mirror of https://gitlab.com/QEF/q-e.git
18897 lines
868 KiB
Plaintext
18897 lines
868 KiB
Plaintext
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Program TDDFPT v.4.99 starts on 13Jan2012 at 14:53:23
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This program is part of the open-source Quantum ESPRESSO suite
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for quantum simulation of materials; please cite
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"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
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URL http://www.quantum-espresso.org",
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in publications or presentations arising from this work. More details at
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http://www.quantum-espresso.org/quote.php
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Parallel version (MPI), running on 4 processors
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R & G space division: proc/pool = 4
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----------------------------------------
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This is TDDFPT (Time Dependent Density Functional Perturbation Theory)
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Sub Version: 0.9
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----------------------------------------
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Ultrasoft (Vanderbilt) Pseudopotentials
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Prefix of current run is appended by -stage2
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Info: using nr1, nr2, nr3 values from input
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Info: using nr1s, nr2s, nr3s values from input
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0)
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EXX-fraction = 0.00
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Any further DFT definition will be discarded
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Please, verify this is what you really want
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file H.pz-vbc.UPF: wavefunction(s) 1S renormalized
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Parallelization info
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--------------------
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sticks: dense smooth PW G-vecs: dense smooth PW
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Min 1787 1787 445 113964 113964 14262
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Max 1790 1790 450 113970 113970 14264
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Sum 7153 7153 1789 455863 455863 57051
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Tot 3577 3577 895
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Subspace diagonalization in iterative solution of the eigenvalue problem:
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a serial algorithm will be used
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Lanczos linear response spectrum calculation
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Number of Lanczos iterations = 500
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Warning: There are virtual states in the input file, trying to disregard in response calculation
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Gamma point algorithm
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lr_wfcinit_spectrum: finished lr_solve_e
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Reading Pre-calculated lanczos coefficents from ./out/ch4-pr.beta_gamma_z.1
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500 steps succesfully read for polarization index 1
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Calculating response coefficients
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Resonance frequency mode enabled
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Charge Response renormalization factor: 0.25096E+05 0.00000E+00
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Norm of initial Lanczos vectors= 1.841649869134100
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Starting Lanczos loop 1
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Lanczos iteration: 1
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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z1= 2 0.000000000000000E+00 0.000000000000000E+00
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z1= 3 0.000000000000000E+00 0.000000000000000E+00
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lr_apply_liouvillian: not applying interaction
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000001)=0.000000000000000E+00
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(calc=0.171988503139295E+01 read=0.171988503139295E+01)
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Weight for this step=-.74706E+00 -.25096E+02
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beta (00000002)=0.171988503139295E+01
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gamma(00000002)=0.171988503139295E+01
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lr_apply_liouvillian: applying interaction: normal
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lr_apply_liouvillian: not applying interaction
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Lanczos iteration: 2
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z1= 1 0.124520334742597E+01 0.000000000000000E+00
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z1= 2 0.317095473869808E-06 0.000000000000000E+00
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z1= 3 0.663024993342767E-06 0.000000000000000E+00
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Calculating total response charge density
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alpha(00000002)=0.000000000000000E+00
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(calc=0.476672689891552E+01 read=0.476672689891552E+01)
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Weight for this step=-.85118E+00 -.95520E+01
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beta (00000003)=0.476672689891552E+01
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gamma(00000003)=0.476672689891552E+01
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lr_apply_liouvillian: not applying interaction
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lr_apply_liouvillian: applying interaction: normal
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Lanczos iteration: 3
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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z1= 2 0.000000000000000E+00 0.000000000000000E+00
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z1= 3 0.000000000000000E+00 0.000000000000000E+00
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alpha(00000003)=0.000000000000000E+00
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(calc=0.135455819031628E+02 read=0.135455819031628E+02)
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Weight for this step=0.15466E+00 0.77428E+01
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beta (00000004)=0.135455819031628E+02
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gamma(00000004)=0.135455819031628E+02
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lr_apply_liouvillian: applying interaction: normal
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lr_apply_liouvillian: not applying interaction
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Lanczos iteration: 4
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z1= 1 -.355940407651614E+00 0.000000000000000E+00
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z1= 2 -.709929704697555E-07 0.000000000000000E+00
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z1= 3 -.218015962744734E-06 0.000000000000000E+00
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Calculating total response charge density
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alpha(00000004)=0.000000000000000E+00
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(calc=0.127184680928597E+02 read=0.127184680928597E+02)
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Weight for this step=0.30643E+00 0.37356E+01
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beta (00000005)=0.127184680928597E+02
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gamma(00000005)=0.127184680928597E+02
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lr_apply_liouvillian: not applying interaction
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lr_apply_liouvillian: applying interaction: normal
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Lanczos iteration: 5
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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z1= 2 0.000000000000000E+00 0.000000000000000E+00
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z1= 3 0.000000000000000E+00 0.000000000000000E+00
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alpha(00000005)=0.000000000000000E+00
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(calc=0.134778713661835E+02 read=0.134778713661835E+02)
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Weight for this step=-.14924E+00 -.80541E+01
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beta (00000006)=0.134778713661835E+02
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gamma(00000006)=0.134778713661835E+02
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lr_apply_liouvillian: applying interaction: normal
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lr_apply_liouvillian: not applying interaction
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Lanczos iteration: 6
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z1= 1 0.303456793894284E+00 0.000000000000000E+00
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z1= 2 0.729994181687156E-07 0.000000000000000E+00
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z1= 3 0.220826351416271E-06 0.000000000000000E+00
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Calculating total response charge density
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alpha(00000006)=0.000000000000000E+00
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(calc=0.128879302219375E+02 read=0.128879302219375E+02)
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Weight for this step=-.29582E+00 -.39163E+01
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beta (00000007)=0.128879302219375E+02
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gamma(00000007)=0.128879302219375E+02
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lr_apply_liouvillian: not applying interaction
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lr_apply_liouvillian: applying interaction: normal
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Lanczos iteration: 7
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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z1= 2 0.000000000000000E+00 0.000000000000000E+00
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z1= 3 0.000000000000000E+00 0.000000000000000E+00
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alpha(00000007)=0.000000000000000E+00
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(calc=0.133738472947644E+02 read=0.133738472947644E+02)
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Weight for this step=0.14135E+00 0.82238E+01
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beta (00000008)=0.133738472947644E+02
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gamma(00000008)=0.133738472947644E+02
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lr_apply_liouvillian: applying interaction: normal
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lr_apply_liouvillian: not applying interaction
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Lanczos iteration: 8
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z1= 1 -.273899700042011E+00 0.000000000000000E+00
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z1= 2 -.815998917591803E-07 0.000000000000000E+00
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z1= 3 -.240121425991723E-06 0.000000000000000E+00
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Calculating total response charge density
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alpha(00000008)=0.000000000000000E+00
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(calc=0.128588212197025E+02 read=0.128588212197025E+02)
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Weight for this step=0.29137E+00 0.41765E+01
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beta (00000009)=0.128588212197025E+02
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gamma(00000009)=0.128588212197025E+02
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lr_apply_liouvillian: not applying interaction
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lr_apply_liouvillian: applying interaction: normal
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Lanczos iteration: 9
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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z1= 2 0.000000000000000E+00 0.000000000000000E+00
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z1= 3 0.000000000000000E+00 0.000000000000000E+00
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alpha(00000009)=0.000000000000000E+00
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(calc=0.134143943584606E+02 read=0.134143943584606E+02)
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Weight for this step=-.13250E+00 -.83406E+01
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beta (00000010)=0.134143943584606E+02
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gamma(00000010)=0.134143943584606E+02
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lr_apply_liouvillian: applying interaction: normal
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lr_apply_liouvillian: not applying interaction
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Lanczos iteration: 10
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z1= 1 0.250161944170694E+00 0.000000000000000E+00
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z1= 2 0.754143489895692E-07 0.000000000000000E+00
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z1= 3 0.261006942501929E-06 0.000000000000000E+00
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Calculating total response charge density
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alpha(00000010)=0.000000000000000E+00
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(calc=0.128242646105845E+02 read=0.128242646105845E+02)
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Weight for this step=-.28515E+00 -.44106E+01
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beta (00000011)=0.128242646105845E+02
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gamma(00000011)=0.128242646105845E+02
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lr_apply_liouvillian: not applying interaction
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lr_apply_liouvillian: applying interaction: normal
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Lanczos iteration: 11
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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z1= 2 0.000000000000000E+00 0.000000000000000E+00
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z1= 3 0.000000000000000E+00 0.000000000000000E+00
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alpha(00000011)=0.000000000000000E+00
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(calc=0.134762987496952E+02 read=0.134762987496952E+02)
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Weight for this step=0.12439E+00 0.84992E+01
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beta (00000012)=0.134762987496952E+02
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gamma(00000012)=0.134762987496952E+02
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lr_apply_liouvillian: applying interaction: normal
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lr_apply_liouvillian: not applying interaction
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Lanczos iteration: 12
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z1= 1 -.228558099805471E+00 0.000000000000000E+00
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z1= 2 -.686414724877446E-07 0.000000000000000E+00
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z1= 3 -.281781214916195E-06 0.000000000000000E+00
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Calculating total response charge density
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alpha(00000012)=0.000000000000000E+00
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(calc=0.128064510567046E+02 read=0.128064510567046E+02)
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Weight for this step=0.27677E+00 0.46100E+01
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beta (00000013)=0.128064510567046E+02
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gamma(00000013)=0.128064510567046E+02
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lr_apply_liouvillian: not applying interaction
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lr_apply_liouvillian: applying interaction: normal
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Lanczos iteration: 13
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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z1= 2 0.000000000000000E+00 0.000000000000000E+00
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z1= 3 0.000000000000000E+00 0.000000000000000E+00
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alpha(00000013)=0.000000000000000E+00
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(calc=0.134982211612641E+02 read=0.134982211612641E+02)
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Weight for this step=-.11711E+00 -.87081E+01
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beta (00000014)=0.134982211612641E+02
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gamma(00000014)=0.134982211612641E+02
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lr_apply_liouvillian: applying interaction: normal
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lr_apply_liouvillian: not applying interaction
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Lanczos iteration: 14
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z1= 1 0.209175389896875E+00 0.000000000000000E+00
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z1= 2 0.779110487293157E-07 0.000000000000000E+00
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z1= 3 0.297441224358767E-06 0.000000000000000E+00
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Calculating total response charge density
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alpha(00000014)=0.000000000000000E+00
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(calc=0.128005701597246E+02 read=0.128005701597246E+02)
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Weight for this step=-.26762E+00 -.47961E+01
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beta (00000015)=0.128005701597246E+02
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gamma(00000015)=0.128005701597246E+02
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lr_apply_liouvillian: not applying interaction
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lr_apply_liouvillian: applying interaction: normal
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Lanczos iteration: 15
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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z1= 2 0.000000000000000E+00 0.000000000000000E+00
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z1= 3 0.000000000000000E+00 0.000000000000000E+00
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alpha(00000015)=0.000000000000000E+00
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(calc=0.134714904807318E+02 read=0.134714904807318E+02)
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Weight for this step=0.11018E+00 0.89374E+01
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beta (00000016)=0.134714904807318E+02
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gamma(00000016)=0.134714904807318E+02
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lr_apply_liouvillian: applying interaction: normal
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lr_apply_liouvillian: not applying interaction
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Lanczos iteration: 16
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z1= 1 -.192296691151057E+00 0.000000000000000E+00
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z1= 2 -.953196138929469E-07 0.000000000000000E+00
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z1= 3 -.303704543073730E-06 0.000000000000000E+00
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Calculating total response charge density
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alpha(00000016)=0.000000000000000E+00
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(calc=0.127887193302416E+02 read=0.127887193302416E+02)
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Weight for this step=0.25898E+00 0.49915E+01
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beta (00000017)=0.127887193302416E+02
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gamma(00000017)=0.127887193302416E+02
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lr_apply_liouvillian: not applying interaction
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lr_apply_liouvillian: applying interaction: normal
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Lanczos iteration: 17
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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z1= 2 0.000000000000000E+00 0.000000000000000E+00
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z1= 3 0.000000000000000E+00 0.000000000000000E+00
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alpha(00000017)=0.000000000000000E+00
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(calc=0.134266175648045E+02 read=0.134266175648045E+02)
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Weight for this step=-.10320E+00 -.91591E+01
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beta (00000018)=0.134266175648045E+02
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gamma(00000018)=0.134266175648045E+02
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lr_apply_liouvillian: applying interaction: normal
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lr_apply_liouvillian: not applying interaction
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Lanczos iteration: 18
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z1= 1 0.177688165637444E+00 0.000000000000000E+00
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z1= 2 0.113911880913163E-06 0.000000000000000E+00
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z1= 3 0.300714177139580E-06 0.000000000000000E+00
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Calculating total response charge density
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alpha(00000018)=0.000000000000000E+00
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(calc=0.127825615153248E+02 read=0.127825615153248E+02)
