60
alpha(00000060)= 0.00000000000008 -0.00000000000000
beta (00000060)= 9.98922420486124
gamma(00000060)= 9.98922420482815 -0.00002571288760
z1= 1 -0.384102310055733E-16 -0.168102836338446E-14
z1= 2 0.216400979354395E+00 -0.199003434385346E-06
z1= 3 0.648204178583516E-16 -0.415823049275073E-14
Lanczos iteration: 61
alpha(00000061)= -0.00000000000059 0.00000000000000
beta (00000061)= 9.71557176458253
gamma(00000061)= 9.71557176415843 -0.00009077833832
z1= 1 0.540286682340370E-11 0.183764989464686E-06
z1= 2 0.825988040985270E-13 0.177988389782751E-15
z1= 3 0.348235216102515E-16 0.437264672245548E-14
Lanczos iteration: 62
alpha(00000062)= -0.00000000000025 -0.00000000000001
beta (00000062)= 9.83136939993175
gamma(00000062)= 9.83136939991481 -0.00001824713080
z1= 1 0.206074645737499E-16 -0.345722257245884E-14
z1= 2 -0.213814822701483E+00 -0.102241293466552E-05
z1= 3 -0.606769759806872E-16 0.376442224884515E-14
Lanczos iteration: 63
alpha(00000063)= -0.00000000000011 -0.00000000000001
beta (00000063)= 9.67077463567274
gamma(00000063)= 9.67077463558540 0.00004110295940
z1= 1 -0.605977340179504E-11 -0.175305395379210E-06
z1= 2 -0.896220218263993E-13 -0.491689556427443E-16
z1= 3 -0.339102885611451E-16 0.541388672297094E-14
Lanczos iteration: 64
alpha(00000064)= -0.00000000000057 -0.00000000000000
beta (00000064)= 9.96503184371510
gamma(00000064)= 9.96503184369764 0.00001865262203
z1= 1 -0.539650646396125E-16 0.337376611023177E-14
z1= 2 0.205576748020888E+00 -0.120188394739118E-05
z1= 3 0.562989184509730E-16 -0.810876343841056E-14
Lanczos iteration: 65
alpha(00000065)= -0.00000000000070 -0.00000000000001
beta (00000065)= 9.94843664770679
gamma(00000065)= 9.94843664754049 -0.00005752179162
z1= 1 0.532977570633568E-11 0.139346793749147E-06
z1= 2 0.100517819979010E-12 0.298402295779402E-16
z1= 3 0.348034551148343E-16 0.799919561209433E-15
Lanczos iteration: 66
alpha(00000066)= 0.00000000000087 -0.00000000000001
beta (00000066)= 9.85150894919400
gamma(00000066)= 9.85150894873609 0.00009498613289
z1= 1 0.491787957833112E-16 -0.244350709371205E-14
z1= 2 -0.205266897086908E+00 -0.281395354254844E-06
z1= 3 -0.572174050992516E-16 0.109962127151513E-13
Lanczos iteration: 67
alpha(00000067)= -0.00000000000144 -0.00000000000001
beta (00000067)= 9.62241915336945
gamma(00000067)= 9.62241915319566 0.00005783212206
z1= 1 -0.719115539363305E-11 -0.157753648072747E-06
z1= 2 -0.835968121983000E-13 0.706937403547583E-16
z1= 3 -0.370982581715033E-16 -0.826239155397580E-15
Lanczos iteration: 68
alpha(00000068)= 0.00000000000115 -0.00000000000001
beta (00000068)= 10.27150992318965
gamma(00000068)= 10.27150992317851 0.00001512179980
z1= 1 -0.429300120470121E-16 0.706643673697299E-14
z1= 2 0.190390286524229E+00 -0.115557339473821E-05
z1= 3 0.453152508873800E-16 -0.986578191384326E-14
Lanczos iteration: 69
alpha(00000069)= -0.00000000000025 -0.00000000000001
beta (00000069)= 9.76203800404603
gamma(00000069)= 9.76203800404572 -0.00000246811418
z1= 1 0.752300174298134E-11 0.147060463615218E-06
z1= 2 0.640761044484045E-13 -0.591458371058640E-15
z1= 3 0.418879277233584E-16 0.214872273633424E-14
Lanczos iteration: 70
alpha(00000070)= 0.00000000000069 -0.00000000000001
beta (00000070)= 10.02787147150105
gamma(00000070)= 10.02787147138043 0.00004918578467
z1= 1 0.102020750983146E-16 -0.101609259200997E-13
z1= 2 -0.183018926134596E+00 0.533313941235983E-07
z1= 3 -0.343240632607930E-16 0.989728164099403E-14
Lanczos iteration: 71
alpha(00000071)= 0.00000000000002 -0.00000000000002
beta (00000071)= 9.64382759234281
gamma(00000071)= 9.64382759232610 -0.00001795293569
z1= 1 -0.868963467720189E-11 -0.160400260275660E-06
z1= 2 -0.535146471407344E-13 0.681277652141258E-15