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Weight for this step=-.25102E+00 -.52009E+01
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beta (00000019)=0.127825615153248E+02
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gamma(00000019)=0.127825615153248E+02
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lr_apply_liouvillian: not applying interaction
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lr_apply_liouvillian: applying interaction: normal
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Lanczos iteration: 19
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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z1= 2 0.000000000000000E+00 0.000000000000000E+00
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z1= 3 0.000000000000000E+00 0.000000000000000E+00
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alpha(00000019)=0.000000000000000E+00
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(calc=0.134080225014896E+02 read=0.134080225014896E+02)
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Weight for this step=0.95949E-01 0.93542E+01
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beta (00000020)=0.134080225014896E+02
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gamma(00000020)=0.134080225014896E+02
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lr_apply_liouvillian: applying interaction: normal
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lr_apply_liouvillian: not applying interaction
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Lanczos iteration: 20
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z1= 1 -.164706328023573E+00 0.000000000000000E+00
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z1= 2 -.146703496893465E-06 0.000000000000000E+00
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z1= 3 -.298789065428099E-06 0.000000000000000E+00
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Calculating total response charge density
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alpha(00000020)=0.000000000000000E+00
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(calc=0.128007405891743E+02 read=0.128007405891743E+02)
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Weight for this step=0.24330E+00 0.54150E+01
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beta (00000021)=0.128007405891743E+02
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gamma(00000021)=0.128007405891743E+02
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lr_apply_liouvillian: not applying interaction
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lr_apply_liouvillian: applying interaction: normal
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Lanczos iteration: 21
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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z1= 2 0.000000000000000E+00 0.000000000000000E+00
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z1= 3 0.000000000000000E+00 0.000000000000000E+00
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alpha(00000021)=0.000000000000000E+00
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(calc=0.134207199429619E+02 read=0.134207199429619E+02)
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Weight for this step=-.88482E-01 -.95211E+01
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beta (00000022)=0.134207199429619E+02
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gamma(00000022)=0.134207199429619E+02
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lr_apply_liouvillian: applying interaction: normal
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lr_apply_liouvillian: not applying interaction
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Lanczos iteration: 22
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z1= 1 0.153072725164172E+00 0.000000000000000E+00
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z1= 2 0.167000018543029E-06 0.000000000000000E+00
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z1= 3 0.288819380002848E-06 0.000000000000000E+00
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Calculating total response charge density
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alpha(00000022)=0.000000000000000E+00
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(calc=0.128225843350253E+02 read=0.128225843350253E+02)
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Weight for this step=-.23567E+00 -.56292E+01
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beta (00000023)=0.128225843350253E+02
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gamma(00000023)=0.128225843350253E+02
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lr_apply_liouvillian: not applying interaction
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lr_apply_liouvillian: applying interaction: normal
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Lanczos iteration: 23
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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z1= 2 0.000000000000000E+00 0.000000000000000E+00
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z1= 3 0.000000000000000E+00 0.000000000000000E+00
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alpha(00000023)=0.000000000000000E+00
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(calc=0.134332985047371E+02 read=0.134332985047371E+02)
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Weight for this step=0.81017E-01 0.96778E+01
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beta (00000024)=0.134332985047371E+02
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gamma(00000024)=0.134332985047371E+02
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lr_apply_liouvillian: applying interaction: normal
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lr_apply_liouvillian: not applying interaction
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Lanczos iteration: 24
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z1= 1 -.142653586426500E+00 0.000000000000000E+00
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z1= 2 -.176769482250223E-06 0.000000000000000E+00
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z1= 3 -.279483744428143E-06 0.000000000000000E+00
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Calculating total response charge density
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alpha(00000024)=0.000000000000000E+00
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(calc=0.128311412750717E+02 read=0.128311412750717E+02)
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Weight for this step=0.22818E+00 0.58449E+01
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beta (00000025)=0.128311412750717E+02
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gamma(00000025)=0.128311412750717E+02
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lr_apply_liouvillian: not applying interaction
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lr_apply_liouvillian: applying interaction: normal
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Lanczos iteration: 25
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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z1= 2 0.000000000000000E+00 0.000000000000000E+00
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z1= 3 0.000000000000000E+00 0.000000000000000E+00
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alpha(00000025)=0.000000000000000E+00
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(calc=0.134383835925919E+02 read=0.134383835925919E+02)
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Weight for this step=-.73634E-01 -.98338E+01
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beta (00000026)=0.134383835925919E+02
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gamma(00000026)=0.134383835925919E+02
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lr_apply_liouvillian: applying interaction: normal
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lr_apply_liouvillian: not applying interaction
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Lanczos iteration: 26
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z1= 1 0.133198511431655E+00 0.000000000000000E+00
|
|
z1= 2 0.183945885238578E-06 0.000000000000000E+00
|
|
z1= 3 0.294017734448696E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000026)=0.000000000000000E+00
|
|
(calc=0.128182255125753E+02 read=0.128182255125753E+02)
|
|
Weight for this step=-.22072E+00 -.60598E+01
|
|
beta (00000027)=0.128182255125753E+02
|
|
gamma(00000027)=0.128182255125753E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 27
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000027)=0.000000000000000E+00
|
|
(calc=0.134102256464240E+02 read=0.134102256464240E+02)
|
|
Weight for this step=0.66397E-01 0.10000E+02
|
|
beta (00000028)=0.134102256464240E+02
|
|
gamma(00000028)=0.134102256464240E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 28
|
|
z1= 1 -.124698046392641E+00 0.000000000000000E+00
|
|
z1= 2 -.178587660683120E-06 0.000000000000000E+00
|
|
z1= 3 -.320817650230451E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000028)=0.000000000000000E+00
|
|
(calc=0.127846778652988E+02 read=0.127846778652988E+02)
|
|
Weight for this step=0.21348E+00 0.62804E+01
|
|
beta (00000029)=0.127846778652988E+02
|
|
gamma(00000029)=0.127846778652988E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 29
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000029)=0.000000000000000E+00
|
|
(calc=0.134134228273156E+02 read=0.134134228273156E+02)
|
|
Weight for this step=-.59207E-01 -.10168E+02
|
|
beta (00000030)=0.134134228273156E+02
|
|
gamma(00000030)=0.134134228273156E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 30
|
|
z1= 1 0.116544736685154E+00 0.000000000000000E+00
|
|
z1= 2 0.165167278937117E-06 0.000000000000000E+00
|
|
z1= 3 0.338408872945384E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000030)=0.000000000000000E+00
|
|
(calc=0.128191527329623E+02 read=0.128191527329623E+02)
|
|
Weight for this step=-.20560E+00 -.64823E+01
|
|
beta (00000031)=0.128191527329623E+02
|
|
gamma(00000031)=0.128191527329623E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 31
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000031)=0.000000000000000E+00
|
|
(calc=0.134294009228354E+02 read=0.134294009228354E+02)
|
|
Weight for this step=0.51958E-01 0.10308E+02
|
|
beta (00000032)=0.134294009228354E+02
|
|
gamma(00000032)=0.134294009228354E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 32
|
|
z1= 1 -.109214203792739E+00 0.000000000000000E+00
|
|
z1= 2 -.148961257963581E-06 0.000000000000000E+00
|
|
z1= 3 -.341636058890564E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000032)=0.000000000000000E+00
|
|
(calc=0.127671183314944E+02 read=0.127671183314944E+02)
|
|
Weight for this step=0.19802E+00 0.66902E+01
|
|
beta (00000033)=0.127671183314944E+02
|
|
gamma(00000033)=0.127671183314944E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 33
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000033)=0.000000000000000E+00
|
|
(calc=0.133586624070168E+02 read=0.133586624070168E+02)
|
|
Weight for this step=-.45025E-01 -.10500E+02
|
|
beta (00000034)=0.133586624070168E+02
|
|
gamma(00000034)=0.133586624070168E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 34
|
|
z1= 1 0.102543468595489E+00 0.000000000000000E+00
|
|
z1= 2 0.126861167013166E-06 0.000000000000000E+00
|
|
z1= 3 0.350387747672981E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000034)=0.000000000000000E+00
|
|
(calc=0.127703274763539E+02 read=0.127703274763539E+02)
|
|
Weight for this step=-.19067E+00 -.69084E+01
|
|
beta (00000035)=0.127703274763539E+02
|
|
gamma(00000035)=0.127703274763539E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 35
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000035)=0.000000000000000E+00
|
|
(calc=0.134311106659527E+02 read=0.134311106659527E+02)
|
|
Weight for this step=0.37866E-01 0.10629E+02
|
|
beta (00000036)=0.134311106659527E+02
|
|
gamma(00000036)=0.134311106659527E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 36
|
|
z1= 1 -.958466447694731E-01 0.000000000000000E+00
|
|
z1= 2 -.104730672858926E-06 0.000000000000000E+00
|
|
z1= 3 -.356673057850415E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000036)=0.000000000000000E+00
|
|
(calc=0.128060606184881E+02 read=0.128060606184881E+02)
|
|
Weight for this step=0.18235E+00 0.70866E+01
|
|
beta (00000037)=0.128060606184881E+02
|
|
gamma(00000037)=0.128060606184881E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 37
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000037)=0.000000000000000E+00
|
|
(calc=0.133888972899599E+02 read=0.133888972899599E+02)
|
|
Weight for this step=-.30947E-01 -.10786E+02
|
|
beta (00000038)=0.133888972899599E+02
|
|
gamma(00000038)=0.133888972899599E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 38
|
|
z1= 1 0.901622998431228E-01 0.000000000000000E+00
|
|
z1= 2 0.872973411648881E-07 0.000000000000000E+00
|
|
z1= 3 0.361186554502253E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000038)=0.000000000000000E+00
|
|
(calc=0.127549634132078E+02 read=0.127549634132078E+02)
|
|
Weight for this step=-.17512E+00 -.73054E+01
|
|
beta (00000039)=0.127549634132078E+02
|
|
gamma(00000039)=0.127549634132078E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 39
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000039)=0.000000000000000E+00
|
|
(calc=0.133497045369355E+02 read=0.133497045369355E+02)
|
|
Weight for this step=0.24070E-01 0.10947E+02
|
|
beta (00000040)=0.133497045369355E+02
|
|
gamma(00000040)=0.133497045369355E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 40
|
|
z1= 1 -.847497650868138E-01 0.000000000000000E+00
|
|
z1= 2 -.698850330530312E-07 0.000000000000000E+00
|
|
z1= 3 -.360351918143311E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000040)=0.000000000000000E+00
|
|
(calc=0.126995463382604E+02 read=0.126995463382604E+02)
|
|
Weight for this step=0.16768E+00 0.75168E+01
|
|
beta (00000041)=0.126995463382604E+02
|
|
gamma(00000041)=0.126995463382604E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 41
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000041)=0.000000000000000E+00
|
|
(calc=0.133246757767513E+02 read=0.133246757767513E+02)
|
|
Weight for this step=-.17252E-01 -.11120E+02
|
|
beta (00000042)=0.133246757767513E+02
|
|
gamma(00000042)=0.133246757767513E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 42
|
|
z1= 1 0.794592930098019E-01 0.000000000000000E+00
|
|
z1= 2 0.498799826650909E-07 0.000000000000000E+00
|
|
z1= 3 0.353790508667994E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000042)=0.000000000000000E+00
|
|
(calc=0.127528421613253E+02 read=0.127528421613253E+02)
|
|
Weight for this step=-.15982E+00 -.77104E+01
|
|
beta (00000043)=0.127528421613253E+02
|
|
gamma(00000043)=0.127528421613253E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 43
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000043)=0.000000000000000E+00
|
|
(calc=0.133691963700601E+02 read=0.133691963700601E+02)
|
|
Weight for this step=0.10426E-01 0.11223E+02
|
|
beta (00000044)=0.133691963700601E+02
|
|
gamma(00000044)=0.133691963700601E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 44
|
|
z1= 1 -.746049876802575E-01 0.000000000000000E+00
|
|
z1= 2 -.292785169962728E-07 0.000000000000000E+00
|
|
z1= 3 -.361153975821072E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000044)=0.000000000000000E+00
|
|
(calc=0.127653035729734E+02 read=0.127653035729734E+02)
|
|
Weight for this step=0.15213E+00 0.79045E+01
|
|
beta (00000045)=0.127653035729734E+02
|
|
gamma(00000045)=0.127653035729734E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 45
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000045)=0.000000000000000E+00
|
|
(calc=0.134072306591372E+02 read=0.134072306591372E+02)
|
|
Weight for this step=-.37375E-02 -.11348E+02
|
|
beta (00000046)=0.134072306591372E+02
|
|
gamma(00000046)=0.134072306591372E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 46
|
|
z1= 1 0.699088962063403E-01 0.000000000000000E+00
|
|
z1= 2 0.171631698367425E-07 0.000000000000000E+00
|
|
z1= 3 0.365421957649052E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000046)=0.000000000000000E+00
|
|
(calc=0.127671150895094E+02 read=0.127671150895094E+02)
|
|
Weight for this step=-.14418E+00 -.80801E+01
|
|
beta (00000047)=0.127671150895094E+02
|
|
gamma(00000047)=0.127671150895094E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 47
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000047)=0.000000000000000E+00
|
|
(calc=0.133557571069238E+02 read=0.133557571069238E+02)
|
|
Weight for this step=-.28346E-02 0.11503E+02
|
|
beta (00000048)=0.133557571069238E+02
|
|
gamma(00000048)=0.133557571069238E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 48
|
|
z1= 1 -.657697202050140E-01 0.000000000000000E+00
|
|
z1= 2 -.169263177519224E-07 0.000000000000000E+00
|
|
z1= 3 -.360485822769306E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000048)=0.000000000000000E+00
|
|
(calc=0.128436214001654E+02 read=0.128436214001654E+02)
|
|
Weight for this step=0.13682E+00 0.82877E+01
|
|
beta (00000049)=0.128436214001654E+02
|
|
gamma(00000049)=0.128436214001654E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 49
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000049)=0.000000000000000E+00
|
|
(calc=0.134358308295089E+02 read=0.134358308295089E+02)
|
|
Weight for this step=0.92758E-02 -.11539E+02
|
|
beta (00000050)=0.134358308295089E+02
|
|
gamma(00000050)=0.134358308295089E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 50
|
|
z1= 1 0.619290029441438E-01 0.000000000000000E+00
|
|
z1= 2 0.248484081167080E-07 0.000000000000000E+00
|
|
z1= 3 0.362231282321807E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000050)=0.000000000000000E+00
|
|
(calc=0.126967568416403E+02 read=0.126967568416403E+02)
|
|
Weight for this step=-.12948E+00 -.84847E+01
|
|
beta (00000051)=0.126967568416403E+02
|
|
gamma(00000051)=0.126967568416403E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 51
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000051)=0.000000000000000E+00
|
|
(calc=0.132891123293467E+02 read=0.132891123293467E+02)
|
|
Weight for this step=-.15823E-01 0.11774E+02
|
|
beta (00000052)=0.132891123293467E+02
|
|
gamma(00000052)=0.132891123293467E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 52
|
|
z1= 1 -.582333860549248E-01 0.000000000000000E+00
|
|
z1= 2 -.378424913974329E-07 0.000000000000000E+00
|
|
z1= 3 -.376054178413991E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000052)=0.000000000000000E+00
|
|
(calc=0.127443370501644E+02 read=0.127443370501644E+02)
|
|
Weight for this step=0.12204E+00 0.86864E+01
|
|
beta (00000053)=0.127443370501644E+02
|
|
gamma(00000053)=0.127443370501644E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 53
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000053)=0.000000000000000E+00
|
|
(calc=0.133131464409104E+02 read=0.133131464409104E+02)
|
|
Weight for this step=0.22087E-01 -.11831E+02
|
|
beta (00000054)=0.133131464409104E+02
|
|
gamma(00000054)=0.133131464409104E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 54
|
|
z1= 1 0.549111851559616E-01 0.000000000000000E+00
|
|
z1= 2 0.461414481267228E-07 0.000000000000000E+00
|
|
z1= 3 0.386736516825616E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000054)=0.000000000000000E+00
|
|
(calc=0.127443546610177E+02 read=0.127443546610177E+02)
|
|
Weight for this step=-.11486E+00 -.88970E+01
|
|
beta (00000055)=0.127443546610177E+02
|
|
gamma(00000055)=0.127443546610177E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 55
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000055)=0.000000000000000E+00
|
|
(calc=0.133785355807721E+02 read=0.133785355807721E+02)
|
|
Weight for this step=-.28274E-01 0.11902E+02
|
|
beta (00000056)=0.133785355807721E+02
|
|
gamma(00000056)=0.133785355807721E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 56
|
|
z1= 1 -.515459520943306E-01 0.000000000000000E+00
|
|
z1= 2 -.679827492494622E-07 0.000000000000000E+00
|
|
z1= 3 -.386984238694892E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000056)=0.000000000000000E+00
|
|
(calc=0.128320509799064E+02 read=0.128320509799064E+02)
|
|
Weight for this step=0.10714E+00 0.90576E+01
|
|
beta (00000057)=0.128320509799064E+02
|
|
gamma(00000057)=0.128320509799064E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 57
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000057)=0.000000000000000E+00
|
|
(calc=0.134459854309694E+02 read=0.134459854309694E+02)
|
|
Weight for this step=0.34237E-01 -.11947E+02
|
|
beta (00000058)=0.134459854309694E+02
|
|
gamma(00000058)=0.134459854309694E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 58
|
|
z1= 1 0.484730003324594E-01 0.000000000000000E+00
|
|
z1= 2 0.919850068614725E-07 0.000000000000000E+00
|
|
z1= 3 0.390154895056160E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000058)=0.000000000000000E+00
|
|
(calc=0.127464084135541E+02 read=0.127464084135541E+02)
|
|
Weight for this step=-.99691E-01 -.92256E+01
|
|
beta (00000059)=0.127464084135541E+02
|
|
gamma(00000059)=0.127464084135541E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 59
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000059)=0.000000000000000E+00
|
|
(calc=0.133328228271439E+02 read=0.133328228271439E+02)
|
|
Weight for this step=-.40512E-01 0.12128E+02
|
|
beta (00000060)=0.133328228271439E+02
|
|
gamma(00000060)=0.133328228271439E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 60
|
|
z1= 1 -.457059357858629E-01 0.000000000000000E+00
|
|
z1= 2 -.109054515946318E-06 0.000000000000000E+00
|
|
z1= 3 -.401171588826506E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000060)=0.000000000000000E+00
|
|
(calc=0.128405797787776E+02 read=0.128405797787776E+02)
|
|
Weight for this step=0.92408E-01 0.94153E+01
|
|
beta (00000061)=0.128405797787776E+02
|
|
gamma(00000061)=0.128405797787776E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 61
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000061)=0.000000000000000E+00
|
|
(calc=0.133760314900567E+02 read=0.133760314900567E+02)
|
|
Weight for this step=0.46043E-01 -.12113E+02
|
|
beta (00000062)=0.133760314900567E+02
|
|
gamma(00000062)=0.133760314900567E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 62
|
|
z1= 1 0.432735976409498E-01 0.000000000000000E+00
|
|
z1= 2 0.119604457324285E-06 0.000000000000000E+00
|
|
z1= 3 0.409826960902902E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000062)=0.000000000000000E+00
|
|
(calc=0.128441819570853E+02 read=0.128441819570853E+02)
|
|
Weight for this step=-.85550E-01 -.96312E+01
|
|
beta (00000063)=0.128441819570853E+02
|
|
gamma(00000063)=0.128441819570853E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 63
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000063)=0.000000000000000E+00
|
|
(calc=0.134459510950132E+02 read=0.134459510950132E+02)
|
|
Weight for this step=-.51560E-01 0.12124E+02
|
|
beta (00000064)=0.134459510950132E+02
|
|
gamma(00000064)=0.134459510950132E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 64
|
|
z1= 1 -.408083948244251E-01 0.000000000000000E+00
|
|
z1= 2 -.131299869132566E-06 0.000000000000000E+00
|
|