z1= 3 -0.356394159057725E-16 -0.115251443016041E-13
Lanczos iteration: 72
alpha(00000072)= 0.00000000000026 -0.00000000000002
beta (00000072)= 9.73818723409589
gamma(00000072)= 9.73818723409274 0.00000783061603
z1= 1 -0.378261091442129E-17 -0.543131078306613E-15
z1= 2 0.180976898209968E+00 -0.206445159692289E-05
z1= 3 0.207284402702678E-16 -0.819346428580549E-14
Lanczos iteration: 73
alpha(00000073)= -0.00000000000126 -0.00000000000005
beta (00000073)= 9.54033816146519
gamma(00000073)= 9.54033816101735 0.00009244039192
z1= 1 0.876388054511512E-11 0.175181479802359E-06
z1= 2 0.492045182945650E-13 -0.101053624645839E-14
z1= 3 0.314190218800522E-16 0.100976070860211E-13
Lanczos iteration: 74
alpha(00000074)= -0.00000000000117 -0.00000000000007
beta (00000074)= 9.89498903278731
gamma(00000074)= 9.89498903274881 0.00002760240915
z1= 1 0.364112729547226E-16 0.594060628326173E-14
z1= 2 -0.172311368993057E+00 0.255684210310365E-05
z1= 3 -0.187107289007883E-16 0.900296705939367E-14
Lanczos iteration: 75
alpha(00000075)= -0.00000000000090 -0.00000000000007
beta (00000075)= 9.90940832811105
gamma(00000075)= 9.90940832810838 0.00000727128603
z1= 1 -0.834734261930548E-11 -0.120250541579635E-06
z1= 2 -0.678820199920618E-13 0.215294563634159E-14
z1= 3 -0.382998068780111E-16 -0.132698507784453E-13
Lanczos iteration: 76
alpha(00000076)= -0.00000000000039 -0.00000000000004
beta (00000076)= 10.01986273061149
gamma(00000076)= 10.01986273037171 0.00006931938302
z1= 1 -0.420005522060781E-16 -0.927270684281806E-14
z1= 2 0.168027379259490E+00 -0.162827161934127E-05
z1= 3 0.234199218898953E-16 -0.812965702176516E-14
Lanczos iteration: 77
alpha(00000077)= -0.00000000000170 -0.00000000000011
beta (00000077)= 9.62024257678153
gamma(00000077)= 9.62024257675641 0.00002198872895
z1= 1 0.841379425959025E-11 0.177960567028542E-06
z1= 2 0.767765029070083E-13 -0.296935488824641E-14
z1= 3 0.413446619371773E-16 0.656424503698433E-14
Lanczos iteration: 78
alpha(00000078)= -0.00000000000075 -0.00000000000010
beta (00000078)= 9.98797565132385
gamma(00000078)= 9.98797565115512 -0.00005805552449
z1= 1 0.699989086402138E-16 0.647880593574943E-14
z1= 2 -0.160123363869733E+00 0.652410576921323E-06
z1= 3 -0.137289500825185E-16 0.357786668782081E-14
Lanczos iteration: 79
alpha(00000079)= -0.00000000000059 -0.00000000000009
beta (00000079)= 9.96846297470664
gamma(00000079)= 9.96846297460472 -0.00004507896826
z1= 1 -0.124201917945721E-10 -0.133674380046550E-06
z1= 2 -0.867313219941185E-13 0.442789183682617E-14
z1= 3 -0.437296234144548E-16 -0.984334326583660E-14
Lanczos iteration: 80
alpha(00000080)= -0.00000000000049 -0.00000000000011
beta (00000080)= 9.79340230676110
gamma(00000080)= 9.79340230666886 -0.00004250314102
z1= 1 -0.725785739508564E-16 -0.782134638088391E-14
z1= 2 0.160046166880025E+00 -0.356522658923584E-07
z1= 3 0.149192236056615E-16 -0.167759682862820E-14
Lanczos iteration: 81
alpha(00000081)= 0.00000000000027 -0.00000000000007
beta (00000081)= 10.03306071081623
gamma(00000081)= 10.03306071007641 -0.00012184189445
z1= 1 0.680802540823523E-11 0.148426250721052E-06
z1= 2 0.897498492625354E-13 -0.612756785553756E-14
z1= 3 0.463311017051433E-16 0.125219054275408E-13
Lanczos iteration: 82
alpha(00000082)= 0.00000000000085 -0.00000000000006
beta (00000082)= 9.97671774503253
gamma(00000082)= 9.97671774308045 -0.00019735923456
z1= 1 0.735473414144989E-16 0.558727326557817E-14
z1= 2 -0.158836646189031E+00 -0.452419757901277E-06
z1= 3 -0.138078879577075E-16 -0.201147912160105E-14
Lanczos iteration: 83
alpha(00000083)= 0.00000000000198 -0.00000000000005
beta (00000083)= 9.87455202972365
gamma(00000083)= 9.87455202942080 -0.00007733795057
z1= 1 -0.848448406901482E-11 -0.170103239962525E-06