z1= 3 -.411239326868619E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000064)=0.000000000000000E+00
|
|
(calc=0.128237674446673E+02 read=0.128237674446673E+02)
|
|
Weight for this step=0.78309E-01 0.97904E+01
|
|
beta (00000065)=0.128237674446673E+02
|
|
gamma(00000065)=0.128237674446673E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 65
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000065)=0.000000000000000E+00
|
|
(calc=0.134804256863556E+02 read=0.134804256863556E+02)
|
|
Weight for this step=0.57295E-01 -.12213E+02
|
|
beta (00000066)=0.134804256863556E+02
|
|
gamma(00000066)=0.134804256863556E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 66
|
|
z1= 1 0.383599128533590E-01 0.000000000000000E+00
|
|
z1= 2 0.149659896592734E-06 0.000000000000000E+00
|
|
z1= 3 0.407150572080315E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000066)=0.000000000000000E+00
|
|
(calc=0.128621045629678E+02 read=0.128621045629678E+02)
|
|
Weight for this step=-.70806E-01 -.99065E+01
|
|
beta (00000067)=0.128621045629678E+02
|
|
gamma(00000067)=0.128621045629678E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 67
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000067)=0.000000000000000E+00
|
|
(calc=0.133881841148913E+02 read=0.133881841148913E+02)
|
|
Weight for this step=-.62883E-01 0.12296E+02
|
|
beta (00000068)=0.133881841148913E+02
|
|
gamma(00000068)=0.133881841148913E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 68
|
|
z1= 1 -.364110885210623E-01 0.000000000000000E+00
|
|
z1= 2 -.163525031293688E-06 0.000000000000000E+00
|
|
z1= 3 -.409185854252604E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000068)=0.000000000000000E+00
|
|
(calc=0.128152870789198E+02 read=0.128152870789198E+02)
|
|
Weight for this step=0.64031E-01 0.10118E+02
|
|
beta (00000069)=0.128152870789198E+02
|
|
gamma(00000069)=0.128152870789198E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 69
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000069)=0.000000000000000E+00
|
|
(calc=0.133445173694389E+02 read=0.133445173694389E+02)
|
|
Weight for this step=0.68175E-01 -.12328E+02
|
|
beta (00000070)=0.133445173694389E+02
|
|
gamma(00000070)=0.133445173694389E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 70
|
|
z1= 1 0.345808815868468E-01 0.000000000000000E+00
|
|
z1= 2 0.173594340459673E-06 0.000000000000000E+00
|
|
z1= 3 0.411957077036621E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000070)=0.000000000000000E+00
|
|
(calc=0.128069647934933E+02 read=0.128069647934933E+02)
|
|
Weight for this step=-.57224E-01 -.10322E+02
|
|
beta (00000071)=0.128069647934933E+02
|
|
gamma(00000071)=0.128069647934933E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 71
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000071)=0.000000000000000E+00
|
|
(calc=0.134042168562389E+02 read=0.134042168562389E+02)
|
|
Weight for this step=-.73156E-01 0.12318E+02
|
|
beta (00000072)=0.134042168562389E+02
|
|
gamma(00000072)=0.134042168562389E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 72
|
|
z1= 1 -.326965735084420E-01 0.000000000000000E+00
|
|
z1= 2 -.178560453403288E-06 0.000000000000000E+00
|
|
z1= 3 -.408650682143068E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000072)=0.000000000000000E+00
|
|
(calc=0.128627096044086E+02 read=0.128627096044086E+02)
|
|
Weight for this step=0.50182E-01 0.10464E+02
|
|
beta (00000073)=0.128627096044086E+02
|
|
gamma(00000073)=0.128627096044086E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 73
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000073)=0.000000000000000E+00
|
|
(calc=0.133230432815588E+02 read=0.133230432815588E+02)
|
|
Weight for this step=0.77976E-01 -.12304E+02
|
|
beta (00000074)=0.133230432815588E+02
|
|
gamma(00000074)=0.133230432815588E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 74
|
|
z1= 1 0.313034850138304E-01 0.000000000000000E+00
|
|
z1= 2 0.184907473136861E-06 0.000000000000000E+00
|
|
z1= 3 0.401747916617770E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000074)=0.000000000000000E+00
|
|
(calc=0.127141928431595E+02 read=0.127141928431595E+02)
|
|
Weight for this step=-.43694E-01 -.10707E+02
|
|
beta (00000075)=0.127141928431595E+02
|
|
gamma(00000075)=0.127141928431595E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 75
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000075)=0.000000000000000E+00
|
|
(calc=0.133868796839417E+02 read=0.133868796839417E+02)
|
|
Weight for this step=-.83117E-01 0.12342E+02
|
|
beta (00000076)=0.133868796839417E+02
|
|
gamma(00000076)=0.133868796839417E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 76
|
|
z1= 1 -.294635617187391E-01 0.000000000000000E+00
|
|
z1= 2 -.193991977012579E-06 0.000000000000000E+00
|
|
z1= 3 -.388508151522092E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000076)=0.000000000000000E+00
|
|
(calc=0.127641760123857E+02 read=0.127641760123857E+02)
|
|
Weight for this step=0.36512E-01 0.10772E+02
|
|
beta (00000077)=0.127641760123857E+02
|
|
gamma(00000077)=0.127641760123857E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 77
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000077)=0.000000000000000E+00
|
|
(calc=0.133755104004219E+02 read=0.133755104004219E+02)
|
|
Weight for this step=0.88201E-01 -.12392E+02
|
|
beta (00000078)=0.133755104004219E+02
|
|
gamma(00000078)=0.133755104004219E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 78
|
|
z1= 1 0.278745168460386E-01 0.000000000000000E+00
|
|
z1= 2 0.212422699508944E-06 0.000000000000000E+00
|
|
z1= 3 0.375631066757711E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000078)=0.000000000000000E+00
|
|
(calc=0.128262857218772E+02 read=0.128262857218772E+02)
|
|
Weight for this step=-.29600E-01 -.10886E+02
|
|
beta (00000079)=0.128262857218772E+02
|
|
gamma(00000079)=0.128262857218772E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 79
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000079)=0.000000000000000E+00
|
|
(calc=0.133316289379736E+02 read=0.133316289379736E+02)
|
|
Weight for this step=-.92639E-01 0.12367E+02
|
|
beta (00000080)=0.133316289379736E+02
|
|
gamma(00000080)=0.133316289379736E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 80
|
|
z1= 1 -.266559155780984E-01 0.000000000000000E+00
|
|
z1= 2 -.238117507457385E-06 0.000000000000000E+00
|
|
z1= 3 -.369276508401200E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000080)=0.000000000000000E+00
|
|
(calc=0.127857332877510E+02 read=0.127857332877510E+02)
|
|
Weight for this step=0.23002E-01 0.11081E+02
|
|
beta (00000081)=0.127857332877510E+02
|
|
gamma(00000081)=0.127857332877510E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 81
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000081)=0.000000000000000E+00
|
|
(calc=0.133994473968668E+02 read=0.133994473968668E+02)
|
|
Weight for this step=0.96906E-01 -.12328E+02
|
|
beta (00000082)=0.133994473968668E+02
|
|
gamma(00000082)=0.133994473968668E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 82
|
|
z1= 1 0.253064284142861E-01 0.000000000000000E+00
|
|
z1= 2 0.261380404619795E-06 0.000000000000000E+00
|
|
z1= 3 0.371455303559815E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000082)=0.000000000000000E+00
|
|
(calc=0.128397009602121E+02 read=0.128397009602121E+02)
|
|
Weight for this step=-.16294E-01 -.11175E+02
|
|
beta (00000083)=0.128397009602121E+02
|
|
gamma(00000083)=0.128397009602121E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 83
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000083)=0.000000000000000E+00
|
|
(calc=0.133717645673665E+02 read=0.133717645673665E+02)
|
|
Weight for this step=-.10109E+00 0.12295E+02
|
|
beta (00000084)=0.133717645673665E+02
|
|
gamma(00000084)=0.133717645673665E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 84
|
|
z1= 1 -.241730284748381E-01 0.000000000000000E+00
|
|
z1= 2 -.299696386524880E-06 0.000000000000000E+00
|
|
z1= 3 -.374374016104580E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000084)=0.000000000000000E+00
|
|
(calc=0.128117725606991E+02 read=0.128117725606991E+02)
|
|
Weight for this step=0.97774E-02 0.11333E+02
|
|
beta (00000085)=0.128117725606991E+02
|
|
gamma(00000085)=0.128117725606991E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 85
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000085)=0.000000000000000E+00
|
|
(calc=0.133218180294894E+02 read=0.133218180294894E+02)
|
|
Weight for this step=0.10512E+00 -.12254E+02
|
|
beta (00000086)=0.133218180294894E+02
|
|
gamma(00000086)=0.133218180294894E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 86
|
|
z1= 1 0.231490293142133E-01 0.000000000000000E+00
|
|
z1= 2 0.339228402274766E-06 0.000000000000000E+00
|
|
z1= 3 0.372596752148350E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000086)=0.000000000000000E+00
|
|
(calc=0.127545881229632E+02 read=0.127545881229632E+02)
|
|
Weight for this step=-.33177E-02 -.11501E+02
|
|
beta (00000087)=0.127545881229632E+02
|
|
gamma(00000087)=0.127545881229632E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 87
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000087)=0.000000000000000E+00
|
|
(calc=0.133435623731637E+02 read=0.133435623731637E+02)
|
|
Weight for this step=-.10907E+00 0.12208E+02
|
|
beta (00000088)=0.133435623731637E+02
|
|
gamma(00000088)=0.133435623731637E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 88
|
|
z1= 1 -.220542256993823E-01 0.000000000000000E+00
|
|
z1= 2 -.372447332871485E-06 0.000000000000000E+00
|
|
z1= 3 -.376408738842534E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000088)=0.000000000000000E+00
|
|
(calc=0.128929978347644E+02 read=0.128929978347644E+02)
|
|
Weight for this step=-.30943E-02 0.11592E+02
|
|
beta (00000089)=0.128929978347644E+02
|
|
gamma(00000089)=0.128929978347644E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 89
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000089)=0.000000000000000E+00
|
|
(calc=0.133924342711202E+02 read=0.133924342711202E+02)
|
|
Weight for this step=0.11182E+00 -.12047E+02
|
|
beta (00000090)=0.133924342711202E+02
|
|
gamma(00000090)=0.133924342711202E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 90
|
|
z1= 1 0.211832396067604E-01 0.000000000000000E+00
|
|
z1= 2 0.407698566206628E-06 0.000000000000000E+00
|
|
z1= 3 0.379785358992687E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000090)=0.000000000000000E+00
|
|
(calc=0.126659751874259E+02 read=0.126659751874259E+02)
|
|
Weight for this step=0.93441E-02 -.11749E+02
|
|
beta (00000091)=0.126659751874259E+02
|
|
gamma(00000091)=0.126659751874259E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 91
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000091)=0.000000000000000E+00
|
|
(calc=0.133458506592244E+02 read=0.133458506592244E+02)
|
|
Weight for this step=-.11683E+00 0.12130E+02
|
|
beta (00000092)=0.133458506592244E+02
|
|
gamma(00000092)=0.133458506592244E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 92
|
|
z1= 1 -.200863094562753E-01 0.000000000000000E+00
|
|
z1= 2 -.422209001283216E-06 0.000000000000000E+00
|
|
z1= 3 -.379739547237473E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000092)=0.000000000000000E+00
|
|
(calc=0.127909396681337E+02 read=0.127909396681337E+02)
|
|
Weight for this step=-.15507E-01 0.11745E+02
|
|
beta (00000093)=0.127909396681337E+02
|
|
gamma(00000093)=0.127909396681337E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 93
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000093)=0.000000000000000E+00
|
|
(calc=0.133461370256088E+02 read=0.133461370256088E+02)
|
|
Weight for this step=0.12018E+00 -.12055E+02
|
|
beta (00000094)=0.133461370256088E+02
|
|
gamma(00000094)=0.133461370256088E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 94
|
|
z1= 1 0.192789146028386E-01 0.000000000000000E+00
|
|
z1= 2 0.451995666492667E-06 0.000000000000000E+00
|
|
z1= 3 0.381795591011726E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000094)=0.000000000000000E+00
|
|
(calc=0.127865790820774E+02 read=0.127865790820774E+02)
|
|
Weight for this step=0.21660E-01 -.11848E+02
|
|
beta (00000095)=0.127865790820774E+02
|
|
gamma(00000095)=0.127865790820774E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 95
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000095)=0.000000000000000E+00
|
|
(calc=0.133901013045594E+02 read=0.133901013045594E+02)
|
|
Weight for this step=-.12341E+00 0.11976E+02
|
|
beta (00000096)=0.133901013045594E+02
|
|
gamma(00000096)=0.133901013045594E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 96
|
|
z1= 1 -.184169131545688E-01 0.000000000000000E+00
|
|
z1= 2 -.478292122980690E-06 0.000000000000000E+00
|
|
z1= 3 -.382151120809874E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000096)=0.000000000000000E+00
|
|
(calc=0.127921043564931E+02 read=0.127921043564931E+02)
|
|
Weight for this step=-.27611E-01 0.11899E+02
|
|
beta (00000097)=0.127921043564931E+02
|
|
gamma(00000097)=0.127921043564931E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 97
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000097)=0.000000000000000E+00
|
|
(calc=0.134509416191960E+02 read=0.134509416191960E+02)
|
|
Weight for this step=0.12683E+00 -.11927E+02
|
|
beta (00000098)=0.134509416191960E+02
|
|
gamma(00000098)=0.134509416191960E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 98
|
|
z1= 1 0.175090571805012E-01 0.000000000000000E+00
|
|
z1= 2 0.494523929528640E-06 0.000000000000000E+00
|
|
z1= 3 0.373427974641042E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000098)=0.000000000000000E+00
|
|
(calc=0.130150727959673E+02 read=0.130150727959673E+02)
|
|
Weight for this step=0.33318E-01 -.11897E+02
|
|
beta (00000099)=0.130150727959673E+02
|
|
gamma(00000099)=0.130150727959673E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 99
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000099)=0.000000000000000E+00
|
|
(calc=0.136149108908864E+02 read=0.136149108908864E+02)
|
|
Weight for this step=-.12849E+00 0.11729E+02
|
|
beta (00000100)=0.136149108908864E+02
|
|
gamma(00000100)=0.136149108908864E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 100
|
|
z1= 1 -.167546599094435E-01 0.000000000000000E+00
|
|
z1= 2 -.515944896707730E-06 0.000000000000000E+00
|
|
z1= 3 -.363981079026690E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000100)=0.000000000000000E+00
|
|
(calc=0.127969559962275E+02 read=0.127969559962275E+02)
|
|
Weight for this step=-.38889E-01 0.11937E+02
|
|
beta (00000101)=0.127969559962275E+02
|
|
gamma(00000101)=0.127969559962275E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 101
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000101)=0.000000000000000E+00
|
|
(calc=0.132882480514421E+02 read=0.132882480514421E+02)
|
|
Weight for this step=0.13378E+00 -.11868E+02
|
|
beta (00000102)=0.132882480514421E+02
|
|
gamma(00000102)=0.132882480514421E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 102
|
|
z1= 1 0.161797853175664E-01 0.000000000000000E+00
|
|
z1= 2 0.541037899586417E-06 0.000000000000000E+00
|
|
z1= 3 0.353270947228576E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000102)=0.000000000000000E+00
|
|
(calc=0.128815690606503E+02 read=0.128815690606503E+02)
|
|
Weight for this step=0.44935E-01 -.12080E+02
|
|
beta (00000103)=0.128815690606503E+02
|
|
gamma(00000103)=0.128815690606503E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 103
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000103)=0.000000000000000E+00
|
|
(calc=0.134147767602552E+02 read=0.134147767602552E+02)
|
|
Weight for this step=-.13478E+00 0.11628E+02
|
|
beta (00000104)=0.134147767602552E+02
|
|
gamma(00000104)=0.134147767602552E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 104
|
|
z1= 1 -.156273509690295E-01 0.000000000000000E+00
|
|
z1= 2 -.562747698651216E-06 0.000000000000000E+00
|
|
z1= 3 -.336098349603341E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000104)=0.000000000000000E+00
|
|
(calc=0.128778633941098E+02 read=0.128778633941098E+02)
|
|
Weight for this step=-.50593E-01 0.12167E+02
|
|
beta (00000105)=0.128778633941098E+02
|
|
gamma(00000105)=0.128778633941098E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 105
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000105)=0.000000000000000E+00
|
|
(calc=0.132659013390477E+02 read=0.132659013390477E+02)
|
|
Weight for this step=0.13689E+00 -.11495E+02
|
|
beta (00000106)=0.132659013390477E+02
|
|
gamma(00000106)=0.132659013390477E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 106
|
|
z1= 1 0.152718966176220E-01 0.000000000000000E+00
|
|
z1= 2 0.593543796829302E-06 0.000000000000000E+00
|
|
z1= 3 0.327044875926921E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000106)=0.000000000000000E+00
|
|
(calc=0.126949465550008E+02 read=0.126949465550008E+02)
|
|
Weight for this step=0.56734E-01 -.12379E+02
|
|
beta (00000107)=0.126949465550008E+02
|
|
gamma(00000107)=0.126949465550008E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 107
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000107)=0.000000000000000E+00
|
|
(calc=0.133395812580347E+02 read=0.133395812580347E+02)
|
|
Weight for this step=-.13914E+00 0.11373E+02
|
|
beta (00000108)=0.133395812580347E+02
|
|
gamma(00000108)=0.133395812580347E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 108
|
|
z1= 1 -.145899325244997E-01 0.000000000000000E+00
|
|
z1= 2 -.620122297296860E-06 0.000000000000000E+00
|
|
z1= 3 -.308050886246007E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000108)=0.000000000000000E+00
|
|
(calc=0.128482756775422E+02 read=0.128482756775422E+02)
|
|
Weight for this step=-.61673E-01 0.12338E+02
|
|
beta (00000109)=0.128482756775422E+02
|
|
gamma(00000109)=0.128482756775422E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 109
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000109)=0.000000000000000E+00
|
|
(calc=0.133217660866958E+02 read=0.133217660866958E+02)
|
|
Weight for this step=0.14036E+00 -.11180E+02
|
|
beta (00000110)=0.133217660866958E+02
|
|
gamma(00000110)=0.133217660866958E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 110
|
|
z1= 1 0.141244534499666E-01 0.000000000000000E+00
|
|
z1= 2 0.654443013286101E-06 0.000000000000000E+00
|
|
z1= 3 0.283682922115136E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000110)=0.000000000000000E+00
|
|
(calc=0.126967122960627E+02 read=0.126967122960627E+02)
|
|
Weight for this step=0.67217E-01 -.12449E+02
|
|
beta (00000111)=0.126967122960627E+02
|
|
gamma(00000111)=0.126967122960627E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 111
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000111)=0.000000000000000E+00
|
|
(calc=0.135206893788410E+02 read=0.135206893788410E+02)
|
|
Weight for this step=-.14282E+00 0.11088E+02
|
|
beta (00000112)=0.135206893788410E+02
|
|
gamma(00000112)=0.135206893788410E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 112
|
|
z1= 1 -.133226919265497E-01 0.000000000000000E+00
|
|
z1= 2 -.682140455631397E-06 0.000000000000000E+00
|
|
z1= 3 -.256899064049357E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000112)=0.000000000000000E+00
|
|
(calc=0.129787488450375E+02 read=0.129787488450375E+02)
|
|
Weight for this step=-.70855E-01 0.12227E+02
|
|
beta (00000113)=0.129787488450375E+02
|
|
gamma(00000113)=0.129787488450375E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 113
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000113)=0.000000000000000E+00
|
|
(calc=0.134371970739290E+02 read=0.134371970739290E+02)
|
|
Weight for this step=0.14427E+00 -.10935E+02
|
|
beta (00000114)=0.134371970739290E+02
|
|
gamma(00000114)=0.134371970739290E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 114
|
|
z1= 1 0.129009766881108E-01 0.000000000000000E+00
|
|
z1= 2 0.730484093333129E-06 0.000000000000000E+00
|
|
z1= 3 0.244673875214249E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000114)=0.000000000000000E+00
|
|
(calc=0.127033501149243E+02 read=0.127033501149243E+02)
|
|
Weight for this step=0.76280E-01 -.12343E+02
|
|
beta (00000115)=0.127033501149243E+02
|
|
gamma(00000115)=0.127033501149243E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 115
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000115)=0.000000000000000E+00
|
|
(calc=0.135069835315474E+02 read=0.135069835315474E+02)
|
|
Weight for this step=-.14770E+00 0.10930E+02
|
|
beta (00000116)=0.135069835315474E+02
|
|
gamma(00000116)=0.135069835315474E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 116
|
|
z1= 1 -.122153982732531E-01 0.000000000000000E+00
|
|
z1= 2 -.761271567508446E-06 0.000000000000000E+00
|
|
z1= 3 -.219950388937341E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000116)=0.000000000000000E+00
|
|
(calc=0.127083381806927E+02 read=0.127083381806927E+02)
|
|
Weight for this step=-.79709E-01 0.12138E+02
|
|
beta (00000117)=0.127083381806927E+02
|
|
gamma(00000117)=0.127083381806927E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 117
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000117)=0.000000000000000E+00
|
|
(calc=0.132506528564081E+02 read=0.132506528564081E+02)
|
|
Weight for this step=0.15193E+00 -.10992E+02
|
|
beta (00000118)=0.132506528564081E+02
|
|
gamma(00000118)=0.132506528564081E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 118
|
|
z1= 1 0.118296558816171E-01 0.000000000000000E+00
|
|
z1= 2 0.814191366080991E-06 0.000000000000000E+00
|
|
z1= 3 0.200055966118680E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000118)=0.000000000000000E+00
|
|
(calc=0.127948306212576E+02 read=0.127948306212576E+02)
|
|
Weight for this step=0.84782E-01 -.12184E+02
|
|
beta (00000119)=0.127948306212576E+02
|
|
gamma(00000119)=0.127948306212576E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 119
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000119)=0.000000000000000E+00
|
|
(calc=0.133198404294845E+02 read=0.133198404294845E+02)
|
|
Weight for this step=-.15205E+00 0.10760E+02
|
|
beta (00000120)=0.133198404294845E+02
|
|
gamma(00000120)=0.133198404294845E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 120
|
|
z1= 1 -.114614482339868E-01 0.000000000000000E+00
|
|
z1= 2 -.855740453520239E-06 0.000000000000000E+00
|
|
z1= 3 -.179737052205726E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000120)=0.000000000000000E+00
|
|
(calc=0.125251007130107E+02 read=0.125251007130107E+02)
|
|
Weight for this step=-.89720E-01 0.12233E+02
|
|
beta (00000121)=0.125251007130107E+02
|
|
gamma(00000121)=0.125251007130107E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 121
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000121)=0.000000000000000E+00
|
|
(calc=0.131931003578598E+02 read=0.131931003578598E+02)
|
|
Weight for this step=0.15603E+00 -.10804E+02
|
|
beta (00000122)=0.131931003578598E+02
|
|
gamma(00000122)=0.131931003578598E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 122
|
|
z1= 1 0.109867078190985E-01 0.000000000000000E+00
|
|
z1= 2 0.883526422909304E-06 0.000000000000000E+00
|
|
z1= 3 0.157090489706364E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000122)=0.000000000000000E+00
|
|
(calc=0.127053182443001E+02 read=0.127053182443001E+02)
|
|
Weight for this step=0.93738E-01 -.12150E+02
|
|
beta (00000123)=0.127053182443001E+02
|
|
gamma(00000123)=0.127053182443001E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 123
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000123)=0.000000000000000E+00