z1= 2 -0.759264612987254E-13 0.718199090558570E-14
z1= 3 -0.565579770318318E-16 -0.214656967365033E-14
Lanczos iteration: 84
alpha(00000084)= -0.00000000000002 -0.00000000000005
beta (00000084)= 9.88693304384310
gamma(00000084)= 9.88693304233142 -0.00017289207922
z1= 1 -0.174214183023353E-15 -0.531106683290686E-14
z1= 2 0.156341430153005E+00 0.655404493093207E-06
z1= 3 0.200909993571467E-16 0.691515869453052E-14
Lanczos iteration: 85
alpha(00000085)= 0.00000000000137 -0.00000000000008
beta (00000085)= 9.83855209437425
gamma(00000085)= 9.83855209226778 -0.00020359097934
z1= 1 0.223626612697692E-11 0.146071202740889E-06
z1= 2 0.760944042152434E-13 -0.752596418107795E-14
z1= 3 0.613082818686534E-16 0.599085988742410E-14
Lanczos iteration: 86
alpha(00000086)= 0.00000000000088 -0.00000000000015
beta (00000086)= 9.71070350994757
gamma(00000086)= 9.71070350880327 -0.00014907687691
z1= 1 0.222276268436105E-16 0.223397147135207E-14
z1= 2 -0.156230488027571E+00 -0.558847590869820E-05
z1= 3 -0.342101986675762E-17 -0.802668325500489E-14
Lanczos iteration: 87
alpha(00000087)= 0.00000000000016 -0.00000000000036
beta (00000087)= 9.55791851142449
gamma(00000087)= 9.55791850847833 -0.00023731506638
z1= 1 -0.128443161389587E-11 -0.175746969913499E-06
z1= 2 -0.622611093540823E-13 0.101173902794954E-13
z1= 3 -0.723953338588072E-16 -0.902734812110260E-14
Lanczos iteration: 88
alpha(00000088)= 0.00000000000046 -0.00000000000024
beta (00000088)= 10.09238954508357
gamma(00000088)= 10.09238953928414 -0.00034214086851
z1= 1 -0.250918422849714E-16 -0.607887085937384E-14
z1= 2 0.146377076493772E+00 0.945841275568030E-05
z1= 3 0.104504260415093E-17 0.107940166961365E-13
Lanczos iteration: 89
alpha(00000089)= 0.00000000000059 -0.00000000000042
beta (00000089)= 9.68937033169266
gamma(00000089)= 9.68937032596400 -0.00033318810970
z1= 1 -0.585278585661401E-11 0.185154757467514E-06
z1= 2 0.571407613066122E-13 -0.141525954251304E-13
z1= 3 0.696055506545305E-16 0.299590831180472E-14
Lanczos iteration: 90
alpha(00000090)= -0.00000000000016 -0.00000000000043
beta (00000090)= 9.93146326200657
gamma(00000090)= 9.93146325324962 -0.00041705963518
z1= 1 -0.360205508836607E-16 0.100618027364802E-14
z1= 2 -0.140545506478247E+00 -0.146107720409684E-04
z1= 3 -0.937018293405884E-17 -0.132812583881865E-13
Lanczos iteration: 91
alpha(00000091)= 0.00000000000158 -0.00000000000034
beta (00000091)= 9.98960152805752
gamma(00000091)= 9.98960151890274 -0.00042767405069
z1= 1 0.136106145695830E-10 -0.172588620419277E-06
z1= 2 -0.583857574375408E-13 0.199520751634612E-13
z1= 3 -0.725607153241907E-16 -0.660608986975551E-14
Lanczos iteration: 92
alpha(00000092)= 0.00000000000049 -0.00000000000088
beta (00000092)= 9.49590150431320
gamma(00000092)= 9.49590148315235 -0.00063394221643
z1= 1 0.494312810847645E-16 -0.891754253990254E-14
z1= 2 0.146863775909986E+00 0.204104236332603E-04
z1= 3 -0.395512283601911E-17 0.107013539033995E-13
Lanczos iteration: 93
alpha(00000093)= 0.00000000000193 -0.00000000000089
beta (00000093)= 9.94607492895282
gamma(00000093)= 9.94607489451214 -0.00082770711399
z1= 1 -0.195162328007793E-10 0.191939953167437E-06
z1= 2 0.484988297352190E-13 -0.320924457948689E-13
z1= 3 0.694980372967334E-16 0.115774545726769E-13
Lanczos iteration: 94
alpha(00000094)= 0.00000000000168 -0.00000000000096
beta (00000094)= 9.88951255823871
gamma(00000094)= 9.88951250649653 -0.00101163720712
z1= 1 -0.111610619783943E-15 0.170627401097079E-13
z1= 2 -0.145936296512030E+00 -0.332509194590800E-04
z1= 3 0.839451734330274E-17 -0.141498159513002E-13
Lanczos iteration: 95
alpha(00000095)= 0.00000000000184 -0.00000000000054
beta (00000095)= 10.09452401779138
gamma(00000095)= 10.09452397338668 -0.00094683077520