|
|
(calc=0.133819590475111E+02 read=0.133819590475111E+02)
|
|
Weight for this step=-.15623E+00 0.10592E+02
|
|
beta (00000124)=0.133819590475111E+02
|
|
gamma(00000124)=0.133819590475111E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 124
|
|
z1= 1 -.105063040023175E-01 0.000000000000000E+00
|
|
z1= 2 -.911038637253694E-06 0.000000000000000E+00
|
|
z1= 3 -.145399384780137E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000124)=0.000000000000000E+00
|
|
(calc=0.126842069771290E+02 read=0.126842069771290E+02)
|
|
Weight for this step=-.97432E-01 0.12053E+02
|
|
beta (00000125)=0.126842069771290E+02
|
|
gamma(00000125)=0.126842069771290E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 125
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000125)=0.000000000000000E+00
|
|
(calc=0.133805656187695E+02 read=0.133805656187695E+02)
|
|
Weight for this step=0.15885E+00 -.10553E+02
|
|
beta (00000126)=0.133805656187695E+02
|
|
gamma(00000126)=0.133805656187695E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 126
|
|
z1= 1 0.100407198121749E-01 0.000000000000000E+00
|
|
z1= 2 0.935575094093959E-06 0.000000000000000E+00
|
|
z1= 3 0.130505171088650E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000126)=0.000000000000000E+00
|
|
(calc=0.128061217983270E+02 read=0.128061217983270E+02)
|
|
Weight for this step=0.10092E+00 -.11942E+02
|
|
beta (00000127)=0.128061217983270E+02
|
|
gamma(00000127)=0.128061217983270E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 127
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000127)=0.000000000000000E+00
|
|
(calc=0.132907873463496E+02 read=0.132907873463496E+02)
|
|
Weight for this step=-.15989E+00 0.10416E+02
|
|
beta (00000128)=0.132907873463496E+02
|
|
gamma(00000128)=0.132907873463496E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 128
|
|
z1= 1 -.973654736399135E-02 0.000000000000000E+00
|
|
z1= 2 -.975651045347255E-06 0.000000000000000E+00
|
|
z1= 3 -.109019815336284E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000128)=0.000000000000000E+00
|
|
(calc=0.127747979824044E+02 read=0.127747979824044E+02)
|
|
Weight for this step=-.10590E+00 0.12020E+02
|
|
beta (00000129)=0.127747979824044E+02
|
|
gamma(00000129)=0.127747979824044E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 129
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000129)=0.000000000000000E+00
|
|
(calc=0.132951221093815E+02 read=0.132951221093815E+02)
|
|
Weight for this step=0.15998E+00 -.10221E+02
|
|
beta (00000130)=0.132951221093815E+02
|
|
gamma(00000130)=0.132951221093815E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 130
|
|
z1= 1 0.941458437386726E-02 0.000000000000000E+00
|
|
z1= 2 0.100437098483723E-05 0.000000000000000E+00
|
|
z1= 3 0.921019464286059E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000130)=0.000000000000000E+00
|
|
(calc=0.127446368980114E+02 read=0.127446368980114E+02)
|
|
Weight for this step=0.11040E+00 -.12053E+02
|
|
beta (00000131)=0.127446368980114E+02
|
|
gamma(00000131)=0.127446368980114E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 131
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000131)=0.000000000000000E+00
|
|
(calc=0.131433389165322E+02 read=0.131433389165322E+02)
|
|
Weight for this step=-.16027E+00 0.10043E+02
|
|
beta (00000132)=0.131433389165322E+02
|
|
gamma(00000132)=0.131433389165322E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 132
|
|
z1= 1 -.917800668191584E-02 0.000000000000000E+00
|
|
z1= 2 -.103247825174874E-05 0.000000000000000E+00
|
|
z1= 3 -.716475946918539E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000132)=0.000000000000000E+00
|
|
(calc=0.127576275649699E+02 read=0.127576275649699E+02)
|
|
Weight for this step=-.11580E+00 0.12187E+02
|
|
beta (00000133)=0.127576275649699E+02
|
|
gamma(00000133)=0.127576275649699E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 133
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000133)=0.000000000000000E+00
|
|
(calc=0.134670373804933E+02 read=0.134670373804933E+02)
|
|
Weight for this step=0.15822E+00 -.97215E+01
|
|
beta (00000134)=0.134670373804933E+02
|
|
gamma(00000134)=0.134670373804933E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 134
|
|
z1= 1 0.869346845310137E-02 0.000000000000000E+00
|
|
z1= 2 0.102849041815935E-05 0.000000000000000E+00
|
|
z1= 3 0.501359931347504E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000134)=0.000000000000000E+00
|
|
(calc=0.127762111987481E+02 read=0.127762111987481E+02)
|
|
Weight for this step=0.11811E+00 -.12018E+02
|
|
beta (00000135)=0.127762111987481E+02
|
|
gamma(00000135)=0.127762111987481E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 135
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000135)=0.000000000000000E+00
|
|
(calc=0.134260196816553E+02 read=0.134260196816553E+02)
|
|
Weight for this step=-.15978E+00 0.96314E+01
|
|
beta (00000136)=0.134260196816553E+02
|
|
gamma(00000136)=0.134260196816553E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 136
|
|
z1= 1 -.830308344190589E-02 0.000000000000000E+00
|
|
z1= 2 -.102584942082967E-05 0.000000000000000E+00
|
|
z1= 3 -.283153749147756E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000136)=0.000000000000000E+00
|
|
(calc=0.129114181695599E+02 read=0.129114181695599E+02)
|
|
Weight for this step=-.12090E+00 0.11906E+02
|
|
beta (00000137)=0.129114181695599E+02
|
|
gamma(00000137)=0.129114181695599E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 137
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000137)=0.000000000000000E+00
|
|
(calc=0.133836378132805E+02 read=0.133836378132805E+02)
|
|
Weight for this step=0.15910E+00 -.94117E+01
|
|
beta (00000138)=0.133836378132805E+02
|
|
gamma(00000138)=0.133836378132805E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 138
|
|
z1= 1 0.809066839462529E-02 0.000000000000000E+00
|
|
z1= 2 0.103366758851236E-05 0.000000000000000E+00
|
|
z1= 3 0.214075210767310E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000138)=0.000000000000000E+00
|
|
(calc=0.129445301041632E+02 read=0.129445301041632E+02)
|
|
Weight for this step=0.12512E+00 -.11946E+02
|
|
beta (00000139)=0.129445301041632E+02
|
|
gamma(00000139)=0.129445301041632E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 139
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000139)=0.000000000000000E+00
|
|
(calc=0.135470945933053E+02 read=0.135470945933053E+02)
|
|
Weight for this step=-.15724E+00 0.91268E+01
|
|
beta (00000140)=0.135470945933053E+02
|
|
gamma(00000140)=0.135470945933053E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 140
|
|
z1= 1 -.782221861698094E-02 0.000000000000000E+00
|
|
z1= 2 -.103780122764560E-05 0.000000000000000E+00
|
|
z1= 3 0.153757342759601E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000140)=0.000000000000000E+00
|
|
(calc=0.127278500681737E+02 read=0.127278500681737E+02)
|
|
Weight for this step=-.12783E+00 0.11856E+02
|
|
beta (00000141)=0.127278500681737E+02
|
|
gamma(00000141)=0.127278500681737E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 141
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000141)=0.000000000000000E+00
|
|
(calc=0.134909225403750E+02 read=0.134909225403750E+02)
|
|
Weight for this step=0.15986E+00 -.91046E+01
|
|
beta (00000142)=0.134909225403750E+02
|
|
gamma(00000142)=0.134909225403750E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 142
|
|
z1= 1 0.747257450415641E-02 0.000000000000000E+00
|
|
z1= 2 0.103219084342894E-05 0.000000000000000E+00
|
|
z1= 3 -.426115503923685E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000142)=0.000000000000000E+00
|
|
(calc=0.127388156043148E+02 read=0.127388156043148E+02)
|
|
Weight for this step=0.12903E+00 -.11627E+02
|
|
beta (00000143)=0.127388156043148E+02
|
|
gamma(00000143)=0.127388156043148E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 143
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000143)=0.000000000000000E+00
|
|
(calc=0.134409861488023E+02 read=0.134409861488023E+02)
|
|
Weight for this step=-.16175E+00 0.90446E+01
|
|
beta (00000144)=0.134409861488023E+02
|
|
gamma(00000144)=0.134409861488023E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 144
|
|
z1= 1 -.714987006675110E-02 0.000000000000000E+00
|
|
z1= 2 -.103565575159965E-05 0.000000000000000E+00
|
|
z1= 3 0.747142200744396E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000144)=0.000000000000000E+00
|
|
(calc=0.129263380082070E+02 read=0.129263380082070E+02)
|
|
Weight for this step=-.13084E+00 0.11460E+02
|
|
beta (00000145)=0.129263380082070E+02
|
|
gamma(00000145)=0.129263380082070E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 145
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000145)=0.000000000000000E+00
|
|
(calc=0.133955227296483E+02 read=0.133955227296483E+02)
|
|
Weight for this step=0.16068E+00 -.88244E+01
|
|
beta (00000146)=0.133955227296483E+02
|
|
gamma(00000146)=0.133955227296483E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 146
|
|
z1= 1 0.694930825541806E-02 0.000000000000000E+00
|
|
z1= 2 0.105951586620119E-05 0.000000000000000E+00
|
|
z1= 3 -.106382370202709E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000146)=0.000000000000000E+00
|
|
(calc=0.128294771867733E+02 read=0.128294771867733E+02)
|
|
Weight for this step=0.13477E+00 -.11490E+02
|
|
beta (00000147)=0.128294771867733E+02
|
|
gamma(00000147)=0.128294771867733E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 147
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000147)=0.000000000000000E+00
|
|
(calc=0.136375187426128E+02 read=0.136375187426128E+02)
|
|
Weight for this step=-.16000E+00 0.86275E+01
|
|
beta (00000148)=0.136375187426128E+02
|
|
gamma(00000148)=0.136375187426128E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 148
|
|
z1= 1 -.656968419148941E-02 0.000000000000000E+00
|
|
z1= 2 -.105905023126737E-05 0.000000000000000E+00
|
|
z1= 3 0.143453457142687E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000148)=0.000000000000000E+00
|
|
(calc=0.127203052168230E+02 read=0.127203052168230E+02)
|
|
Weight for this step=-.13509E+00 0.11223E+02
|
|
beta (00000149)=0.127203052168230E+02
|
|
gamma(00000149)=0.127203052168230E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 149
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000149)=0.000000000000000E+00
|
|
(calc=0.135407487783685E+02 read=0.135407487783685E+02)
|
|
Weight for this step=0.16370E+00 -.86721E+01
|
|
beta (00000150)=0.135407487783685E+02
|
|
gamma(00000150)=0.135407487783685E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 150
|
|
z1= 1 0.618142103555483E-02 0.000000000000000E+00
|
|
z1= 2 0.106239929381548E-05 0.000000000000000E+00
|
|
z1= 3 -.176432842718000E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000150)=0.000000000000000E+00
|
|
(calc=0.126679065104762E+02 read=0.126679065104762E+02)
|
|
Weight for this step=0.13546E+00 -.10962E+02
|
|
beta (00000151)=0.126679065104762E+02
|
|
gamma(00000151)=0.126679065104762E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 151
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000151)=0.000000000000000E+00
|
|
(calc=0.134957587978244E+02 read=0.134957587978244E+02)
|
|
Weight for this step=-.16712E+00 0.87032E+01
|
|
beta (00000152)=0.134957587978244E+02
|
|
gamma(00000152)=0.134957587978244E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 152
|
|
z1= 1 -.579872160442296E-02 0.000000000000000E+00
|
|
z1= 2 -.105917501270472E-05 0.000000000000000E+00
|
|
z1= 3 0.207604477457245E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000152)=0.000000000000000E+00
|
|
(calc=0.125471928444096E+02 read=0.125471928444096E+02)
|
|
Weight for this step=-.13590E+00 0.10712E+02
|
|
beta (00000153)=0.125471928444096E+02
|
|
gamma(00000153)=0.125471928444096E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 153
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000153)=0.000000000000000E+00
|
|
(calc=0.132884914183278E+02 read=0.132884914183278E+02)
|
|
Weight for this step=0.17181E+00 -.88023E+01
|
|
beta (00000154)=0.132884914183278E+02
|
|
gamma(00000154)=0.132884914183278E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 154
|
|
z1= 1 0.545208339904904E-02 0.000000000000000E+00
|
|
z1= 2 0.105819184725723E-05 0.000000000000000E+00
|
|
z1= 3 -.241470418045934E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000154)=0.000000000000000E+00
|
|
(calc=0.128413090273545E+02 read=0.128413090273545E+02)
|
|
Weight for this step=0.13745E+00 -.10548E+02
|
|
beta (00000155)=0.128413090273545E+02
|
|
gamma(00000155)=0.128413090273545E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 155
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000155)=0.000000000000000E+00
|
|
(calc=0.133879531090786E+02 read=0.133879531090786E+02)
|
|
Weight for this step=-.16996E+00 0.85711E+01
|
|
beta (00000156)=0.133879531090786E+02
|
|
gamma(00000156)=0.133879531090786E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 156
|
|
z1= 1 -.518970398994723E-02 0.000000000000000E+00
|
|
z1= 2 -.107590853699359E-05 0.000000000000000E+00
|
|
z1= 3 0.269791300672021E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000156)=0.000000000000000E+00
|
|
(calc=0.128086763473672E+02 read=0.128086763473672E+02)
|
|
Weight for this step=-.14079E+00 0.10536E+02
|
|
beta (00000157)=0.128086763473672E+02
|
|
gamma(00000157)=0.128086763473672E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 157
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000157)=0.000000000000000E+00
|
|
(calc=0.135343392043371E+02 read=0.135343392043371E+02)
|
|
Weight for this step=0.16963E+00 -.84203E+01
|
|
beta (00000158)=0.135343392043371E+02
|
|
gamma(00000158)=0.135343392043371E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 158
|
|
z1= 1 0.482101765308390E-02 0.000000000000000E+00
|
|
z1= 2 0.107946488651163E-05 0.000000000000000E+00
|
|
z1= 3 -.298248007092757E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000158)=0.000000000000000E+00
|
|
(calc=0.127047571216248E+02 read=0.127047571216248E+02)
|
|
Weight for this step=0.14206E+00 -.10379E+02
|
|
beta (00000159)=0.127047571216248E+02
|
|
gamma(00000159)=0.127047571216248E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 159
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000159)=0.000000000000000E+00
|
|
(calc=0.132659520731535E+02 read=0.132659520731535E+02)
|
|
Weight for this step=-.17257E+00 0.84354E+01
|
|
beta (00000160)=0.132659520731535E+02
|
|
gamma(00000160)=0.132659520731535E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 160
|
|
z1= 1 -.451833137400098E-02 0.000000000000000E+00
|
|
z1= 2 -.108928754226963E-05 0.000000000000000E+00
|
|
z1= 3 0.326014265772411E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000160)=0.000000000000000E+00
|
|
(calc=0.125635444847843E+02 read=0.125635444847843E+02)
|
|
Weight for this step=-.14521E+00 0.10356E+02
|
|
beta (00000161)=0.125635444847843E+02
|
|
gamma(00000161)=0.125635444847843E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 161
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000161)=0.000000000000000E+00
|
|
(calc=0.133039650048178E+02 read=0.133039650048178E+02)
|
|
Weight for this step=0.17383E+00 -.83674E+01
|
|
beta (00000162)=0.133039650048178E+02
|
|
gamma(00000162)=0.133039650048178E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 162
|
|
z1= 1 0.422989393475103E-02 0.000000000000000E+00
|
|
z1= 2 0.107237096824784E-05 0.000000000000000E+00
|
|
z1= 3 -.341090419795948E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000162)=0.000000000000000E+00
|
|
(calc=0.127494976945611E+02 read=0.127494976945611E+02)
|
|
Weight for this step=0.14631E+00 -.10191E+02
|
|
beta (00000163)=0.127494976945611E+02
|
|
gamma(00000163)=0.127494976945611E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 163
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000163)=0.000000000000000E+00
|
|
(calc=0.131751220732392E+02 read=0.131751220732392E+02)
|
|
Weight for this step=-.17308E+00 0.82081E+01
|
|
beta (00000164)=0.131751220732392E+02
|
|
gamma(00000164)=0.131751220732392E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 164
|
|
z1= 1 -.411021181557778E-02 0.000000000000000E+00
|
|
z1= 2 -.107932415821434E-05 0.000000000000000E+00
|
|
z1= 3 0.358723656630386E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000164)=0.000000000000000E+00
|
|
(calc=0.126038858528184E+02 read=0.126038858528184E+02)
|
|
Weight for this step=-.15080E+00 0.10270E+02
|
|
beta (00000165)=0.126038858528184E+02
|
|
gamma(00000165)=0.126038858528184E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 165
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000165)=0.000000000000000E+00
|
|
(calc=0.134358651607230E+02 read=0.134358651607230E+02)
|
|
Weight for this step=0.17227E+00 -.80467E+01
|
|
beta (00000166)=0.134358651607230E+02
|
|
gamma(00000166)=0.134358651607230E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 166
|
|
z1= 1 0.389743633616330E-02 0.000000000000000E+00
|
|
z1= 2 0.106351651334526E-05 0.000000000000000E+00
|
|
z1= 3 -.363840099681196E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000166)=0.000000000000000E+00
|
|
(calc=0.127184531182956E+02 read=0.127184531182956E+02)
|
|
Weight for this step=0.15046E+00 -.10026E+02
|
|
beta (00000167)=0.127184531182956E+02
|
|
gamma(00000167)=0.127184531182956E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 167
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000167)=0.000000000000000E+00
|
|
(calc=0.134466491370528E+02 read=0.134466491370528E+02)
|
|
Weight for this step=-.17346E+00 0.79846E+01
|
|
beta (00000168)=0.134466491370528E+02
|
|
gamma(00000168)=0.134466491370528E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 168
|
|
z1= 1 -.379394926791080E-02 0.000000000000000E+00
|
|
z1= 2 -.106860606759532E-05 0.000000000000000E+00
|
|
z1= 3 0.375198667663533E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000168)=0.000000000000000E+00
|
|
(calc=0.127723830797894E+02 read=0.127723830797894E+02)
|
|
Weight for this step=-.15135E+00 0.98716E+01
|
|
beta (00000169)=0.127723830797894E+02
|
|
gamma(00000169)=0.127723830797894E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 169
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000169)=0.000000000000000E+00
|
|
(calc=0.132923299457340E+02 read=0.132923299457340E+02)
|
|
Weight for this step=0.17409E+00 -.79002E+01
|
|
beta (00000170)=0.132923299457340E+02
|
|
gamma(00000170)=0.132923299457340E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 170
|
|
z1= 1 0.375431419177870E-02 0.000000000000000E+00
|
|
z1= 2 0.108192136032614E-05 0.000000000000000E+00
|
|
z1= 3 -.391418672889303E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000170)=0.000000000000000E+00
|
|
(calc=0.127568537653709E+02 read=0.127568537653709E+02)
|
|
Weight for this step=0.15459E+00 -.98745E+01
|
|
beta (00000171)=0.127568537653709E+02
|
|
gamma(00000171)=0.127568537653709E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 171
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000171)=0.000000000000000E+00
|
|
(calc=0.133681844730715E+02 read=0.133681844730715E+02)
|
|
Weight for this step=-.17269E+00 0.77252E+01
|
|
beta (00000172)=0.133681844730715E+02
|
|
gamma(00000172)=0.133681844730715E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 172
|
|
z1= 1 -.371251517757455E-02 0.000000000000000E+00
|
|
z1= 2 -.108819798577816E-05 0.000000000000000E+00
|
|
z1= 3 0.411347411132380E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000172)=0.000000000000000E+00
|
|
(calc=0.127960390998196E+02 read=0.127960390998196E+02)
|
|
Weight for this step=-.15656E+00 0.98012E+01
|
|
beta (00000173)=0.127960390998196E+02
|
|
gamma(00000173)=0.127960390998196E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 173
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000173)=0.000000000000000E+00
|
|
(calc=0.134741880298252E+02 read=0.134741880298252E+02)
|
|
Weight for this step=0.17163E+00 -.75692E+01
|
|
beta (00000174)=0.134741880298252E+02
|
|
gamma(00000174)=0.134741880298252E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 174
|
|
z1= 1 0.357091419553455E-02 0.000000000000000E+00
|
|
z1= 2 0.109239864556866E-05 0.000000000000000E+00
|
|
z1= 3 -.421277122127886E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000174)=0.000000000000000E+00
|
|
(calc=0.128361165145557E+02 read=0.128361165145557E+02)
|
|
Weight for this step=0.15758E+00 -.96756E+01
|
|
beta (00000175)=0.128361165145557E+02
|
|
gamma(00000175)=0.128361165145557E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 175
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000175)=0.000000000000000E+00
|
|
(calc=0.133955756800338E+02 read=0.133955756800338E+02)
|
|
Weight for this step=-.17138E+00 0.74520E+01
|
|
beta (00000176)=0.133955756800338E+02
|
|
gamma(00000176)=0.133955756800338E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 176
|
|
z1= 1 -.335490482848328E-02 0.000000000000000E+00
|
|
z1= 2 -.110311873687419E-05 0.000000000000000E+00
|
|
z1= 3 0.437563654393229E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000176)=0.000000000000000E+00
|
|
(calc=0.127371839828646E+02 read=0.127371839828646E+02)
|
|
Weight for this step=-.15993E+00 0.96357E+01
|
|
beta (00000177)=0.127371839828646E+02
|
|
gamma(00000177)=0.127371839828646E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 177
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000177)=0.000000000000000E+00
|
|
(calc=0.133609363693625E+02 read=0.133609363693625E+02)
|
|
Weight for this step=0.17126E+00 -.73420E+01
|
|
beta (00000178)=0.133609363693625E+02
|
|
gamma(00000178)=0.133609363693625E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 178
|
|
z1= 1 0.312197134721187E-02 0.000000000000000E+00
|
|
z1= 2 0.111885663447043E-05 0.000000000000000E+00
|
|
z1= 3 -.455377773094499E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000178)=0.000000000000000E+00
|
|
(calc=0.126228630753695E+02 read=0.126228630753695E+02)
|
|
Weight for this step=0.16140E+00 -.95455E+01
|
|
beta (00000179)=0.126228630753695E+02
|
|
gamma(00000179)=0.126228630753695E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 179
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000179)=0.000000000000000E+00
|
|
(calc=0.134189381208145E+02 read=0.134189381208145E+02)
|
|
Weight for this step=-.17215E+00 0.72763E+01
|
|
beta (00000180)=0.134189381208145E+02
|
|
gamma(00000180)=0.134189381208145E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 180
|
|
z1= 1 -.280502188068698E-02 0.000000000000000E+00
|
|
z1= 2 -.111731527885871E-05 0.000000000000000E+00
|
|
z1= 3 0.470827569548724E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000180)=0.000000000000000E+00
|
|
(calc=0.127642282345104E+02 read=0.127642282345104E+02)
|
|
Weight for this step=-.16077E+00 0.93342E+01
|
|
beta (00000181)=0.127642282345104E+02
|
|
gamma(00000181)=0.127642282345104E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 181
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000181)=0.000000000000000E+00
|
|
(calc=0.134409127238685E+02 read=0.134409127238685E+02)
|
|
Weight for this step=0.17200E+00 -.71709E+01
|
|
beta (00000182)=0.134409127238685E+02
|
|
gamma(00000182)=0.134409127238685E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 182
|
|
z1= 1 0.252767765172751E-02 0.000000000000000E+00
|
|
z1= 2 0.112233211982003E-05 0.000000000000000E+00
|
|
z1= 3 -.495709351968591E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000182)=0.000000000000000E+00
|
|
(calc=0.128179004212276E+02 read=0.128179004212276E+02)
|
|
Weight for this step=0.16158E+00 -.92135E+01
|
|
beta (00000183)=0.128179004212276E+02
|
|
gamma(00000183)=0.128179004212276E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 183
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000183)=0.000000000000000E+00
|
|
(calc=0.135090365151892E+02 read=0.135090365151892E+02)
|
|
Weight for this step=-.17139E+00 0.70489E+01
|
|
beta (00000184)=0.135090365151892E+02
|
|
gamma(00000184)=0.135090365151892E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 184
|
|
z1= 1 -.229155380707699E-02 0.000000000000000E+00
|
|
z1= 2 -.111688186402777E-05 0.000000000000000E+00
|
|
z1= 3 0.506289451474397E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000184)=0.000000000000000E+00
|
|
(calc=0.129152290750697E+02 read=0.129152290750697E+02)
|
|
Weight for this step=-.16214E+00 0.90837E+01
|
|
beta (00000185)=0.129152290750697E+02
|
|
gamma(00000185)=0.129152290750697E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 185
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000185)=0.000000000000000E+00
|
|
(calc=0.133109436733325E+02 read=0.133109436733325E+02)
|
|
Weight for this step=0.17035E+00 -.69126E+01
|
|
beta (00000186)=0.133109436733325E+02
|
|
gamma(00000186)=0.133109436733325E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 186
|
|
z1= 1 0.208356679327469E-02 0.000000000000000E+00
|
|
z1= 2 0.113063285546791E-05 0.000000000000000E+00
|
|
z1= 3 -.524520215690712E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000186)=0.000000000000000E+00
|
|
(calc=0.127266818667874E+02 read=0.127266818667874E+02)
|
|
Weight for this step=0.16622E+00 -.91536E+01
|
|
beta (00000187)=0.127266818667874E+02
|
|
gamma(00000187)=0.127266818667874E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 187
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000187)=0.000000000000000E+00
|
|
(calc=0.134537848794894E+02 read=0.134537848794894E+02)
|
|
Weight for this step=-.16890E+00 0.67592E+01
|
|
beta (00000188)=0.134537848794894E+02
|
|
gamma(00000188)=0.134537848794894E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 188
|
|
z1= 1 -.185792183623537E-02 0.000000000000000E+00
|
|
z1= 2 -.110250647209474E-05 0.000000000000000E+00
|
|
z1= 3 0.531931530495304E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000188)=0.000000000000000E+00
|
|
(calc=0.129513195527258E+02 read=0.129513195527258E+02)
|
|
Weight for this step=-.16596E+00 0.89877E+01
|
|
beta (00000189)=0.129513195527258E+02
|
|
gamma(00000189)=0.129513195527258E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 189
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000189)=0.000000000000000E+00
|
|
(calc=0.137067215286686E+02 read=0.137067215286686E+02)
|
|
Weight for this step=0.16637E+00 -.65671E+01
|
|
beta (00000190)=0.137067215286686E+02
|
|
gamma(00000190)=0.137067215286686E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 190
|
|
z1= 1 0.163467287576130E-02 0.000000000000000E+00
|
|
z1= 2 0.107499524158120E-05 0.000000000000000E+00
|
|
z1= 3 -.531449173196154E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000190)=0.000000000000000E+00
|
|
(calc=0.128651968884116E+02 read=0.128651968884116E+02)
|
|
Weight for this step=0.16524E+00 -.88060E+01
|
|
beta (00000191)=0.128651968884116E+02
|
|
gamma(00000191)=0.128651968884116E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 191
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000191)=0.000000000000000E+00
|
|
(calc=0.134373766820750E+02 read=0.134373766820750E+02)
|
|
Weight for this step=-.16816E+00 0.65487E+01
|
|
beta (00000192)=0.134373766820750E+02
|
|
gamma(00000192)=0.134373766820750E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 192
|
|
z1= 1 -.143882185332284E-02 0.000000000000000E+00
|
|
z1= 2 -.105886850888456E-05 0.000000000000000E+00
|
|
z1= 3 0.542010971587350E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000192)=0.000000000000000E+00
|
|
(calc=0.127839119588456E+02 read=0.127839119588456E+02)
|
|
Weight for this step=-.16688E+00 0.87500E+01
|
|
beta (00000193)=0.127839119588456E+02
|
|
gamma(00000193)=0.127839119588456E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 193
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000193)=0.000000000000000E+00
|
|
(calc=0.131981251531839E+02 read=0.131981251531839E+02)
|
|
Weight for this step=0.16753E+00 -.64354E+01
|
|
beta (00000194)=0.131981251531839E+02
|
|
gamma(00000194)=0.131981251531839E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 194
|
|
z1= 1 0.131545235360777E-02 0.000000000000000E+00
|
|
z1= 2 0.105305416555094E-05 0.000000000000000E+00
|
|
z1= 3 -.554355806928729E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000194)=0.000000000000000E+00
|
|
(calc=0.126839745775896E+02 read=0.126839745775896E+02)
|
|
Weight for this step=0.17044E+00 -.87946E+01
|
|
beta (00000195)=0.126839745775896E+02
|
|
gamma(00000195)=0.126839745775896E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 195
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000195)=0.000000000000000E+00
|
|
(calc=0.133139834830163E+02 read=0.133139834830163E+02)
|
|
Weight for this step=-.16483E+00 0.62424E+01
|
|
beta (00000196)=0.133139834830163E+02
|
|
gamma(00000196)=0.133139834830163E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 196
|
|
z1= 1 -.121591283901509E-02 0.000000000000000E+00
|
|
z1= 2 -.102930249793560E-05 0.000000000000000E+00
|
|
z1= 3 0.558466701815544E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000196)=0.000000000000000E+00
|
|
(calc=0.126079509475032E+02 read=0.126079509475032E+02)
|
|
Weight for this step=-.17095E+00 0.86853E+01
|
|
beta (00000197)=0.126079509475032E+02
|
|
gamma(00000197)=0.126079509475032E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 197
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000197)=0.000000000000000E+00
|
|
(calc=0.136343158091605E+02 read=0.136343158091605E+02)
|
|
Weight for this step=0.16450E+00 -.61410E+01
|
|
beta (00000198)=0.136343158091605E+02
|
|
gamma(00000198)=0.136343158091605E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 198
|
|
z1= 1 0.114353515645789E-02 0.000000000000000E+00
|
|
z1= 2 0.981641408036435E-06 0.000000000000000E+00
|
|
z1= 3 -.543802321765596E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000198)=0.000000000000000E+00
|
|
(calc=0.126706191309363E+02 read=0.126706191309363E+02)
|
|
Weight for this step=0.16643E+00 -.83263E+01
|
|
beta (00000199)=0.126706191309363E+02
|
|
gamma(00000199)=0.126706191309363E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 199
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000199)=0.000000000000000E+00
|
|
(calc=0.134978593621574E+02 read=0.134978593621574E+02)
|
|
Weight for this step=-.16775E+00 0.61779E+01
|
|
beta (00000200)=0.134978593621574E+02
|
|
gamma(00000200)=0.134978593621574E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 200
|
|
z1= 1 -.113911411985839E-02 0.000000000000000E+00
|
|
z1= 2 -.955346051703264E-06 0.000000000000000E+00
|
|
z1= 3 0.546105423315075E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000200)=0.000000000000000E+00
|
|
(calc=0.126143078226329E+02 read=0.126143078226329E+02)
|
|
Weight for this step=-.16482E+00 0.81156E+01
|
|
beta (00000201)=0.126143078226329E+02
|
|
gamma(00000201)=0.126143078226329E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 201
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000201)=0.000000000000000E+00
|
|
(calc=0.133826748513058E+02 read=0.133826748513058E+02)
|
|
Weight for this step=0.17030E+00 -.61895E+01
|
|
beta (00000202)=0.133826748513058E+02
|
|
gamma(00000202)=0.133826748513058E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 202
|
|
z1= 1 0.113984829697640E-02 0.000000000000000E+00
|
|
z1= 2 0.927114220534899E-06 0.000000000000000E+00
|
|
z1= 3 -.550789200271364E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000202)=0.000000000000000E+00
|
|
(calc=0.127737791908955E+02 read=0.127737791908955E+02)
|
|
Weight for this step=0.16415E+00 -.79524E+01
|
|
beta (00000203)=0.127737791908955E+02
|
|
gamma(00000203)=0.127737791908955E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 203
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000203)=0.000000000000000E+00
|
|
(calc=0.135575564890144E+02 read=0.135575564890144E+02)
|
|
Weight for this step=-.16939E+00 0.60770E+01
|
|
beta (00000204)=0.135575564890144E+02
|
|
gamma(00000204)=0.135575564890144E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 204
|
|
z1= 1 -.112061632640548E-02 0.000000000000000E+00
|
|
z1= 2 -.896360847984536E-06 0.000000000000000E+00
|
|
z1= 3 0.552426030503265E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000204)=0.000000000000000E+00
|
|
(calc=0.128450514362886E+02 read=0.128450514362886E+02)
|
|
Weight for this step=-.16329E+00 0.77861E+01
|
|
beta (00000205)=0.128450514362886E+02
|
|
gamma(00000205)=0.128450514362886E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 205
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000205)=0.000000000000000E+00
|
|
(calc=0.134791529765032E+02 read=0.134791529765032E+02)
|
|
Weight for this step=0.16986E+00 -.60173E+01
|
|
beta (00000206)=0.134791529765032E+02
|
|
gamma(00000206)=0.134791529765032E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 206
|
|
z1= 1 0.117517379904983E-02 0.000000000000000E+00
|
|
z1= 2 0.883319222565182E-06 0.000000000000000E+00
|
|
z1= 3 -.563918251377741E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000206)=0.000000000000000E+00
|
|
(calc=0.127620257968271E+02 read=0.127620257968271E+02)
|
|
Weight for this step=0.16430E+00 -.77120E+01
|
|
beta (00000207)=0.127620257968271E+02
|
|
gamma(00000207)=0.127620257968271E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 207
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000207)=0.000000000000000E+00
|
|
(calc=0.133839143377821E+02 read=0.133839143377821E+02)
|
|
Weight for this step=-.17037E+00 0.59599E+01
|
|
beta (00000208)=0.133839143377821E+02
|
|
gamma(00000208)=0.133839143377821E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 208
|
|
z1= 1 -.125141545621655E-02 0.000000000000000E+00
|
|
z1= 2 -.878531473391501E-06 0.000000000000000E+00
|
|
z1= 3 0.574961863397834E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000208)=0.000000000000000E+00
|
|
(calc=0.126288027754579E+02 read=0.126288027754579E+02)
|
|
Weight for this step=-.16544E+00 0.76452E+01
|
|
beta (00000209)=0.126288027754579E+02
|
|
gamma(00000209)=0.126288027754579E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 209
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000209)=0.000000000000000E+00
|
|
(calc=0.135242431178511E+02 read=0.135242431178511E+02)
|
|
Weight for this step=0.17138E+00 -.59200E+01
|
|
beta (00000210)=0.135242431178511E+02
|
|
gamma(00000210)=0.135242431178511E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 210
|
|
z1= 1 0.133343583494327E-02 0.000000000000000E+00
|
|
z1= 2 0.873678503602454E-06 0.000000000000000E+00
|
|
z1= 3 -.570953538855706E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000210)=0.000000000000000E+00
|
|
(calc=0.126503383251568E+02 read=0.126503383251568E+02)
|
|
Weight for this step=0.16322E+00 -.74255E+01
|
|
beta (00000211)=0.126503383251568E+02
|
|
gamma(00000211)=0.126503383251568E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 211
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000211)=0.000000000000000E+00
|
|
(calc=0.135864455717396E+02 read=0.135864455717396E+02)
|
|
Weight for this step=-.17418E+00 0.59447E+01
|
|
beta (00000212)=0.135864455717396E+02
|
|
gamma(00000212)=0.135864455717396E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 212
|
|
z1= 1 -.134116145421016E-02 0.000000000000000E+00
|
|
z1= 2 -.865496757003655E-06 0.000000000000000E+00
|
|
z1= 3 0.565657256031398E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000212)=0.000000000000000E+00
|
|
(calc=0.126859780805401E+02 read=0.126859780805401E+02)
|
|
Weight for this step=-.16081E+00 0.72003E+01
|
|
beta (00000213)=0.126859780805401E+02
|
|
gamma(00000213)=0.126859780805401E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 213
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000213)=0.000000000000000E+00
|
|
(calc=0.134727118487149E+02 read=0.134727118487149E+02)
|
|
Weight for this step=0.17768E+00 -.59952E+01
|
|
beta (00000214)=0.134727118487149E+02
|
|
gamma(00000214)=0.134727118487149E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 214
|
|
z1= 1 0.124204621259663E-02 0.000000000000000E+00
|
|
z1= 2 0.850026841560381E-06 0.000000000000000E+00
|
|
z1= 3 -.570084573563352E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000214)=0.000000000000000E+00
|
|
(calc=0.125567710475452E+02 read=0.125567710475452E+02)
|
|
Weight for this step=0.16049E+00 -.70711E+01
|
|
beta (00000215)=0.125567710475452E+02
|
|
gamma(00000215)=0.125567710475452E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 215
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000215)=0.000000000000000E+00
|
|
(calc=0.132488407992983E+02 read=0.132488407992983E+02)
|
|
Weight for this step=-.18171E+00 0.60639E+01
|
|
beta (00000216)=0.132488407992983E+02
|
|
gamma(00000216)=0.132488407992983E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 216
|
|
z1= 1 -.111926534567439E-02 0.000000000000000E+00
|
|
z1= 2 -.851692033702542E-06 0.000000000000000E+00
|
|
z1= 3 0.573702861172498E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000216)=0.000000000000000E+00
|
|
(calc=0.124624285870993E+02 read=0.124624285870993E+02)
|
|
Weight for this step=-.16155E+00 0.70013E+01
|
|
beta (00000217)=0.124624285870993E+02
|
|
gamma(00000217)=0.124624285870993E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 217
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000217)=0.000000000000000E+00
|
|
(calc=0.136513087249418E+02 read=0.136513087249418E+02)
|
|
Weight for this step=0.18413E+00 -.60788E+01
|
|
beta (00000218)=0.136513087249418E+02
|
|
gamma(00000218)=0.136513087249418E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 218
|
|
z1= 1 0.927133309596425E-03 0.000000000000000E+00
|
|
z1= 2 0.828441397940360E-06 0.000000000000000E+00
|
|
z1= 3 -.552086111015688E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000218)=0.000000000000000E+00
|
|
(calc=0.127274171756467E+02 read=0.127274171756467E+02)
|
|
Weight for this step=0.15675E+00 -.66831E+01
|
|
beta (00000219)=0.127274171756467E+02
|
|
gamma(00000219)=0.127274171756467E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 219
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000219)=0.000000000000000E+00
|
|
(calc=0.134287316112827E+02 read=0.134287316112827E+02)
|
|
Weight for this step=-.18891E+00 0.61763E+01
|
|
beta (00000220)=0.134287316112827E+02
|
|
gamma(00000220)=0.134287316112827E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 220
|
|
z1= 1 -.776937897958834E-03 0.000000000000000E+00
|
|
z1= 2 -.850435106803174E-06 0.000000000000000E+00
|
|
z1= 3 0.552314499213473E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000220)=0.000000000000000E+00
|
|
(calc=0.127703385230753E+02 read=0.127703385230753E+02)
|
|
Weight for this step=-.15823E+00 0.66351E+01
|
|
beta (00000221)=0.127703385230753E+02
|
|
gamma(00000221)=0.127703385230753E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 221
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000221)=0.000000000000000E+00
|
|
(calc=0.132933852392960E+02 read=0.132933852392960E+02)
|
|
Weight for this step=0.19002E+00 -.61547E+01
|
|
beta (00000222)=0.132933852392960E+02
|
|
gamma(00000222)=0.132933852392960E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 222
|
|
z1= 1 0.620793139703533E-03 0.000000000000000E+00
|
|
z1= 2 0.872603414170045E-06 0.000000000000000E+00
|
|
z1= 3 -.564776487906190E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000222)=0.000000000000000E+00
|
|
(calc=0.128282662010717E+02 read=0.128282662010717E+02)
|
|
Weight for this step=0.16183E+00 -.66771E+01
|
|
beta (00000223)=0.128282662010717E+02
|
|
gamma(00000223)=0.128282662010717E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 223
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000223)=0.000000000000000E+00
|
|
(calc=0.132058851683286E+02 read=0.132058851683286E+02)
|
|
Weight for this step=-.18813E+00 0.60371E+01
|
|
beta (00000224)=0.132058851683286E+02
|
|
gamma(00000224)=0.132058851683286E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 224
|
|
z1= 1 -.430502528952067E-03 0.000000000000000E+00
|
|
z1= 2 -.910033572316601E-06 0.000000000000000E+00
|
|
z1= 3 0.581363414216295E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000224)=0.000000000000000E+00
|
|
(calc=0.129770284465301E+02 read=0.129770284465301E+02)
|
|
Weight for this step=-.16698E+00 0.67854E+01
|
|
beta (00000225)=0.129770284465301E+02
|
|
gamma(00000225)=0.129770284465301E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 225
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000225)=0.000000000000000E+00
|
|
(calc=0.133541678455374E+02 read=0.133541678455374E+02)
|
|
Weight for this step=0.18250E+00 -.58013E+01
|
|
beta (00000226)=0.133541678455374E+02
|
|
gamma(00000226)=0.133541678455374E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 226
|
|
z1= 1 0.236359807282170E-03 0.000000000000000E+00
|
|
z1= 2 0.944396300966988E-06 0.000000000000000E+00
|
|
z1= 3 -.599137290043590E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000226)=0.000000000000000E+00
|
|
(calc=0.128225177301424E+02 read=0.128225177301424E+02)
|
|
Weight for this step=0.17165E+00 -.68781E+01
|
|
beta (00000227)=0.128225177301424E+02
|
|
gamma(00000227)=0.128225177301424E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 227
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000227)=0.000000000000000E+00
|
|
(calc=0.135109032782034E+02 read=0.135109032782034E+02)
|
|
Weight for this step=-.18077E+00 0.56907E+01
|
|
beta (00000228)=0.135109032782034E+02
|
|
gamma(00000228)=0.135109032782034E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 228
|
|
z1= 1 -.768143767972554E-04 0.000000000000000E+00
|
|
z1= 2 -.953992358885755E-06 0.000000000000000E+00
|
|
z1= 3 0.599081158057216E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000228)=0.000000000000000E+00
|
|
(calc=0.127024305611170E+02 read=0.127024305611170E+02)
|
|
Weight for this step=-.17208E+00 0.68034E+01
|
|
beta (00000229)=0.127024305611170E+02
|
|
gamma(00000229)=0.127024305611170E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 229
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000229)=0.000000000000000E+00
|
|
(calc=0.134491685566602E+02 read=0.134491685566602E+02)
|
|
Weight for this step=0.18287E+00 -.57024E+01
|
|
beta (00000230)=0.134491685566602E+02
|
|
gamma(00000230)=0.134491685566602E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 230
|
|
z1= 1 -.456238715347496E-04 0.000000000000000E+00
|
|
z1= 2 0.972373499379120E-06 0.000000000000000E+00
|
|
z1= 3 -.599324632430094E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000230)=0.000000000000000E+00
|
|
(calc=0.129123583256806E+02 read=0.129123583256806E+02)
|
|
Weight for this step=0.17185E+00 -.67032E+01
|
|
beta (00000231)=0.129123583256806E+02
|
|
gamma(00000231)=0.129123583256806E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 231
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000231)=0.000000000000000E+00
|
|
(calc=0.137268118423163E+02 read=0.137268118423163E+02)
|
|
Weight for this step=-.18124E+00 0.55996E+01
|
|
beta (00000232)=0.137268118423163E+02
|
|
gamma(00000232)=0.137268118423163E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 232
|
|
z1= 1 0.113549625719299E-03 0.000000000000000E+00
|
|
z1= 2 -.987279831889468E-06 0.000000000000000E+00
|
|
z1= 3 0.598239286623620E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000232)=0.000000000000000E+00
|
|
(calc=0.127781226981588E+02 read=0.127781226981588E+02)
|
|
Weight for this step=-.17071E+00 0.65725E+01
|
|
beta (00000233)=0.127781226981588E+02
|
|
gamma(00000233)=0.127781226981588E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 233
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000233)=0.000000000000000E+00
|
|
(calc=0.133503640232404E+02 read=0.133503640232404E+02)
|
|
Weight for this step=0.18544E+00 -.56787E+01
|
|
beta (00000234)=0.133503640232404E+02
|
|
gamma(00000234)=0.133503640232404E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 234
|
|
z1= 1 -.180167775299335E-03 0.000000000000000E+00
|
|
z1= 2 0.100947541557643E-05 0.000000000000000E+00
|
|
z1= 3 -.616492567146924E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000234)=0.000000000000000E+00
|
|
(calc=0.125912037225209E+02 read=0.125912037225209E+02)
|
|
Weight for this step=0.17291E+00 -.65692E+01
|
|
beta (00000235)=0.125912037225209E+02
|
|
gamma(00000235)=0.125912037225209E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 235
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000235)=0.000000000000000E+00
|
|
(calc=0.133931145870886E+02 read=0.133931145870886E+02)
|
|
Weight for this step=-.18711E+00 0.56795E+01
|
|
beta (00000236)=0.133931145870886E+02
|
|
gamma(00000236)=0.133931145870886E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 236
|
|
z1= 1 0.213843106794772E-03 0.000000000000000E+00
|
|
z1= 2 -.102198524602661E-05 0.000000000000000E+00
|
|
z1= 3 0.618473620253503E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000236)=0.000000000000000E+00
|
|
(calc=0.128915709648554E+02 read=0.128915709648554E+02)
|
|
Weight for this step=-.17212E+00 0.64534E+01
|
|
beta (00000237)=0.128915709648554E+02
|
|
gamma(00000237)=0.128915709648554E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 237
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000237)=0.000000000000000E+00
|
|
(calc=0.135197347771400E+02 read=0.135197347771400E+02)
|
|
Weight for this step=0.18515E+00 -.55728E+01
|
|
beta (00000238)=0.135197347771400E+02
|
|
gamma(00000238)=0.135197347771400E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 238
|
|
z1= 1 -.247563404130971E-03 0.000000000000000E+00
|
|
z1= 2 0.104532226517275E-05 0.000000000000000E+00
|
|
z1= 3 -.624751022326373E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000238)=0.000000000000000E+00
|
|
(calc=0.127636417953653E+02 read=0.127636417953653E+02)
|
|
Weight for this step=0.17350E+00 -.64234E+01
|
|
beta (00000239)=0.127636417953653E+02
|
|
gamma(00000239)=0.127636417953653E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 239
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000239)=0.000000000000000E+00
|
|
(calc=0.133597456736146E+02 read=0.133597456736146E+02)
|
|
Weight for this step=-.18671E+00 0.55735E+01
|
|
beta (00000240)=0.133597456736146E+02
|
|
gamma(00000240)=0.133597456736146E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 240
|
|
z1= 1 0.255364305983827E-03 0.000000000000000E+00
|
|
z1= 2 -.108161162759362E-05 0.000000000000000E+00
|
|
z1= 3 0.638990187844658E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000240)=0.000000000000000E+00
|
|
(calc=0.127491189689346E+02 read=0.127491189689346E+02)
|
|
Weight for this step=-.17533E+00 0.64099E+01
|
|
beta (00000241)=0.127491189689346E+02
|
|