z1= 1 0.557888256997798E-10 -0.148118321246490E-06
z1= 2 -0.235436941210115E-13 0.447034359157185E-13
z1= 3 -0.664214360144544E-16 -0.102607275100574E-14
Lanczos iteration: 96
alpha(00000096)= 0.00000000000319 -0.00000000000037
beta (00000096)= 9.95186379428352
gamma(00000096)= 9.95186377680441 -0.00058982999397
z1= 1 0.576152869513559E-16 -0.173428166359152E-13
z1= 2 0.145851099502898E+00 0.489494844872538E-04
z1= 3 -0.163699221387154E-16 0.178831130143306E-13
Lanczos iteration: 97
alpha(00000097)= 0.00000000000129 0.00000000000025
beta (00000097)= 10.11162727362289
gamma(00000097)= 10.11162726807368 -0.00033499712285
z1= 1 -0.193957085006610E-10 0.179245682960412E-06
z1= 2 -0.219765883009010E-13 -0.487463961740725E-13
z1= 3 0.700860010146047E-16 -0.272772176616918E-14
Lanczos iteration: 98
alpha(00000098)= 0.00000000000306 0.00000000000041
beta (00000098)= 9.94985158817656
gamma(00000098)= 9.94985158804910 0.00005036162978
z1= 1 -0.195551399568387E-15 0.121197539851292E-13
z1= 2 -0.147452442187375E+00 -0.526684818336759E-04
z1= 3 0.212570965831598E-16 -0.168972059967203E-13
Lanczos iteration: 99
alpha(00000099)= 0.00000000000244 0.00000000000017
beta (00000099)= 9.78561126331507
gamma(00000099)= 9.78561126315254 -0.00005639892105
z1= 1 0.877400566192345E-10 -0.150504203253994E-06
z1= 2 0.676960115568448E-13 0.432187664026030E-13
z1= 3 -0.713871772519489E-16 0.256633319887960E-15
Lanczos iteration: 100
alpha(00000100)= 0.00000000000269 -0.00000000000015
beta (00000100)= 9.74485693044274
gamma(00000100)= 9.74485692326206 -0.00037409821129
z1= 1 0.179912074397859E-15 -0.889095925788591E-14
z1= 2 0.146048587032894E+00 0.534379318774800E-04
z1= 3 -0.309121472293524E-16 0.133940345776019E-13
Lanczos iteration: 101
alpha(00000101)= 0.00000000000100 0.00000000000032
beta (00000101)= 10.07451788882458
gamma(00000101)= 10.07451788121512 -0.00039156515948
z1= 1 0.621256297217156E-12 0.190305676754318E-06
z1= 2 -0.101734647182244E-12 -0.428009577101217E-13
z1= 3 0.773797846171206E-16 -0.529358854579285E-14
Lanczos iteration: 102
alpha(00000102)= 0.00000000000419 -0.00000000000058
beta (00000102)= 9.49643554244885
gamma(00000102)= 9.49643551248043 -0.00075444437568
z1= 1 -0.244930191080201E-15 -0.372975034104023E-14
z1= 2 -0.153072032106604E+00 -0.616395992143101E-04
z1= 3 0.343063049429001E-16 -0.114531485377404E-13
Lanczos iteration: 103
alpha(00000103)= 0.00000000000279 -0.00000000000039
beta (00000103)= 9.95670870506884
gamma(00000103)= 9.95670862235000 -0.00128343861814
z1= 1 0.149115723249568E-09 -0.969860465754662E-07
z1= 2 0.161103498163423E-12 0.501526033576877E-13
z1= 3 -0.842245835988761E-16 0.112050143653553E-13
Lanczos iteration: 104
alpha(00000104)= 0.00000000000515 -0.00000000000067
beta (00000104)= 9.77265317373159
gamma(00000104)= 9.77265304521697 -0.00158488407280
z1= 1 0.135200618886693E-15 0.140629153287664E-13
z1= 2 0.154295184266418E+00 0.823291535171018E-04
z1= 3 -0.386791301900542E-16 0.992305654824813E-14
Lanczos iteration: 105
alpha(00000105)= 0.00000000000397 -0.00000000000051
beta (00000105)= 9.93401854856205
gamma(00000105)= 9.93401837693130 -0.00184660939472
z1= 1 0.786432757694023E-10 0.240297542504942E-06
z1= 2 -0.235122143109334E-12 -0.586044658510019E-13
z1= 3 0.785580839663601E-16 -0.666068070699155E-14
Lanczos iteration: 106
alpha(00000106)= 0.00000000000741 -0.00000000000148
beta (00000106)= 9.58598722457980
gamma(00000106)= 9.58598681873304 -0.00278942353197
z1= 1 -0.173382959151966E-15 -0.907011011436198E-14
z1= 2 -0.157960752338618E+00 -0.113711863289439E-03
z1= 3 0.403428952712684E-16 -0.124963086261537E-13
Lanczos iteration: 107
alpha(00000107)= 0.00000000000435 -0.00000000000069
beta (00000107)= 10.09295763743772
gamma(00000107)= 10.09295706416253 -0.00340177662250
z1= 1 0.466910541298964E-09 -0.335185646946955E-07
z1= 2 0.337576422707302E-12 0.792942918785188E-13
z1= 3 -0.734400040950139E-16 0.612259103918955E-14
Lanczos iteration: 108
alpha(00000108)= 0.00000000000658 -0.00000000000092
beta (00000108)= 9.80990315908879
gamma(00000108)= 9.80990264549236 -0.00317437588523
z1= 1 0.703523066676760E-17 0.498337265550375E-14
z1= 2 0.161422733891485E+00 0.169365832619917E-03
z1= 3 -0.564886961395606E-16 0.122612297859813E-13
Lanczos iteration: 109
alpha(00000109)= 0.00000000000545 -0.00000000000039
beta (00000109)= 9.97879693812136
gamma(00000109)= 9.97879634835110 -0.00343080094155
z1= 1 0.481442624740881E-09 0.285206549595639E-06
z1= 2 -0.435108397337132E-12 -0.914976245103777E-13
z1= 3 0.776084029049262E-16 0.228757097891935E-14
Lanczos iteration: 110
alpha(00000110)= 0.00000000000403 -0.00000000000032
beta (00000110)= 9.86882001492571
gamma(00000110)= 9.86881949164864 -0.00321376013574
z1= 1 -0.111467735913653E-15 -0.151184945638982E-13
z1= 2 -0.161461014476619E+00 -0.224350462940850E-03
z1= 3 0.432138851060642E-16 -0.108449613610109E-13
Lanczos iteration: 111
alpha(00000111)= 0.00000000000025 0.00000000000091
beta (00000111)= 10.11272867909632
gamma(00000111)= 10.11272847494447 -0.00203200996901
z1= 1 0.133809936076963E-08 0.161264220015641E-07
z1= 2 0.481990124285496E-12 0.942904783920793E-13
z1= 3 -0.466866843927378E-16 -0.254472659423468E-14
Lanczos iteration: 112
alpha(00000112)= -0.00000000000499 0.00000000000164
beta (00000112)= 10.02936510186817
gamma(00000112)= 10.02936509734467 0.00030122359185
z1= 1 -0.161840047855350E-15 0.302125513802353E-14
z1= 2 0.161080072681876E+00 0.256942208679808E-03
z1= 3 -0.674775775869531E-16 0.982378573284274E-14
Lanczos iteration: 113
alpha(00000113)= -0.00000000000729 0.00000000000219
beta (00000113)= 10.03740766670228
gamma(00000113)= 10.03740744252125 0.00212141289934
z1= 1 0.135768039306226E-08 0.311748442486492E-06
z1= 2 -0.397763575278164E-12 -0.658610487195823E-13
z1= 3 0.719394205436713E-16 -0.585243940042278E-14
Lanczos iteration: 114
alpha(00000114)= -0.00000000000922 0.00000000000252
beta (00000114)= 10.03323859994821
gamma(00000114)= 10.03323781723335 0.00396312115707
z1= 1 -0.114159930874827E-15 -0.583258417149839E-14
z1= 2 -0.160398144528246E+00 -0.220007787443851E-03
z1= 3 0.436333473635918E-16 -0.115946959530509E-14
Lanczos iteration: 115
alpha(00000115)= -0.00000000001015 0.00000000000243
beta (00000115)= 9.96373607449380
gamma(00000115)= 9.96373484616849 0.00494746569819
z1= 1 0.191412659241713E-08 0.314686273774060E-07
z1= 2 0.252681007356908E-12 0.265631520404094E-13
z1= 3 -0.801240192292619E-16 -0.141845409873549E-14
Lanczos iteration: 116
alpha(00000116)= -0.00000000001190 0.00000000000229
beta (00000116)= 10.21992745041553
gamma(00000116)= 10.21992552776873 0.00626886096252
z1= 1 -0.628683156293474E-16 0.222490550831102E-13
z1= 2 0.153924944468700E+00 0.137873272887796E-03
z1= 3 -0.311731815016073E-16 -0.222635013031325E-14
Lanczos iteration: 117
alpha(00000117)= -0.00000000000899 0.00000000000177
beta (00000117)= 9.79855212806076
gamma(00000117)= 9.79855014910911 0.00622749692292
z1= 1 0.137787299218982E-08 0.300647299091219E-06
z1= 2 -0.701128828524975E-13 0.102874789422270E-13
z1= 3 0.759545984826362E-16 0.181622218959543E-15
Lanczos iteration: 118
alpha(00000118)= -0.00000000000727 0.00000000000098
beta (00000118)= 10.16684419549874
gamma(00000118)= 10.16684263761734 0.00562827438964
z1= 1 -0.363786158641390E-16 -0.567270839677003E-14
z1= 2 -0.146992197044589E+00 -0.356938478164135E-04
z1= 3 0.365214921500047E-16 0.640032499310461E-15
Lanczos iteration: 119
alpha(00000119)= -0.00000000000320 -0.00000000000010