gamma(00000241)=0.127491189689346E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 241
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000241)=0.000000000000000E+00
|
|
(calc=0.134029067770379E+02 read=0.134029067770379E+02)
|
|
Weight for this step=0.18615E+00 -.55114E+01
|
|
beta (00000242)=0.134029067770379E+02
|
|
gamma(00000242)=0.134029067770379E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 242
|
|
z1= 1 -.217590215512890E-03 0.000000000000000E+00
|
|
z1= 2 0.110526645249890E-05 0.000000000000000E+00
|
|
z1= 3 -.643587884528100E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000242)=0.000000000000000E+00
|
|
(calc=0.128892970215508E+02 read=0.128892970215508E+02)
|
|
Weight for this step=0.17628E+00 -.63664E+01
|
|
beta (00000243)=0.128892970215508E+02
|
|
gamma(00000243)=0.128892970215508E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 243
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000243)=0.000000000000000E+00
|
|
(calc=0.135139908791647E+02 read=0.135139908791647E+02)
|
|
Weight for this step=-.18412E+00 0.54077E+01
|
|
beta (00000244)=0.135139908791647E+02
|
|
gamma(00000244)=0.135139908791647E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 244
|
|
z1= 1 0.176715163058954E-03 0.000000000000000E+00
|
|
z1= 2 -.113487006900368E-05 0.000000000000000E+00
|
|
z1= 3 0.646963887364219E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000244)=0.000000000000000E+00
|
|
(calc=0.125465565044629E+02 read=0.125465565044629E+02)
|
|
Weight for this step=-.17745E+00 0.63340E+01
|
|
beta (00000245)=0.125465565044629E+02
|
|
gamma(00000245)=0.125465565044629E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 245
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000245)=0.000000000000000E+00
|
|
(calc=0.130511096565475E+02 read=0.130511096565475E+02)
|
|
Weight for this step=0.18856E+00 -.54942E+01
|
|
beta (00000246)=0.130511096565475E+02
|
|
gamma(00000246)=0.130511096565475E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 246
|
|
z1= 1 -.687562975012924E-04 0.000000000000000E+00
|
|
z1= 2 0.118720817330817E-05 0.000000000000000E+00
|
|
z1= 3 -.669074717059813E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000246)=0.000000000000000E+00
|
|
(calc=0.125672166216960E+02 read=0.125672166216960E+02)
|
|
Weight for this step=0.18047E+00 -.63647E+01
|
|
beta (00000247)=0.125672166216960E+02
|
|
gamma(00000247)=0.125672166216960E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 247
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000247)=0.000000000000000E+00
|
|
(calc=0.133322010065832E+02 read=0.133322010065832E+02)
|
|
Weight for this step=-.18591E+00 0.53742E+01
|
|
beta (00000248)=0.133322010065832E+02
|
|
gamma(00000248)=0.133322010065832E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 248
|
|
z1= 1 -.265855779817228E-04 0.000000000000000E+00
|
|
z1= 2 -.121479055689667E-05 0.000000000000000E+00
|
|
z1= 3 0.681585116935524E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000248)=0.000000000000000E+00
|
|
(calc=0.127880890405297E+02 read=0.127880890405297E+02)
|
|
Weight for this step=-.17964E+00 0.62633E+01
|
|
beta (00000249)=0.127880890405297E+02
|
|
gamma(00000249)=0.127880890405297E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 249
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000249)=0.000000000000000E+00
|
|
(calc=0.134565553007533E+02 read=0.134565553007533E+02)
|
|
Weight for this step=0.18414E+00 -.52823E+01
|
|
beta (00000250)=0.134565553007533E+02
|
|
gamma(00000250)=0.134565553007533E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 250
|
|
z1= 1 0.128714655375224E-03 0.000000000000000E+00
|
|
z1= 2 0.126106313341583E-05 0.000000000000000E+00
|
|
z1= 3 -.694971007484248E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000250)=0.000000000000000E+00
|
|
(calc=0.125503578341436E+02 read=0.125503578341436E+02)
|
|
Weight for this step=0.18007E+00 -.62092E+01
|
|
beta (00000251)=0.125503578341436E+02
|
|
gamma(00000251)=0.125503578341436E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 251
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000251)=0.000000000000000E+00
|
|
(calc=0.132840485165938E+02 read=0.132840485165938E+02)
|
|
Weight for this step=-.18754E+00 0.53399E+01
|
|
beta (00000252)=0.132840485165938E+02
|
|
gamma(00000252)=0.132840485165938E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 252
|
|
z1= 1 -.179183404497101E-03 0.000000000000000E+00
|
|
z1= 2 -.129198898079705E-05 0.000000000000000E+00
|
|
z1= 3 0.714225997706409E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000252)=0.000000000000000E+00
|
|
(calc=0.129336344933673E+02 read=0.129336344933673E+02)
|
|
Weight for this step=-.17977E+00 0.61293E+01
|
|
beta (00000253)=0.129336344933673E+02
|
|
gamma(00000253)=0.129336344933673E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 253
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000253)=0.000000000000000E+00
|
|
(calc=0.135149055562963E+02 read=0.135149055562963E+02)
|
|
Weight for this step=0.18305E+00 -.51743E+01
|
|
beta (00000254)=0.135149055562963E+02
|
|
gamma(00000254)=0.135149055562963E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 254
|
|
z1= 1 0.150891841739855E-03 0.000000000000000E+00
|
|
z1= 2 0.133249794851808E-05 0.000000000000000E+00
|
|
z1= 3 -.735237230809133E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000254)=0.000000000000000E+00
|
|
(calc=0.128019264727368E+02 read=0.128019264727368E+02)
|
|
Weight for this step=0.18128E+00 -.61163E+01
|
|
beta (00000255)=0.128019264727368E+02
|
|
gamma(00000255)=0.128019264727368E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 255
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000255)=0.000000000000000E+00
|
|
(calc=0.136716635613044E+02 read=0.136716635613044E+02)
|
|
Weight for this step=-.18350E+00 0.51498E+01
|
|
beta (00000256)=0.136716635613044E+02
|
|
gamma(00000256)=0.136716635613044E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 256
|
|
z1= 1 -.136961296730704E-03 0.000000000000000E+00
|
|
z1= 2 -.132756300001962E-05 0.000000000000000E+00
|
|
z1= 3 0.740095829824107E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000256)=0.000000000000000E+00
|
|
(calc=0.128300167466652E+02 read=0.128300167466652E+02)
|
|
Weight for this step=-.17891E+00 0.59738E+01
|
|
beta (00000257)=0.128300167466652E+02
|
|
gamma(00000257)=0.128300167466652E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 257
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000257)=0.000000000000000E+00
|
|
(calc=0.134221769871968E+02 read=0.134221769871968E+02)
|
|
Weight for this step=0.18594E+00 -.51828E+01
|
|
beta (00000258)=0.134221769871968E+02
|
|
gamma(00000258)=0.134221769871968E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 258
|
|
z1= 1 0.138208485808052E-03 0.000000000000000E+00
|
|
z1= 2 0.134505375033733E-05 0.000000000000000E+00
|
|
z1= 3 -.763117093451342E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000258)=0.000000000000000E+00
|
|
(calc=0.130324506658008E+02 read=0.130324506658008E+02)
|
|
Weight for this step=0.18048E+00 -.59630E+01
|
|
beta (00000259)=0.130324506658008E+02
|
|
gamma(00000259)=0.130324506658008E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 259
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000259)=0.000000000000000E+00
|
|
(calc=0.135340662295567E+02 read=0.135340662295567E+02)
|
|
Weight for this step=-.18198E+00 0.50383E+01
|
|
beta (00000260)=0.135340662295567E+02
|
|
gamma(00000260)=0.135340662295567E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 260
|
|
z1= 1 -.927788765640526E-04 0.000000000000000E+00
|
|
z1= 2 -.136540499718479E-05 0.000000000000000E+00
|
|
z1= 3 0.786495671597533E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000260)=0.000000000000000E+00
|
|
(calc=0.127717179711288E+02 read=0.127717179711288E+02)
|
|
Weight for this step=-.18296E+00 0.59857E+01
|
|
beta (00000261)=0.127717179711288E+02
|
|
gamma(00000261)=0.127717179711288E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 261
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000261)=0.000000000000000E+00
|
|
(calc=0.133221305937690E+02 read=0.133221305937690E+02)
|
|
Weight for this step=0.18300E+00 -.50323E+01
|
|
beta (00000262)=0.133221305937690E+02
|
|
gamma(00000262)=0.133221305937690E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 262
|
|
z1= 1 0.478723208799893E-04 0.000000000000000E+00
|
|
z1= 2 0.139451889845724E-05 0.000000000000000E+00
|
|
z1= 3 -.808548213449120E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000262)=0.000000000000000E+00
|
|
(calc=0.126369438532460E+02 read=0.126369438532460E+02)
|
|
Weight for this step=0.18477E+00 -.59856E+01
|
|
beta (00000263)=0.126369438532460E+02
|
|
gamma(00000263)=0.126369438532460E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 263
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000263)=0.000000000000000E+00
|
|
(calc=0.132587176270206E+02 read=0.132587176270206E+02)
|
|
Weight for this step=-.18288E+00 0.49951E+01
|
|
beta (00000264)=0.132587176270206E+02
|
|
gamma(00000264)=0.132587176270206E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 264
|
|
z1= 1 -.455658322307505E-05 0.000000000000000E+00
|
|
z1= 2 -.141371746315185E-05 0.000000000000000E+00
|
|
z1= 3 0.832726922536550E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000264)=0.000000000000000E+00
|
|
(calc=0.127327473213858E+02 read=0.127327473213858E+02)
|
|
Weight for this step=-.18551E+00 0.59515E+01
|
|
beta (00000265)=0.127327473213858E+02
|
|
gamma(00000265)=0.127327473213858E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 265
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000265)=0.000000000000000E+00
|
|
(calc=0.134480107619529E+02 read=0.134480107619529E+02)
|
|
Weight for this step=0.18043E+00 -.48955E+01
|
|
beta (00000266)=0.134480107619529E+02
|
|
gamma(00000266)=0.134480107619529E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 266
|
|
z1= 1 0.648813969970907E-05 0.000000000000000E+00
|
|
z1= 2 0.143362690442888E-05 0.000000000000000E+00
|
|
z1= 3 -.847669821928745E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000266)=0.000000000000000E+00
|
|
(calc=0.127991040505564E+02 read=0.127991040505564E+02)
|
|
Weight for this step=0.18479E+00 -.58732E+01
|
|
beta (00000267)=0.127991040505564E+02
|
|
gamma(00000267)=0.127991040505564E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 267
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000267)=0.000000000000000E+00
|
|
(calc=0.133509673966330E+02 read=0.133509673966330E+02)
|
|
Weight for this step=-.17966E+00 0.48433E+01
|
|
beta (00000268)=0.133509673966330E+02
|
|
gamma(00000268)=0.133509673966330E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 268
|
|
z1= 1 -.567376802994108E-04 0.000000000000000E+00
|
|
z1= 2 -.147476342111756E-05 0.000000000000000E+00
|
|
z1= 3 0.861288036506217E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000268)=0.000000000000000E+00
|
|
(calc=0.126159925429635E+02 read=0.126159925429635E+02)
|
|
Weight for this step=-.18632E+00 0.58679E+01
|
|
beta (00000269)=0.126159925429635E+02
|
|
gamma(00000269)=0.126159925429635E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 269
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000269)=0.000000000000000E+00
|
|
(calc=0.135207235004554E+02 read=0.135207235004554E+02)
|
|
Weight for this step=0.18000E+00 -.48210E+01
|
|
beta (00000270)=0.135207235004554E+02
|
|
gamma(00000270)=0.135207235004554E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 270
|
|
z1= 1 0.127137685652246E-03 0.000000000000000E+00
|
|
z1= 2 0.147446017463061E-05 0.000000000000000E+00
|
|
z1= 3 -.850926267151298E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000270)=0.000000000000000E+00
|
|
(calc=0.130324162067741E+02 read=0.130324162067741E+02)
|
|
Weight for this step=0.18293E+00 -.57087E+01
|
|
beta (00000271)=0.130324162067741E+02
|
|
gamma(00000271)=0.130324162067741E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 271
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000271)=0.000000000000000E+00
|
|
(calc=0.132956054952244E+02 read=0.132956054952244E+02)
|
|
Weight for this step=-.17712E+00 0.47149E+01
|
|
beta (00000272)=0.132956054952244E+02
|
|
gamma(00000272)=0.132956054952244E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 272
|
|
z1= 1 -.191729312312948E-03 0.000000000000000E+00
|
|
z1= 2 -.155405386660819E-05 0.000000000000000E+00
|
|
z1= 3 0.886776127557586E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000272)=0.000000000000000E+00
|
|
(calc=0.127269498904768E+02 read=0.127269498904768E+02)
|
|
Weight for this step=-.18838E+00 0.58278E+01
|
|
beta (00000273)=0.127269498904768E+02
|
|
gamma(00000273)=0.127269498904768E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 273
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000273)=0.000000000000000E+00
|
|
(calc=0.134985209742731E+02 read=0.134985209742731E+02)
|
|
Weight for this step=0.17488E+00 -.46259E+01
|
|
beta (00000274)=0.134985209742731E+02
|
|
gamma(00000274)=0.134985209742731E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 274
|
|
z1= 1 0.170331338007786E-03 0.000000000000000E+00
|
|
z1= 2 0.157806383036148E-05 0.000000000000000E+00
|
|
z1= 3 -.880252715059794E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000274)=0.000000000000000E+00
|
|
(calc=0.128622188610237E+02 read=0.128622188610237E+02)
|
|
Weight for this step=0.18644E+00 -.57190E+01
|
|
beta (00000275)=0.128622188610237E+02
|
|
gamma(00000275)=0.128622188610237E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 275
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000275)=0.000000000000000E+00
|
|
(calc=0.137440451936213E+02 read=0.137440451936213E+02)
|
|
Weight for this step=-.17360E+00 0.45637E+01
|
|
beta (00000276)=0.137440451936213E+02
|
|
gamma(00000276)=0.137440451936213E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 276
|
|
z1= 1 -.142750271903275E-03 0.000000000000000E+00
|
|
z1= 2 -.157821809977730E-05 0.000000000000000E+00
|
|
z1= 3 0.873149851241851E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000276)=0.000000000000000E+00
|
|
(calc=0.127464668374159E+02 read=0.127464668374159E+02)
|
|
Weight for this step=-.18308E+00 0.55694E+01
|
|
beta (00000277)=0.127464668374159E+02
|
|
gamma(00000277)=0.127464668374159E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 277
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000277)=0.000000000000000E+00
|
|
(calc=0.131863671382823E+02 read=0.131863671382823E+02)
|
|
Weight for this step=0.17735E+00 -.46348E+01
|
|
beta (00000278)=0.131863671382823E+02
|
|
gamma(00000278)=0.131863671382823E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 278
|
|
z1= 1 0.109572272947518E-03 0.000000000000000E+00
|
|
z1= 2 0.163461486807001E-05 0.000000000000000E+00
|
|
z1= 3 -.901660216060408E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000278)=0.000000000000000E+00
|
|
(calc=0.125348509742997E+02 read=0.125348509742997E+02)
|
|
Weight for this step=0.18612E+00 -.56137E+01
|
|
beta (00000279)=0.125348509742997E+02
|
|
gamma(00000279)=0.125348509742997E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 279
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000279)=0.000000000000000E+00
|
|
(calc=0.133613119487983E+02 read=0.133613119487983E+02)
|
|
Weight for this step=-.17640E+00 0.45826E+01
|
|
beta (00000280)=0.133613119487983E+02
|
|
gamma(00000280)=0.133613119487983E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 280
|
|
z1= 1 -.760002265133737E-04 0.000000000000000E+00
|
|
z1= 2 -.163669660678198E-05 0.000000000000000E+00
|
|
z1= 3 0.896005116320575E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000280)=0.000000000000000E+00
|
|
(calc=0.128734593266187E+02 read=0.128734593266187E+02)
|
|
Weight for this step=-.18360E+00 0.54910E+01
|
|
beta (00000281)=0.128734593266187E+02
|
|
gamma(00000281)=0.128734593266187E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 281
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000281)=0.000000000000000E+00
|
|
(calc=0.132961411401249E+02 read=0.132961411401249E+02)
|
|
Weight for this step=0.17332E+00 -.44771E+01
|
|
beta (00000282)=0.132961411401249E+02
|
|
gamma(00000282)=0.132961411401249E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 282
|
|
z1= 1 0.276527334064029E-04 0.000000000000000E+00
|
|
z1= 2 0.168078713190609E-05 0.000000000000000E+00
|
|
z1= 3 -.912525533278022E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000282)=0.000000000000000E+00
|
|
(calc=0.125942924204340E+02 read=0.125942924204340E+02)
|
|
Weight for this step=0.18663E+00 -.55368E+01
|
|
beta (00000283)=0.125942924204340E+02
|
|
gamma(00000283)=0.125942924204340E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 283
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000283)=0.000000000000000E+00
|
|
(calc=0.132143412538638E+02 read=0.132143412538638E+02)
|
|
Weight for this step=-.17284E+00 0.44388E+01
|
|
beta (00000284)=0.132143412538638E+02
|
|
gamma(00000284)=0.132143412538638E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 284
|
|
z1= 1 0.583239420644463E-04 0.000000000000000E+00
|
|
z1= 2 -.169448499549429E-05 0.000000000000000E+00
|
|
z1= 3 0.909737797680373E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000284)=0.000000000000000E+00
|
|
(calc=0.126628071631529E+02 read=0.126628071631529E+02)
|
|
Weight for this step=-.18677E+00 0.54969E+01
|
|
beta (00000285)=0.126628071631529E+02
|
|
gamma(00000285)=0.126628071631529E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 285
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000285)=0.000000000000000E+00
|
|
(calc=0.134122172404607E+02 read=0.134122172404607E+02)
|
|
Weight for this step=0.17028E+00 -.43480E+01
|
|
beta (00000286)=0.134122172404607E+02
|
|
gamma(00000286)=0.134122172404607E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 286
|
|
z1= 1 -.190932279733869E-03 0.000000000000000E+00
|
|
z1= 2 0.168270811709472E-05 0.000000000000000E+00
|
|
z1= 3 -.905919346849617E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000286)=0.000000000000000E+00
|
|
(calc=0.126239998823110E+02 read=0.126239998823110E+02)
|
|
Weight for this step=0.18497E+00 -.54019E+01
|
|
beta (00000287)=0.126239998823110E+02
|
|
gamma(00000287)=0.126239998823110E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 287
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000287)=0.000000000000000E+00
|
|
(calc=0.130876625119869E+02 read=0.130876625119869E+02)
|
|
Weight for this step=-.17089E+00 0.43394E+01
|
|
beta (00000288)=0.130876625119869E+02
|
|
gamma(00000288)=0.130876625119869E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 288
|
|
z1= 1 0.349693419300639E-03 0.000000000000000E+00
|
|
z1= 2 -.171015172586650E-05 0.000000000000000E+00
|
|
z1= 3 0.920518477500582E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000288)=0.000000000000000E+00
|
|
(calc=0.127646903035548E+02 read=0.127646903035548E+02)
|
|
Weight for this step=-.18730E+00 0.54276E+01
|
|
beta (00000289)=0.127646903035548E+02
|
|
gamma(00000289)=0.127646903035548E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 289
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000289)=0.000000000000000E+00
|
|
(calc=0.134266705456058E+02 read=0.134266705456058E+02)
|
|
Weight for this step=0.16519E+00 -.41709E+01
|
|
beta (00000290)=0.134266705456058E+02
|
|
gamma(00000290)=0.134266705456058E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 290
|
|
z1= 1 -.501231307185227E-03 0.000000000000000E+00
|
|
z1= 2 0.170229397171819E-05 0.000000000000000E+00
|
|
z1= 3 -.927082524705670E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000290)=0.000000000000000E+00
|
|
(calc=0.127607097628115E+02 read=0.127607097628115E+02)
|
|
Weight for this step=0.18643E+00 -.53633E+01
|
|
beta (00000291)=0.127607097628115E+02
|
|
gamma(00000291)=0.127607097628115E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 291
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000291)=0.000000000000000E+00
|
|
(calc=0.131977142963550E+02 read=0.131977142963550E+02)
|
|
Weight for this step=-.16382E+00 0.41134E+01
|
|
beta (00000292)=0.131977142963550E+02
|
|
gamma(00000292)=0.131977142963550E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 292
|
|
z1= 1 0.625364817681611E-03 0.000000000000000E+00
|
|
z1= 2 -.172943302225326E-05 0.000000000000000E+00
|
|
z1= 3 0.944091772866199E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000292)=0.000000000000000E+00
|
|
(calc=0.126412174553989E+02 read=0.126412174553989E+02)
|
|
Weight for this step=-.18869E+00 0.53897E+01
|
|
beta (00000293)=0.126412174553989E+02
|
|
gamma(00000293)=0.126412174553989E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 293
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000293)=0.000000000000000E+00
|
|
(calc=0.135269290528757E+02 read=0.135269290528757E+02)
|
|
Weight for this step=0.16084E+00 -.40154E+01
|
|
beta (00000294)=0.135269290528757E+02
|
|
gamma(00000294)=0.135269290528757E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 294
|
|
z1= 1 -.725894581670368E-03 0.000000000000000E+00
|
|
z1= 2 0.167999408139628E-05 0.000000000000000E+00
|
|
z1= 3 -.913283330750174E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000294)=0.000000000000000E+00
|
|
(calc=0.129785084256467E+02 read=0.129785084256467E+02)
|
|
Weight for this step=0.18441E+00 -.52311E+01
|
|
beta (00000295)=0.129785084256467E+02
|
|
gamma(00000295)=0.129785084256467E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 295
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000295)=0.000000000000000E+00
|
|
(calc=0.135622808660767E+02 read=0.135622808660767E+02)
|
|
Weight for this step=-.15793E+00 0.39213E+01
|
|
beta (00000296)=0.135622808660767E+02
|
|
gamma(00000296)=0.135622808660767E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 296
|
|
z1= 1 0.768668939927513E-03 0.000000000000000E+00
|
|
z1= 2 -.168504087478920E-05 0.000000000000000E+00
|
|
z1= 3 0.904610650385811E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000296)=0.000000000000000E+00
|
|
(calc=0.127907360467252E+02 read=0.127907360467252E+02)
|
|
Weight for this step=-.18439E+00 0.51952E+01
|
|
beta (00000297)=0.127907360467252E+02
|
|
gamma(00000297)=0.127907360467252E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 297
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000297)=0.000000000000000E+00
|
|
(calc=0.133436968774994E+02 read=0.133436968774994E+02)
|
|
Weight for this step=0.15761E+00 -.38919E+01
|
|
beta (00000298)=0.133436968774994E+02
|
|
gamma(00000298)=0.133436968774994E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 298
|
|
z1= 1 -.707517468788372E-03 0.000000000000000E+00
|
|
z1= 2 0.167961114446585E-05 0.000000000000000E+00
|
|
z1= 3 -.902354954200336E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000298)=0.000000000000000E+00
|
|
(calc=0.130107129409987E+02 read=0.130107129409987E+02)
|
|
Weight for this step=0.18477E+00 -.51708E+01
|
|
beta (00000299)=0.130107129409987E+02
|
|
gamma(00000299)=0.130107129409987E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 299
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000299)=0.000000000000000E+00
|
|
(calc=0.136889181088334E+02 read=0.136889181088334E+02)
|
|
Weight for this step=-.15195E+00 0.37314E+01
|
|
beta (00000300)=0.136889181088334E+02
|
|
gamma(00000300)=0.136889181088334E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 300