beta (00000119)= 10.22165847360762
gamma(00000119)= 10.22165747823776 0.00451094896303
z1= 1 0.629957002645842E-09 -0.253864600836752E-07
z1= 2 -0.325824978976430E-13 -0.232549144371503E-13
z1= 3 -0.779953856734144E-16 0.204519854058530E-14
Lanczos iteration: 120
alpha(00000120)= 0.00000000000047 -0.00000000000087
beta (00000120)= 9.90947647159747
gamma(00000120)= 9.90947613155324 0.00259602012032
z1= 1 -0.489992264528545E-16 0.584511009472238E-14
z1= 2 0.150791285062397E+00 -0.306519477167828E-04
z1= 3 -0.521303090623665E-16 -0.565600089824482E-14
Lanczos iteration: 121
alpha(00000121)= 0.00000000000382 -0.00000000000159
beta (00000121)= 9.71677864843928
gamma(00000121)= 9.71677862148859 0.00072370423903
z1= 1 -0.490075926522225E-09 0.260040222059560E-06
z1= 2 0.256881951962110E-13 0.103664767024291E-13
z1= 3 0.777356844675421E-16 0.567999315365683E-14
Lanczos iteration: 122
alpha(00000122)= 0.00000000000897 -0.00000000000241
beta (00000122)= 10.10807337030972
gamma(00000122)= 10.10807327779226 -0.00136760609646
z1= 1 -0.485209324247029E-16 -0.261618348444920E-13
z1= 2 -0.143289849914112E+00 0.382716358099459E-04
z1= 3 0.555872896022180E-16 0.611300775065751E-14
Lanczos iteration: 123
alpha(00000123)= 0.00000000001304 -0.00000000000355
beta (00000123)= 9.58853432047360
gamma(00000123)= 9.58853372259304 -0.00338608860105
z1= 1 -0.182323889625270E-08 -0.926010006477998E-07
z1= 2 0.102555052801769E-12 0.243115978591383E-13
z1= 3 -0.767424845183469E-16 0.224579191586685E-15
Lanczos iteration: 124
alpha(00000124)= 0.00000000001762 -0.00000000000427
beta (00000124)= 9.98807278798528
gamma(00000124)= 9.98807117681706 -0.00567317621149
z1= 1 0.958583745336343E-16 0.135456052028238E-13
z1= 2 0.136282081243976E+00 0.890894884962416E-05
z1= 3 -0.615204889815847E-16 -0.578793417778217E-14
Lanczos iteration: 125
alpha(00000125)= 0.00000000002693 -0.00000000000633
beta (00000125)= 9.64057841857645
gamma(00000125)= 9.64057479538408 -0.00835818922586
z1= 1 -0.318575823718197E-08 0.239620761791629E-06
z1= 2 -0.359969480167709E-12 -0.863281244644674E-13
z1= 3 0.918852258738339E-16 0.112999589230107E-15
Lanczos iteration: 126
alpha(00000126)= 0.00000000002343 -0.00000000000522
beta (00000126)= 10.18651653270460
gamma(00000126)= 10.18651067847746 -0.01092100402484
z1= 1 -0.248492599898116E-16 -0.106843956696346E-13
z1= 2 -0.127609526633689E+00 -0.125652067193479E-03
z1= 3 0.653802442207453E-16 0.121261490251298E-13
Lanczos iteration: 127
alpha(00000127)= 0.00000000003442 -0.00000000000725
beta (00000127)= 9.71323465620792
gamma(00000127)= 9.71322592455699 -0.01302401907099
z1= 1 -0.402351733821866E-08 -0.150334704713723E-06
z1= 2 0.669593815615620E-12 0.156190325497549E-12
z1= 3 -0.707218521000938E-16 0.365049151063687E-14
Lanczos iteration: 128
alpha(00000128)= 0.00000000005065 -0.00000000000982
beta (00000128)= 9.72008343224195
gamma(00000128)= 9.72006515250095 -0.01885101803920
z1= 1 0.208951249035713E-16 0.767655456888026E-14
z1= 2 0.126309168058401E+00 0.288033791039073E-03
z1= 3 -0.216984847327550E-16 -0.130524996826859E-13
Lanczos iteration: 129
alpha(00000129)= 0.00000000004897 -0.00000000000833
beta (00000129)= 9.99071678855152
gamma(00000129)= 9.99068895631533 -0.02358234941643
z1= 1 -0.632575954753192E-08 0.249537693024576E-06
z1= 2 -0.129937743168786E-11 -0.279958154888186E-12
z1= 3 0.113787609346625E-15 -0.979081218719927E-14
Lanczos iteration: 130
alpha(00000130)= 0.00000000003426 -0.00000000000361
beta (00000130)= 10.10040469990543
gamma(00000130)= 10.10038030548019 -0.02219879590360
z1= 1 -0.288476128428765E-16 0.151280173318078E-13
z1= 2 -0.123918321657048E+00 -0.584284345017595E-03
z1= 3 0.112716957708468E-16 0.938950138799527E-14
Lanczos iteration: 131
alpha(00000131)= 0.00000000005141 -0.00000000000480
beta (00000131)= 9.76259457912126
gamma(00000131)= 9.76256663308620 -0.02335917035668
z1= 1 -0.521213057074000E-08 -0.142666569586541E-06
z1= 2 0.174593220198145E-11 0.334264023776757E-12
z1= 3 -0.118179091996514E-15 0.838697946372975E-14
Lanczos iteration: 132
alpha(00000132)= 0.00000000004443 -0.00000000000087
beta (00000132)= 9.96972452075858
gamma(00000132)= 9.96968605706190 -0.02769374370622
z1= 1 0.353945422504418E-15 -0.126385515009271E-13
z1= 2 0.119653159123937E+00 0.844079313384577E-03
z1= 3 0.138687275073705E-16 -0.875444022136966E-14
Lanczos iteration: 133
alpha(00000133)= 0.00000000001852 0.00000000000568
beta (00000133)= 10.08795653005524
gamma(00000133)= 10.08793324011791 -0.02167706641258
z1= 1 -0.811785129329366E-08 0.280478679446335E-06
z1= 2 -0.223690317435526E-11 -0.346180521340348E-12
z1= 3 0.139020922383969E-15 -0.130988693802946E-13
Lanczos iteration: 134
alpha(00000134)= -0.00000000000570 0.00000000000989
beta (00000134)= 10.03995369279869
gamma(00000134)= 10.03994758774011 -0.01107199050564
z1= 1 0.632100454470890E-16 -0.406239712008594E-14
z1= 2 -0.120553415964630E+00 -0.110276230214455E-02
z1= 3 -0.228137593928242E-16 0.938696330847308E-14
Lanczos iteration: 135
alpha(00000135)= -0.00000000004230 0.00000000001328
beta (00000135)= 10.14550403013352
gamma(00000135)= 10.14550350475765 0.00326502766366
z1= 1 -0.317488451876996E-08 -0.146208384085102E-06
z1= 2 0.217434127343721E-11 0.231135532779896E-12
z1= 3 -0.232697215175535E-15 0.797349834796413E-15
Lanczos iteration: 136
alpha(00000136)= -0.00000000004539 0.00000000001159
beta (00000136)= 9.92196149669356
gamma(00000136)= 9.92195326114619 0.01278379833473
z1= 1 0.142264689205517E-15 -0.126012075123486E-13
z1= 2 0.122183462731605E+00 0.109920079235519E-02
z1= 3 0.408576764595947E-16 -0.822610390407063E-14
Lanczos iteration: 137
alpha(00000137)= -0.00000000003970 0.00000000000960
beta (00000137)= 9.87465846844749
gamma(00000137)= 9.87465082171448 0.01228892571622
z1= 1 -0.535621248446215E-08 0.272791685780213E-06
z1= 2 -0.156300765787130E-11 -0.750993825418843E-13
z1= 3 -0.743828472327751E-16 0.726517588945081E-14
Lanczos iteration: 138
alpha(00000138)= -0.00000000001065 0.00000000000816
beta (00000138)= 9.59792992925874
gamma(00000138)= 9.59792976356600 0.00178342776830
z1= 1 -0.161486513756677E-15 0.129224159584745E-13
z1= 2 -0.124332052110672E+00 -0.943374269782057E-03
z1= 3 0.211514400950835E-16 0.919824345230685E-14
Lanczos iteration: 139
alpha(00000139)= -0.00000000001079 0.00000000000839
beta (00000139)= 9.89179405134626
gamma(00000139)= 9.89179085886142 -0.00794725077443
z1= 1 -0.100448271173556E-08 -0.167520299185921E-06
z1= 2 0.140402188268348E-11 -0.291320271306858E-13
z1= 3 -0.917034838712864E-16 0.909734430463761E-14
Lanczos iteration: 140
alpha(00000140)= -0.00000000002412 0.00000000000753
beta (00000140)= 10.03418934611997
gamma(00000140)= 10.03418861129120 -0.00384015905123
z1= 1 0.134122373241798E-16 -0.674984970260722E-14
z1= 2 0.123598801729771E+00 0.103740952072671E-02
z1= 3 0.259122791618748E-16 -0.118005396463279E-13
Lanczos iteration: 141
alpha(00000141)= -0.00000000003231 0.00000000000558
beta (00000141)= 10.02160304792556
gamma(00000141)= 10.02160190561704 0.00478492671301
z1= 1 -0.369402702745382E-08 0.260795689017057E-06
z1= 2 -0.111264202536164E-11 0.126178393642569E-12
z1= 3 0.190608550616141E-15 -0.936814319775509E-15
Lanczos iteration: 142
alpha(00000142)= -0.00000000002544 0.00000000000528
beta (00000142)= 9.80466747250509
gamma(00000142)= 9.80466591320886 0.00552962564071
z1= 1 -0.441558275403667E-17 0.294197717402855E-13
z1= 2 -0.124896168323820E+00 -0.100640440387223E-02