|
|
z1= 1 0.684628564601643E-03 0.000000000000000E+00
|
|
z1= 2 -.167450096307713E-05 0.000000000000000E+00
|
|
z1= 3 0.890878449962199E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000300)=0.000000000000000E+00
|
|
(calc=0.127325812475916E+02 read=0.127325812475916E+02)
|
|
Weight for this step=-.18316E+00 0.50931E+01
|
|
beta (00000301)=0.127325812475916E+02
|
|
gamma(00000301)=0.127325812475916E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 301
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000301)=0.000000000000000E+00
|
|
(calc=0.132014509478762E+02 read=0.132014509478762E+02)
|
|
Weight for this step=0.15355E+00 -.37498E+01
|
|
beta (00000302)=0.132014509478762E+02
|
|
gamma(00000302)=0.132014509478762E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 302
|
|
z1= 1 -.647264218641776E-03 0.000000000000000E+00
|
|
z1= 2 0.168245271964414E-05 0.000000000000000E+00
|
|
z1= 3 -.907227271594309E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000302)=0.000000000000000E+00
|
|
(calc=0.127870314741178E+02 read=0.127870314741178E+02)
|
|
Weight for this step=0.18455E+00 -.50981E+01
|
|
beta (00000303)=0.127870314741178E+02
|
|
gamma(00000303)=0.127870314741178E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 303
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000303)=0.000000000000000E+00
|
|
(calc=0.135647539958655E+02 read=0.135647539958655E+02)
|
|
Weight for this step=-.14868E+00 0.36104E+01
|
|
beta (00000304)=0.135647539958655E+02
|
|
gamma(00000304)=0.135647539958655E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 304
|
|
z1= 1 0.551174922374189E-03 0.000000000000000E+00
|
|
z1= 2 -.166716131768264E-05 0.000000000000000E+00
|
|
z1= 3 0.898177204541504E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000304)=0.000000000000000E+00
|
|
(calc=0.128308768304114E+02 read=0.128308768304114E+02)
|
|
Weight for this step=-.18141E+00 0.49800E+01
|
|
beta (00000305)=0.128308768304114E+02
|
|
gamma(00000305)=0.128308768304114E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 305
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000305)=0.000000000000000E+00
|
|
(calc=0.134495322428984E+02 read=0.134495322428984E+02)
|
|
Weight for this step=0.14754E+00 -.35628E+01
|
|
beta (00000306)=0.134495322428984E+02
|
|
gamma(00000306)=0.134495322428984E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 306
|
|
z1= 1 -.426471941304514E-03 0.000000000000000E+00
|
|
z1= 2 0.167530919078498E-05 0.000000000000000E+00
|
|
z1= 3 -.898344154649051E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000306)=0.000000000000000E+00
|
|
(calc=0.127987523275910E+02 read=0.127987523275910E+02)
|
|
Weight for this step=0.18051E+00 -.49244E+01
|
|
beta (00000307)=0.127987523275910E+02
|
|
gamma(00000307)=0.127987523275910E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 307
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000307)=0.000000000000000E+00
|
|
(calc=0.135696281772165E+02 read=0.135696281772165E+02)
|
|
Weight for this step=-.14543E+00 0.34921E+01
|
|
beta (00000308)=0.135696281772165E+02
|
|
gamma(00000308)=0.135696281772165E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 308
|
|
z1= 1 0.239679137762927E-03 0.000000000000000E+00
|
|
z1= 2 -.166928034521507E-05 0.000000000000000E+00
|
|
z1= 3 0.883921430587672E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000308)=0.000000000000000E+00
|
|
(calc=0.127885451319368E+02 read=0.127885451319368E+02)
|
|
Weight for this step=-.17753E+00 0.48131E+01
|
|
beta (00000309)=0.127885451319368E+02
|
|
gamma(00000309)=0.127885451319368E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 309
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000309)=0.000000000000000E+00
|
|
(calc=0.133077725039452E+02 read=0.133077725039452E+02)
|
|
Weight for this step=0.14484E+00 -.34591E+01
|
|
beta (00000310)=0.133077725039452E+02
|
|
gamma(00000310)=0.133077725039452E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 310
|
|
z1= 1 -.705333776744449E-04 0.000000000000000E+00
|
|
z1= 2 0.168442483215736E-05 0.000000000000000E+00
|
|
z1= 3 -.877754750090915E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000310)=0.000000000000000E+00
|
|
(calc=0.127286690674846E+02 read=0.127286690674846E+02)
|
|
Weight for this step=0.17799E+00 -.47954E+01
|
|
beta (00000311)=0.127286690674846E+02
|
|
gamma(00000311)=0.127286690674846E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 311
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000311)=0.000000000000000E+00
|
|
(calc=0.134430704842425E+02 read=0.134430704842425E+02)
|
|
Weight for this step=-.14190E+00 0.33699E+01
|
|
beta (00000312)=0.134430704842425E+02
|
|
gamma(00000312)=0.134430704842425E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 312
|
|
z1= 1 -.739457855190775E-04 0.000000000000000E+00
|
|
z1= 2 -.168671184035411E-05 0.000000000000000E+00
|
|
z1= 3 0.863265367378064E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000312)=0.000000000000000E+00
|
|
(calc=0.128578466093019E+02 read=0.128578466093019E+02)
|
|
Weight for this step=-.17569E+00 0.47046E+01
|
|
beta (00000313)=0.128578466093019E+02
|
|
gamma(00000313)=0.128578466093019E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 313
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000313)=0.000000000000000E+00
|
|
(calc=0.132261696234449E+02 read=0.132261696234449E+02)
|
|
Weight for this step=0.13905E+00 -.32837E+01
|
|
beta (00000314)=0.132261696234449E+02
|
|
gamma(00000314)=0.132261696234449E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 314
|
|
z1= 1 0.259106840937338E-03 0.000000000000000E+00
|
|
z1= 2 0.174612297445414E-05 0.000000000000000E+00
|
|
z1= 3 -.880522102286621E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000314)=0.000000000000000E+00
|
|
(calc=0.124474650226159E+02 read=0.124474650226159E+02)
|
|
Weight for this step=0.17793E+00 -.47361E+01
|
|
beta (00000315)=0.124474650226159E+02
|
|
gamma(00000315)=0.124474650226159E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 315
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000315)=0.000000000000000E+00
|
|
(calc=0.134572319185595E+02 read=0.134572319185595E+02)
|
|
Weight for this step=-.13801E+00 0.32401E+01
|
|
beta (00000316)=0.134572319185595E+02
|
|
gamma(00000316)=0.134572319185595E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 316
|
|
z1= 1 -.404013283161572E-03 0.000000000000000E+00
|
|
z1= 2 -.172059706885202E-05 0.000000000000000E+00
|
|
z1= 3 0.855679319318914E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000316)=0.000000000000000E+00
|
|
(calc=0.125627927332960E+02 read=0.125627927332960E+02)
|
|
Weight for this step=-.17153E+00 0.45384E+01
|
|
beta (00000317)=0.125627927332960E+02
|
|
gamma(00000317)=0.125627927332960E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 317
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000317)=0.000000000000000E+00
|
|
(calc=0.134454999929261E+02 read=0.134454999929261E+02)
|
|
Weight for this step=0.13854E+00 -.32343E+01
|
|
beta (00000318)=0.134454999929261E+02
|
|
gamma(00000318)=0.134454999929261E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 318
|
|
z1= 1 0.507457592957055E-03 0.000000000000000E+00
|
|
z1= 2 0.171095648101964E-05 0.000000000000000E+00
|
|
z1= 3 -.844837863351596E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000318)=0.000000000000000E+00
|
|
(calc=0.125691239725402E+02 read=0.125691239725402E+02)
|
|
Weight for this step=0.16725E+00 -.43979E+01
|
|
beta (00000319)=0.125691239725402E+02
|
|
gamma(00000319)=0.125691239725402E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 319
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000319)=0.000000000000000E+00
|
|
(calc=0.132683726820441E+02 read=0.132683726820441E+02)
|
|
Weight for this step=-.13914E+00 0.32308E+01
|
|
beta (00000320)=0.132683726820441E+02
|
|
gamma(00000320)=0.132683726820441E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 320
|
|
z1= 1 -.613713715599071E-03 0.000000000000000E+00
|
|
z1= 2 -.173509690408599E-05 0.000000000000000E+00
|
|
z1= 3 0.850311119251720E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000320)=0.000000000000000E+00
|
|
(calc=0.128768070499523E+02 read=0.128768070499523E+02)
|
|
Weight for this step=-.16555E+00 0.43255E+01
|
|
beta (00000321)=0.128768070499523E+02
|
|
gamma(00000321)=0.128768070499523E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 321
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000321)=0.000000000000000E+00
|
|
(calc=0.135396593777757E+02 read=0.135396593777757E+02)
|
|
Weight for this step=0.13462E+00 -.31092E+01
|
|
beta (00000322)=0.135396593777757E+02
|
|
gamma(00000322)=0.135396593777757E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 322
|
|
z1= 1 0.611543137083495E-03 0.000000000000000E+00
|
|
z1= 2 0.178307841021625E-05 0.000000000000000E+00
|
|
z1= 3 -.859418121421248E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000322)=0.000000000000000E+00
|
|
(calc=0.127480205076653E+02 read=0.127480205076653E+02)
|
|
Weight for this step=0.16418E+00 -.42640E+01
|
|
beta (00000323)=0.127480205076653E+02
|
|
gamma(00000323)=0.127480205076653E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 323
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000323)=0.000000000000000E+00
|
|
(calc=0.132686642269067E+02 read=0.132686642269067E+02)
|
|
Weight for this step=-.13422E+00 0.30833E+01
|
|
beta (00000324)=0.132686642269067E+02
|
|
gamma(00000324)=0.132686642269067E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 324
|
|
z1= 1 -.593314845552301E-03 0.000000000000000E+00
|
|
z1= 2 -.183057700232285E-05 0.000000000000000E+00
|
|
z1= 3 0.867850659601235E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000324)=0.000000000000000E+00
|
|
(calc=0.127942811383426E+02 read=0.127942811383426E+02)
|
|
Weight for this step=-.16459E+00 0.42488E+01
|
|
beta (00000325)=0.127942811383426E+02
|
|
gamma(00000325)=0.127942811383426E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 325
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000325)=0.000000000000000E+00
|
|
(calc=0.137027023470101E+02 read=0.137027023470101E+02)
|
|
Weight for this step=0.13044E+00 -.29803E+01
|
|
beta (00000326)=0.137027023470101E+02
|
|
gamma(00000326)=0.137027023470101E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 326
|
|
z1= 1 0.515212369671513E-03 0.000000000000000E+00
|
|
z1= 2 0.183480101835281E-05 0.000000000000000E+00
|
|
z1= 3 -.846344731333308E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000326)=0.000000000000000E+00
|
|
(calc=0.126562954374660E+02 read=0.126562954374660E+02)
|
|
Weight for this step=0.16013E+00 -.41095E+01
|
|
beta (00000327)=0.126562954374660E+02
|
|
gamma(00000327)=0.126562954374660E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 327
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000327)=0.000000000000000E+00
|
|
(calc=0.132710996838658E+02 read=0.132710996838658E+02)
|
|
Weight for this step=-.13262E+00 0.30141E+01
|
|
beta (00000328)=0.132710996838658E+02
|
|
gamma(00000328)=0.132710996838658E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 328
|
|
z1= 1 -.372274808167227E-03 0.000000000000000E+00
|
|
z1= 2 -.186608044493272E-05 0.000000000000000E+00
|
|
z1= 3 0.850178972784855E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000328)=0.000000000000000E+00
|
|
(calc=0.128093992635456E+02 read=0.128093992635456E+02)
|
|
Weight for this step=-.15948E+00 0.40678E+01
|
|
beta (00000329)=0.128093992635456E+02
|
|
gamma(00000329)=0.128093992635456E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 329
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000329)=0.000000000000000E+00
|
|
(calc=0.136222241652883E+02 read=0.136222241652883E+02)
|
|
Weight for this step=0.12893E+00 -.29149E+01
|
|
beta (00000330)=0.136222241652883E+02
|
|
gamma(00000330)=0.136222241652883E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 330
|
|
z1= 1 0.204264921806225E-03 0.000000000000000E+00
|
|
z1= 2 0.188766628584649E-05 0.000000000000000E+00
|
|
z1= 3 -.844127140023669E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000330)=0.000000000000000E+00
|
|
(calc=0.126670299839844E+02 read=0.126670299839844E+02)
|
|
Weight for this step=0.15637E+00 -.39651E+01
|
|
beta (00000331)=0.126670299839844E+02
|
|
gamma(00000331)=0.126670299839844E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 331
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000331)=0.000000000000000E+00
|
|
(calc=0.133665217959362E+02 read=0.133665217959362E+02)
|
|
Weight for this step=-.13026E+00 0.29298E+01
|
|
beta (00000332)=0.133665217959362E+02
|
|
gamma(00000332)=0.133665217959362E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 332
|
|
z1= 1 0.520216036462105E-05 0.000000000000000E+00
|
|
z1= 2 -.191074840630930E-05 0.000000000000000E+00
|
|
z1= 3 0.845879706850574E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000332)=0.000000000000000E+00
|
|
(calc=0.128362235644113E+02 read=0.128362235644113E+02)
|
|
Weight for this step=-.15479E+00 0.39011E+01
|
|
beta (00000333)=0.128362235644113E+02
|
|
gamma(00000333)=0.128362235644113E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 333
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000333)=0.000000000000000E+00
|
|
(calc=0.134610383860623E+02 read=0.134610383860623E+02)
|
|
Weight for this step=0.12744E+00 -.28519E+01
|
|
beta (00000334)=0.134610383860623E+02
|
|
gamma(00000334)=0.134610383860623E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 334
|
|
z1= 1 -.149650802662429E-03 0.000000000000000E+00
|
|
z1= 2 0.196738899235186E-05 0.000000000000000E+00
|
|
z1= 3 -.858442704595758E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000334)=0.000000000000000E+00
|
|
(calc=0.124678202754767E+02 read=0.124678202754767E+02)
|
|
Weight for this step=0.15401E+00 -.38587E+01
|
|
beta (00000335)=0.124678202754767E+02
|
|
gamma(00000335)=0.124678202754767E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 335
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000335)=0.000000000000000E+00
|
|
(calc=0.130935940616502E+02 read=0.130935940616502E+02)
|
|
Weight for this step=-.12920E+00 0.28765E+01
|
|
beta (00000336)=0.130935940616502E+02
|
|
gamma(00000336)=0.130935940616502E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 336
|
|
z1= 1 0.268216931856626E-03 0.000000000000000E+00
|
|
z1= 2 -.201212838823583E-05 0.000000000000000E+00
|
|
z1= 3 0.877588814945625E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000336)=0.000000000000000E+00
|
|
(calc=0.129076797325912E+02 read=0.129076797325912E+02)
|
|
Weight for this step=-.15333E+00 0.38181E+01
|
|
beta (00000337)=0.129076797325912E+02
|
|
gamma(00000337)=0.129076797325912E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 337
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000337)=0.000000000000000E+00
|
|
(calc=0.135012897044665E+02 read=0.135012897044665E+02)
|
|
Weight for this step=0.12299E+00 -.27243E+01
|
|
beta (00000338)=0.135012897044665E+02
|
|
gamma(00000338)=0.135012897044665E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 338
|
|
z1= 1 -.430209631911072E-03 0.000000000000000E+00
|
|
z1= 2 0.207654465792266E-05 0.000000000000000E+00
|
|
z1= 3 -.895674804104519E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000338)=0.000000000000000E+00
|
|
(calc=0.126384611130740E+02 read=0.126384611130740E+02)
|
|
Weight for this step=0.15275E+00 -.37823E+01
|
|
beta (00000339)=0.126384611130740E+02
|
|
gamma(00000339)=0.126384611130740E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 339
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000339)=0.000000000000000E+00
|
|
(calc=0.132422097886978E+02 read=0.132422097886978E+02)
|
|
Weight for this step=-.12317E+00 0.27145E+01
|
|
beta (00000340)=0.132422097886978E+02
|
|
gamma(00000340)=0.132422097886978E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 340
|
|
z1= 1 0.595729902942817E-03 0.000000000000000E+00
|
|
z1= 2 -.212817026103108E-05 0.000000000000000E+00
|
|
z1= 3 0.918078602631545E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000340)=0.000000000000000E+00
|
|
(calc=0.126707155267549E+02 read=0.126707155267549E+02)
|
|
Weight for this step=-.15208E+00 0.37440E+01
|
|
beta (00000341)=0.126707155267549E+02
|
|
gamma(00000341)=0.126707155267549E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 341
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000341)=0.000000000000000E+00
|
|
(calc=0.136753650270820E+02 read=0.136753650270820E+02)
|
|
Weight for this step=0.12057E+00 -.26435E+01
|
|
beta (00000342)=0.136753650270820E+02
|
|
gamma(00000342)=0.136753650270820E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 342
|
|
z1= 1 -.712211639774271E-03 0.000000000000000E+00
|
|
z1= 2 0.211863388211732E-05 0.000000000000000E+00
|
|
z1= 3 -.913338079441568E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000342)=0.000000000000000E+00
|
|
(calc=0.127943575652756E+02 read=0.127943575652756E+02)
|
|
Weight for this step=0.14688E+00 -.35955E+01
|
|
beta (00000343)=0.127943575652756E+02
|
|
gamma(00000343)=0.127943575652756E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 343
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000343)=0.000000000000000E+00
|
|
(calc=0.135431220570199E+02 read=0.135431220570199E+02)
|
|
Weight for this step=-.12108E+00 0.26416E+01
|
|
beta (00000344)=0.135431220570199E+02
|
|
gamma(00000344)=0.135431220570199E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 344
|
|
z1= 1 0.857869650971173E-03 0.000000000000000E+00
|
|
z1= 2 -.212353928338307E-05 0.000000000000000E+00
|
|
z1= 3 0.934068680687915E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000344)=0.000000000000000E+00
|
|
(calc=0.129527933240723E+02 read=0.129527933240723E+02)
|
|
Weight for this step=-.14480E+00 0.35244E+01
|
|
beta (00000345)=0.129527933240723E+02
|
|
gamma(00000345)=0.129527933240723E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 345
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000345)=0.000000000000000E+00
|
|
(calc=0.134551236265833E+02 read=0.134551236265833E+02)
|
|
Weight for this step=0.11901E+00 -.25838E+01
|
|
beta (00000346)=0.134551236265833E+02
|
|
gamma(00000346)=0.134551236265833E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 346
|
|
z1= 1 -.104506027257694E-02 0.000000000000000E+00
|
|
z1= 2 0.220131595046681E-05 0.000000000000000E+00
|
|
z1= 3 -.961738683013743E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000346)=0.000000000000000E+00
|
|
(calc=0.125651899825453E+02 read=0.125651899825453E+02)
|
|
Weight for this step=0.14538E+00 -.35185E+01
|
|
beta (00000347)=0.125651899825453E+02
|
|
gamma(00000347)=0.125651899825453E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 347
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000347)=0.000000000000000E+00
|
|
(calc=0.134783820689339E+02 read=0.134783820689339E+02)
|
|
Weight for this step=-.11959E+00 0.25836E+01
|
|
beta (00000348)=0.134783820689339E+02
|
|
gamma(00000348)=0.134783820689339E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 348
|
|
z1= 1 0.116939543831404E-02 0.000000000000000E+00
|
|
z1= 2 -.219128906567192E-05 0.000000000000000E+00
|
|
z1= 3 0.964487218542664E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000348)=0.000000000000000E+00
|
|
(calc=0.129739915427084E+02 read=0.129739915427084E+02)
|
|
Weight for this step=-.14153E+00 0.34056E+01
|
|
beta (00000349)=0.129739915427084E+02
|
|
gamma(00000349)=0.129739915427084E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 349
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000349)=0.000000000000000E+00
|
|
(calc=0.134297645172635E+02 read=0.134297645172635E+02)
|
|
Weight for this step=0.11683E+00 -.25122E+01
|
|
beta (00000350)=0.134297645172635E+02
|
|
gamma(00000350)=0.134297645172635E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 350
|
|
z1= 1 -.135344050491708E-02 0.000000000000000E+00
|
|
z1= 2 0.225620922337903E-05 0.000000000000000E+00
|
|
z1= 3 -.993135379438910E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000350)=0.000000000000000E+00
|
|
(calc=0.125508321934906E+02 read=0.125508321934906E+02)
|
|
Weight for this step=0.14261E+00 -.34124E+01
|
|
beta (00000351)=0.125508321934906E+02
|
|
gamma(00000351)=0.125508321934906E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 351
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000351)=0.000000000000000E+00
|
|
(calc=0.134338381526123E+02 read=0.134338381526123E+02)
|
|
Weight for this step=-.11730E+00 0.25101E+01
|
|
beta (00000352)=0.134338381526123E+02
|
|
gamma(00000352)=0.134338381526123E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 352
|
|
z1= 1 0.143549901670042E-02 0.000000000000000E+00
|
|
z1= 2 -.223606631252283E-05 0.000000000000000E+00
|
|
z1= 3 0.100483244686549E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000352)=0.000000000000000E+00
|
|
(calc=0.129530888503404E+02 read=0.129530888503404E+02)
|
|
Weight for this step=-.13914E+00 0.33104E+01
|
|
beta (00000353)=0.129530888503404E+02
|
|
gamma(00000353)=0.129530888503404E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 353
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000353)=0.000000000000000E+00
|
|
(calc=0.132873546681447E+02 read=0.132873546681447E+02)
|
|
Weight for this step=0.11437E+00 -.24360E+01
|
|
beta (00000354)=0.132873546681447E+02
|
|
gamma(00000354)=0.132873546681447E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 354
|
|
z1= 1 -.157560451699969E-02 0.000000000000000E+00
|
|
z1= 2 0.233852346108281E-05 0.000000000000000E+00
|
|
z1= 3 -.105125643002821E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000354)=0.000000000000000E+00
|
|
(calc=0.124749146209501E+02 read=0.124749146209501E+02)
|
|
Weight for this step=0.14145E+00 -.33472E+01
|
|
beta (00000355)=0.124749146209501E+02
|
|
gamma(00000355)=0.124749146209501E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 355
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000355)=0.000000000000000E+00
|
|
(calc=0.136129809099013E+02 read=0.136129809099013E+02)
|
|
Weight for this step=-.11413E+00 0.24190E+01
|
|
beta (00000356)=0.136129809099013E+02
|
|
gamma(00000356)=0.136129809099013E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 356
|
|
z1= 1 0.166791202542283E-02 0.000000000000000E+00
|
|
z1= 2 -.227875773599492E-05 0.000000000000000E+00
|
|
z1= 3 0.102586970335061E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000356)=0.000000000000000E+00
|
|
(calc=0.128740517007964E+02 read=0.128740517007964E+02)
|
|
Weight for this step=-.13529E+00 0.31837E+01
|
|
beta (00000357)=0.128740517007964E+02
|
|
gamma(00000357)=0.128740517007964E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 357
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000357)=0.000000000000000E+00
|
|
(calc=0.136854129722098E+02 read=0.136854129722098E+02)
|
|
Weight for this step=0.11355E+00 -.23960E+01
|
|
beta (00000358)=0.136854129722098E+02
|
|
gamma(00000358)=0.136854129722098E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 358
|
|
z1= 1 -.178715673182855E-02 0.000000000000000E+00
|
|
z1= 2 0.230669507012221E-05 0.000000000000000E+00
|
|
z1= 3 -.104555659559359E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000358)=0.000000000000000E+00
|
|
(calc=0.126594210883743E+02 read=0.126594210883743E+02)
|
|
Weight for this step=0.13288E+00 -.31095E+01