z1= 3 -0.949466154609562E-17 0.813355352821649E-14
Lanczos iteration: 143
alpha(00000143)= -0.00000000003042 0.00000000000273
beta (00000143)= 10.01374870622040
gamma(00000143)= 10.01374682816677 0.00613292024006
z1= 1 0.575380654956837E-09 -0.201334425778310E-06
z1= 2 0.747514219577236E-12 -0.187065430691264E-12
z1= 3 0.365977455549087E-16 -0.243530318664445E-14
Lanczos iteration: 144
alpha(00000144)= -0.00000000001826 0.00000000000446
beta (00000144)= 9.68559142560007
gamma(00000144)= 9.68559094809972 0.00304133955227
z1= 1 0.309935284630979E-15 -0.211740008664550E-13
z1= 2 0.128657583474097E+00 0.931680206675609E-03
z1= 3 -0.561321641121654E-16 -0.567273379064254E-14
Lanczos iteration: 145
alpha(00000145)= -0.00000000002145 0.00000000000251
beta (00000145)= 9.97125492914516
gamma(00000145)= 9.97125484137288 -0.00132302673504
z1= 1 -0.243169230342112E-08 0.212334044623292E-06
z1= 2 -0.505670165300027E-12 0.246280955368221E-12
z1= 3 0.121450948705917E-15 -0.209494504380009E-14
Lanczos iteration: 146
alpha(00000146)= -0.00000000002438 -0.00000000000222
beta (00000146)= 10.13500218096103
gamma(00000146)= 10.13499913952394 0.00785174718495
z1= 1 0.235645095321738E-16 0.142814362766308E-13
z1= 2 -0.126934428634763E+00 -0.955955125671518E-03
z1= 3 0.330463082234504E-16 0.575211679746668E-14
Lanczos iteration: 147
alpha(00000147)= -0.00000000002179 -0.00000000000351
beta (00000147)= 9.91500153197431
gamma(00000147)= 9.91499104433864 0.01442115589920
z1= 1 0.702896382997299E-09 -0.249517402399656E-06
z1= 2 0.194811506336323E-12 -0.221698709597778E-12
z1= 3 -0.359725432154870E-16 -0.106134795111293E-13
Lanczos iteration: 148
alpha(00000148)= -0.00000000001652 -0.00000000000462
beta (00000148)= 9.91292973669169
gamma(00000148)= 9.91291946164104 0.01427275742929
z1= 1 0.114653215070040E-15 -0.233400402954373E-13
z1= 2 0.125454186098219E+00 0.756896532356387E-03
z1= 3 -0.546750449609013E-16 -0.483172063121563E-14
Lanczos iteration: 149
alpha(00000149)= -0.00000000001225 -0.00000000000772
beta (00000149)= 10.13166002338015
gamma(00000149)= 10.13164321185580 0.01845689616013
z1= 1 -0.212053480568133E-08 0.225190252178610E-06
z1= 2 0.118052980856587E-13 0.160880603031540E-12
z1= 3 -0.386983152367820E-16 0.100856881226796E-13
Lanczos iteration: 150
alpha(00000150)= -0.00000000000620 -0.00000000000747
beta (00000150)= 9.85545920169369
gamma(00000150)= 9.85543870898373 0.02009800273451
z1= 1 -0.841604260155788E-16 0.252316884833542E-13
z1= 2 -0.129449833807797E+00 -0.539725882466345E-03
z1= 3 0.623097486890623E-16 0.321675896941069E-14
End of Lanczos iterations
Finished linear response calculation...
lr_magnons_m : 370.16s CPU 434.62s WALL ( 1 calls)
lr_solve_e : 2.48s CPU 2.75s WALL ( 1 calls)
one_step : 344.76s CPU 405.22s WALL ( 150 calls)
lr_apply : 344.56s CPU 404.98s WALL ( 300 calls)
lr_apply_int : 344.53s CPU 404.94s WALL ( 300 calls)
h_psi : 175.36s CPU 205.59s WALL ( 18064 calls)
205.35s GPU ( 18064 calls)
lr_calc_dens : 13.04s CPU 14.68s WALL ( 300 calls)
lr_dv_setup : 0.00s CPU 0.00s WALL ( 1 calls)
dv_of_drho : 0.03s CPU 0.03s WALL ( 300 calls)
ortho : 39.09s CPU 46.42s WALL ( 16856 calls)
US routines
General routines
calbec : 2.20s CPU 2.56s WALL ( 18064 calls)
fft : 0.24s CPU 0.31s WALL ( 914 calls)
0.28s GPU ( 14 calls)
fftw : 206.17s CPU 264.21s WALL ( 1765904 calls)
236.36s GPU ( 1195920 calls)
interpolate : 0.01s CPU 0.01s WALL ( 2400 calls)
davcio : 0.95s CPU 1.26s WALL ( 51171 calls)
Parallel routines
fft_scatter : 5.30s CPU 5.97s WALL ( 570884 calls)
turboMAGNON : 6m10.16s CPU 7m14.62s WALL
This run was terminated on: 12:25:31 16Nov2022
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=
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