|
|
beta (00000359)=0.126594210883743E+02
|
|
gamma(00000359)=0.126594210883743E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 359
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000359)=0.000000000000000E+00
|
|
(calc=0.138515727051040E+02 read=0.138515727051040E+02)
|
|
Weight for this step=-.11564E+00 0.24294E+01
|
|
beta (00000360)=0.138515727051040E+02
|
|
gamma(00000360)=0.138515727051040E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 360
|
|
z1= 1 0.183603267132077E-02 0.000000000000000E+00
|
|
z1= 2 -.227569132071155E-05 0.000000000000000E+00
|
|
z1= 3 0.103527777123977E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000360)=0.000000000000000E+00
|
|
(calc=0.124128308764972E+02 read=0.124128308764972E+02)
|
|
Weight for this step=-.12708E+00 0.29567E+01
|
|
beta (00000361)=0.124128308764972E+02
|
|
gamma(00000361)=0.124128308764972E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 361
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000361)=0.000000000000000E+00
|
|
(calc=0.134328018602647E+02 read=0.134328018602647E+02)
|
|
Weight for this step=0.12210E+00 -.25551E+01
|
|
beta (00000362)=0.134328018602647E+02
|
|
gamma(00000362)=0.134328018602647E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 362
|
|
z1= 1 -.191581550953614E-02 0.000000000000000E+00
|
|
z1= 2 0.230707324347162E-05 0.000000000000000E+00
|
|
z1= 3 -.104547600964828E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000362)=0.000000000000000E+00
|
|
(calc=0.128797689027868E+02 read=0.128797689027868E+02)
|
|
Weight for this step=0.12357E+00 -.28567E+01
|
|
beta (00000363)=0.128797689027868E+02
|
|
gamma(00000363)=0.128797689027868E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 363
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000363)=0.000000000000000E+00
|
|
(calc=0.135103476712929E+02 read=0.135103476712929E+02)
|
|
Weight for this step=-.12084E+00 0.25196E+01
|
|
beta (00000364)=0.135103476712929E+02
|
|
gamma(00000364)=0.135103476712929E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 364
|
|
z1= 1 0.201942123581042E-02 0.000000000000000E+00
|
|
z1= 2 -.240656018803912E-05 0.000000000000000E+00
|
|
z1= 3 0.108763236745510E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000364)=0.000000000000000E+00
|
|
(calc=0.122994663697766E+02 read=0.122994663697766E+02)
|
|
Weight for this step=-.12385E+00 0.28454E+01
|
|
beta (00000365)=0.122994663697766E+02
|
|
gamma(00000365)=0.122994663697766E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 365
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000365)=0.000000000000000E+00
|
|
(calc=0.129062964166017E+02 read=0.129062964166017E+02)
|
|
Weight for this step=0.12592E+00 -.26163E+01
|
|
beta (00000366)=0.129062964166017E+02
|
|
gamma(00000366)=0.129062964166017E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 366
|
|
z1= 1 -.211650740536665E-02 0.000000000000000E+00
|
|
z1= 2 0.252452689484053E-05 0.000000000000000E+00
|
|
z1= 3 -.114127949265371E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000366)=0.000000000000000E+00
|
|
(calc=0.127034717271188E+02 read=0.127034717271188E+02)
|
|
Weight for this step=0.12461E+00 -.28443E+01
|
|
beta (00000367)=0.127034717271188E+02
|
|
gamma(00000367)=0.127034717271188E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 367
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000367)=0.000000000000000E+00
|
|
(calc=0.134767217559440E+02 read=0.134767217559440E+02)
|
|
Weight for this step=-.12128E+00 0.25115E+01
|
|
beta (00000368)=0.134767217559440E+02
|
|
gamma(00000368)=0.134767217559440E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 368
|
|
z1= 1 0.215017449581701E-02 0.000000000000000E+00
|
|
z1= 2 -.259678228810246E-05 0.000000000000000E+00
|
|
z1= 3 0.117142236059174E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000368)=0.000000000000000E+00
|
|
(calc=0.125626745846411E+02 read=0.125626745846411E+02)
|
|
Weight for this step=-.12354E+00 0.28031E+01
|
|
beta (00000369)=0.125626745846411E+02
|
|
gamma(00000369)=0.125626745846411E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 369
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000369)=0.000000000000000E+00
|
|
(calc=0.133693021903321E+02 read=0.133693021903321E+02)
|
|
Weight for this step=0.12344E+00 -.25482E+01
|
|
beta (00000370)=0.133693021903321E+02
|
|
gamma(00000370)=0.133693021903321E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 370
|
|
z1= 1 -.212542264123549E-02 0.000000000000000E+00
|
|
z1= 2 0.264599046325038E-05 0.000000000000000E+00
|
|
z1= 3 -.121023538968813E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000370)=0.000000000000000E+00
|
|
(calc=0.128827453195214E+02 read=0.128827453195214E+02)
|
|
Weight for this step=0.12232E+00 -.27587E+01
|
|
beta (00000371)=0.128827453195214E+02
|
|
gamma(00000371)=0.128827453195214E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 371
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000371)=0.000000000000000E+00
|
|
(calc=0.133106988649915E+02 read=0.133106988649915E+02)
|
|
Weight for this step=-.12168E+00 0.25042E+01
|
|
beta (00000372)=0.133106988649915E+02
|
|
gamma(00000372)=0.133106988649915E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 372
|
|
z1= 1 0.214724781364811E-02 0.000000000000000E+00
|
|
z1= 2 -.278182824089718E-05 0.000000000000000E+00
|
|
z1= 3 0.127225826570328E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000372)=0.000000000000000E+00
|
|
(calc=0.128999414938028E+02 read=0.128999414938028E+02)
|
|
Weight for this step=-.12456E+00 0.27932E+01
|
|
beta (00000373)=0.128999414938028E+02
|
|
gamma(00000373)=0.128999414938028E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 373
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000373)=0.000000000000000E+00
|
|
(calc=0.136448728621549E+02 read=0.136448728621549E+02)
|
|
Weight for this step=0.11901E+00 -.24422E+01
|
|
beta (00000374)=0.136448728621549E+02
|
|
gamma(00000374)=0.136448728621549E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 374
|
|
z1= 1 -.207159507621628E-02 0.000000000000000E+00
|
|
z1= 2 0.283230973369001E-05 0.000000000000000E+00
|
|
z1= 3 -.130814550814559E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000374)=0.000000000000000E+00
|
|
(calc=0.128456626971522E+02 read=0.128456626971522E+02)
|
|
Weight for this step=0.12365E+00 -.27578E+01
|
|
beta (00000375)=0.128456626971522E+02
|
|
gamma(00000375)=0.128456626971522E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 375
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000375)=0.000000000000000E+00
|
|
(calc=0.131827389552599E+02 read=0.131827389552599E+02)
|
|
Weight for this step=-.11990E+00 0.24537E+01
|
|
beta (00000376)=0.131827389552599E+02
|
|
gamma(00000376)=0.131827389552599E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 376
|
|
z1= 1 0.196865024943700E-02 0.000000000000000E+00
|
|
z1= 2 -.299477034615848E-05 0.000000000000000E+00
|
|
z1= 3 0.137676865270939E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000376)=0.000000000000000E+00
|
|
(calc=0.130315447151673E+02 read=0.130315447151673E+02)
|
|
Weight for this step=-.12663E+00 0.28092E+01
|
|
beta (00000377)=0.130315447151673E+02
|
|
gamma(00000377)=0.130315447151673E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 377
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000377)=0.000000000000000E+00
|
|
(calc=0.135748818097699E+02 read=0.135748818097699E+02)
|
|
Weight for this step=0.11472E+00 -.23410E+01
|
|
beta (00000378)=0.135748818097699E+02
|
|
gamma(00000378)=0.135748818097699E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 378
|
|
z1= 1 -.176140183845043E-02 0.000000000000000E+00
|
|
z1= 2 0.308434431514669E-05 0.000000000000000E+00
|
|
z1= 3 -.143849278344495E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000378)=0.000000000000000E+00
|
|
(calc=0.125824307978207E+02 read=0.125824307978207E+02)
|
|
Weight for this step=0.12726E+00 -.28096E+01
|
|
beta (00000379)=0.125824307978207E+02
|
|
gamma(00000379)=0.125824307978207E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 379
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000379)=0.000000000000000E+00
|
|
(calc=0.133817946372658E+02 read=0.133817946372658E+02)
|
|
Weight for this step=-.11692E+00 0.23795E+01
|
|
beta (00000380)=0.133817946372658E+02
|
|
gamma(00000380)=0.133817946372658E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 380
|
|
z1= 1 0.147099362125275E-02 0.000000000000000E+00
|
|
z1= 2 -.315388384145672E-05 0.000000000000000E+00
|
|
z1= 3 0.146328125509381E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000380)=0.000000000000000E+00
|
|
(calc=0.131035164394389E+02 read=0.131035164394389E+02)
|
|
Weight for this step=-.12556E+00 0.27582E+01
|
|
beta (00000381)=0.131035164394389E+02
|
|
gamma(00000381)=0.131035164394389E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 381
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000381)=0.000000000000000E+00
|
|
(calc=0.134408251144571E+02 read=0.134408251144571E+02)
|
|
Weight for this step=0.11292E+00 -.22923E+01
|
|
beta (00000382)=0.134408251144571E+02
|
|
gamma(00000382)=0.134408251144571E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 382
|
|
z1= 1 -.127884804987194E-02 0.000000000000000E+00
|
|
z1= 2 0.328099606428404E-05 0.000000000000000E+00
|
|
z1= 3 -.153020560332215E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000382)=0.000000000000000E+00
|
|
(calc=0.129349547448582E+02 read=0.129349547448582E+02)
|
|
Weight for this step=0.12808E+00 -.28006E+01
|
|
beta (00000383)=0.129349547448582E+02
|
|
gamma(00000383)=0.129349547448582E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 383
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000383)=0.000000000000000E+00
|
|
(calc=0.134943392845839E+02 read=0.134943392845839E+02)
|
|
Weight for this step=-.11064E+00 0.22402E+01
|
|
beta (00000384)=0.134943392845839E+02
|
|
gamma(00000384)=0.134943392845839E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 384
|
|
z1= 1 0.111254869272987E-02 0.000000000000000E+00
|
|
z1= 2 -.337802323723468E-05 0.000000000000000E+00
|
|
z1= 3 0.155372437106612E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000384)=0.000000000000000E+00
|
|
(calc=0.126532948766842E+02 read=0.126532948766842E+02)
|
|
Weight for this step=-.12830E+00 0.27931E+01
|
|
beta (00000385)=0.126532948766842E+02
|
|
gamma(00000385)=0.126532948766842E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 385
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000385)=0.000000000000000E+00
|
|
(calc=0.130168829791860E+02 read=0.130168829791860E+02)
|
|
Weight for this step=0.11114E+00 -.22446E+01
|
|
beta (00000386)=0.130168829791860E+02
|
|
gamma(00000386)=0.130168829791860E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 386
|
|
z1= 1 -.969093515808193E-03 0.000000000000000E+00
|
|
z1= 2 0.349366693629290E-05 0.000000000000000E+00
|
|
z1= 3 -.160211226617353E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000386)=0.000000000000000E+00
|
|
(calc=0.129062706303159E+02 read=0.129062706303159E+02)
|
|
Weight for this step=0.13048E+00 -.28280E+01
|
|
beta (00000387)=0.129062706303159E+02
|
|
gamma(00000387)=0.129062706303159E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 387
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000387)=0.000000000000000E+00
|
|
(calc=0.133571549003554E+02 read=0.133571549003554E+02)
|
|
Weight for this step=-.10525E+00 0.21204E+01
|
|
beta (00000388)=0.133571549003554E+02
|
|
gamma(00000388)=0.133571549003554E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 388
|
|
z1= 1 0.840276174369285E-03 0.000000000000000E+00
|
|
z1= 2 -.357727149194421E-05 0.000000000000000E+00
|
|
z1= 3 0.162749060299636E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000388)=0.000000000000000E+00
|
|
(calc=0.125858293138876E+02 read=0.125858293138876E+02)
|
|
Weight for this step=-.13139E+00 0.28364E+01
|
|
beta (00000389)=0.125858293138876E+02
|
|
gamma(00000389)=0.125858293138876E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 389
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000389)=0.000000000000000E+00
|
|
(calc=0.134760386903092E+02 read=0.134760386903092E+02)
|
|
Weight for this step=0.10464E+00 -.21029E+01
|
|
beta (00000390)=0.134760386903092E+02
|
|
gamma(00000390)=0.134760386903092E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 390
|
|
z1= 1 -.731788659172157E-03 0.000000000000000E+00
|
|
z1= 2 0.351956976749924E-05 0.000000000000000E+00
|
|
z1= 3 -.158862711949898E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000390)=0.000000000000000E+00
|
|
(calc=0.129061674007458E+02 read=0.129061674007458E+02)
|
|
Weight for this step=0.12795E+00 -.27512E+01
|
|
beta (00000391)=0.129061674007458E+02
|
|
gamma(00000391)=0.129061674007458E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 391
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000391)=0.000000000000000E+00
|
|
(calc=0.131950568497570E+02 read=0.131950568497570E+02)
|
|
Weight for this step=-.10256E+00 0.20562E+01
|
|
beta (00000392)=0.131950568497570E+02
|
|
gamma(00000392)=0.131950568497570E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 392
|
|
z1= 1 0.746036909228398E-03 0.000000000000000E+00
|
|
z1= 2 -.362883421400548E-05 0.000000000000000E+00
|
|
z1= 3 0.161863361191548E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000392)=0.000000000000000E+00
|
|
(calc=0.126542790396239E+02 read=0.126542790396239E+02)
|
|
Weight for this step=-.13039E+00 0.27930E+01
|
|
beta (00000393)=0.126542790396239E+02
|
|
gamma(00000393)=0.126542790396239E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 393
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000393)=0.000000000000000E+00
|
|
(calc=0.133841508143345E+02 read=0.133841508143345E+02)
|
|
Weight for this step=0.99977E-01 -.19996E+01
|
|
beta (00000394)=0.133841508143345E+02
|
|
gamma(00000394)=0.133841508143345E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 394
|
|
z1= 1 -.723099031477817E-03 0.000000000000000E+00
|
|
z1= 2 0.359631395692277E-05 0.000000000000000E+00
|
|
z1= 3 -.158805764730486E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000394)=0.000000000000000E+00
|
|
(calc=0.126876710057053E+02 read=0.126876710057053E+02)
|
|
Weight for this step=0.12832E+00 -.27385E+01
|
|
beta (00000395)=0.126876710057053E+02
|
|
gamma(00000395)=0.126876710057053E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 395
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000395)=0.000000000000000E+00
|
|
(calc=0.132038028396582E+02 read=0.132038028396582E+02)
|
|
Weight for this step=-.98629E-01 0.19681E+01
|
|
beta (00000396)=0.132038028396582E+02
|
|
gamma(00000396)=0.132038028396582E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 396
|
|
z1= 1 0.635033899586749E-03 0.000000000000000E+00
|
|
z1= 2 -.363862670948708E-05 0.000000000000000E+00
|
|
z1= 3 0.158564903764754E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000396)=0.000000000000000E+00
|
|
(calc=0.127102564059082E+02 read=0.127102564059082E+02)
|
|
Weight for this step=-.12834E+00 0.27290E+01
|
|
beta (00000397)=0.127102564059082E+02
|
|
gamma(00000397)=0.127102564059082E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 397
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000397)=0.000000000000000E+00
|
|
(calc=0.131579806495601E+02 read=0.131579806495601E+02)
|
|
Weight for this step=0.95634E-01 -.19040E+01
|
|
beta (00000398)=0.131579806495601E+02
|
|
gamma(00000398)=0.131579806495601E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 398
|
|
z1= 1 -.431202815231577E-03 0.000000000000000E+00
|
|
z1= 2 0.367843750192142E-05 0.000000000000000E+00
|
|
z1= 3 -.159063400498023E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000398)=0.000000000000000E+00
|
|
(calc=0.126877559231659E+02 read=0.126877559231659E+02)
|
|
Weight for this step=0.12888E+00 -.27308E+01
|
|
beta (00000399)=0.126877559231659E+02
|
|
gamma(00000399)=0.126877559231659E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 399
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000399)=0.000000000000000E+00
|
|
(calc=0.136083917669130E+02 read=0.136083917669130E+02)
|
|
Weight for this step=-.92314E-01 0.18336E+01
|
|
beta (00000400)=0.136083917669130E+02
|
|
gamma(00000400)=0.136083917669130E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 400
|
|
z1= 1 0.190075065094068E-03 0.000000000000000E+00
|
|
z1= 2 -.359823066047558E-05 0.000000000000000E+00
|
|
z1= 3 0.154609263904504E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000400)=0.000000000000000E+00
|
|
(calc=0.128719340976581E+02 read=0.128719340976581E+02)
|
|
Weight for this step=-.12474E+00 0.26343E+01
|
|
beta (00000401)=0.128719340976581E+02
|
|
gamma(00000401)=0.128719340976581E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 401
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000401)=0.000000000000000E+00
|
|
(calc=0.132282549626586E+02 read=0.132282549626586E+02)
|
|
Weight for this step=0.91048E-01 -.18046E+01
|
|
beta (00000402)=0.132282549626586E+02
|
|
gamma(00000402)=0.132282549626586E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 402
|
|
z1= 1 0.834522214406175E-04 0.000000000000000E+00
|
|
z1= 2 0.365877063925784E-05 0.000000000000000E+00
|
|
z1= 3 -.156010586265041E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000402)=0.000000000000000E+00
|
|
(calc=0.129674360628020E+02 read=0.129674360628020E+02)
|
|
Weight for this step=0.12602E+00 -.26526E+01
|
|
beta (00000403)=0.129674360628020E+02
|
|
gamma(00000403)=0.129674360628020E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 403
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000403)=0.000000000000000E+00
|
|
(calc=0.133464190932160E+02 read=0.133464190932160E+02)
|
|
Weight for this step=-.86313E-01 0.17070E+01
|
|
beta (00000404)=0.133464190932160E+02
|
|
gamma(00000404)=0.133464190932160E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 404
|
|
z1= 1 -.280664616802044E-03 0.000000000000000E+00
|
|
z1= 2 -.371387371356138E-05 0.000000000000000E+00
|
|
z1= 3 0.156715869557627E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000404)=0.000000000000000E+00
|
|
(calc=0.126603067878984E+02 read=0.126603067878984E+02)
|
|
Weight for this step=-.12680E+00 0.26610E+01
|
|
beta (00000405)=0.126603067878984E+02
|
|
gamma(00000405)=0.126603067878984E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 405
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000405)=0.000000000000000E+00
|
|
(calc=0.135477429842835E+02 read=0.135477429842835E+02)
|
|
Weight for this step=0.84224E-01 -.16619E+01
|
|
beta (00000406)=0.135477429842835E+02
|
|
gamma(00000406)=0.135477429842835E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 406
|
|
z1= 1 0.445851546046762E-03 0.000000000000000E+00
|
|
z1= 2 0.361801634227404E-05 0.000000000000000E+00
|
|
z1= 3 -.151489390767877E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000406)=0.000000000000000E+00
|
|
(calc=0.127114680078995E+02 read=0.127114680078995E+02)
|
|
Weight for this step=0.12269E+00 -.25670E+01
|
|
beta (00000407)=0.127114680078995E+02
|
|
gamma(00000407)=0.127114680078995E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 407
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000407)=0.000000000000000E+00
|
|
(calc=0.130764909171738E+02 read=0.130764909171738E+02)
|
|
Weight for this step=-.83245E-01 0.16391E+01
|
|
beta (00000408)=0.130764909171738E+02
|
|
gamma(00000408)=0.130764909171738E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 408
|
|
z1= 1 -.686866310734096E-03 0.000000000000000E+00
|
|
z1= 2 -.368943701609939E-05 0.000000000000000E+00
|
|
z1= 3 0.153817252869596E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000408)=0.000000000000000E+00
|
|
(calc=0.129445442339463E+02 read=0.129445442339463E+02)
|
|
Weight for this step=-.12356E+00 0.25774E+01
|
|
beta (00000409)=0.129445442339463E+02
|
|
gamma(00000409)=0.129445442339463E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 409
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000409)=0.000000000000000E+00
|
|
(calc=0.133572041136436E+02 read=0.133572041136436E+02)
|
|
Weight for this step=0.77647E-01 -.15255E+01
|
|
beta (00000410)=0.133572041136436E+02
|
|
gamma(00000410)=0.133572041136436E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 410
|
|
z1= 1 0.927455071898040E-03 0.000000000000000E+00
|
|
z1= 2 0.374702782119578E-05 0.000000000000000E+00
|
|
z1= 3 -.154843940180480E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000410)=0.000000000000000E+00
|
|
(calc=0.128095677899156E+02 read=0.128095677899156E+02)
|
|
Weight for this step=0.12366E+00 -.25725E+01
|
|
beta (00000411)=0.128095677899156E+02
|
|
gamma(00000411)=0.128095677899156E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 411
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000411)=0.000000000000000E+00
|
|
(calc=0.138140861407431E+02 read=0.138140861407431E+02)
|
|
Weight for this step=-.74446E-01 0.14592E+01
|
|
beta (00000412)=0.138140861407431E+02
|
|
gamma(00000412)=0.138140861407431E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 412
|
|
z1= 1 -.106199446160312E-02 0.000000000000000E+00
|
|
z1= 2 -.363388861376619E-05 0.000000000000000E+00
|
|
z1= 3 0.150529055998149E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000412)=0.000000000000000E+00
|
|
(calc=0.124499136145000E+02 read=0.124499136145000E+02)
|
|
Weight for this step=-.11830E+00 0.24546E+01
|
|
beta (00000413)=0.124499136145000E+02
|
|
gamma(00000413)=0.124499136145000E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 413
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000413)=0.000000000000000E+00
|
|
(calc=0.133787633226410E+02 read=0.133787633226410E+02)
|
|
Weight for this step=0.76186E-01 -.14901E+01
|
|
beta (00000414)=0.133787633226410E+02
|
|
gamma(00000414)=0.133787633226410E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 414
|
|
z1= 1 0.111323811915035E-02 0.000000000000000E+00
|
|
z1= 2 0.355690483681273E-05 0.000000000000000E+00
|
|
z1= 3 -.146614219978774E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000414)=0.000000000000000E+00
|
|
(calc=0.130605904309975E+02 read=0.130605904309975E+02)
|
|
Weight for this step=0.11392E+00 -.23571E+01
|
|
beta (00000415)=0.130605904309975E+02
|
|
gamma(00000415)=0.130605904309975E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 415
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000415)=0.000000000000000E+00
|
|
(calc=0.135228180034523E+02 read=0.135228180034523E+02)
|
|
Weight for this step=-.72152E-01 0.14082E+01
|
|
beta (00000416)=0.135228180034523E+02
|
|
gamma(00000416)=0.135228180034523E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 416
|
|
z1= 1 -.106535506769477E-02 0.000000000000000E+00
|
|
z1= 2 -.360894324256044E-05 0.000000000000000E+00
|
|
z1= 3 0.148757284969835E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000416)=0.000000000000000E+00
|
|
(calc=0.126275286424197E+02 read=0.126275286424197E+02)
|
|
Weight for this step=-.11363E+00 0.23447E+01
|
|
beta (00000417)=0.126275286424197E+02
|
|
gamma(00000417)=0.126275286424197E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 417
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000417)=0.000000000000000E+00
|
|
(calc=0.138147967798930E+02 read=0.138147967798930E+02)
|
|
Weight for this step=0.71191E-01 -.13865E+01
|
|
beta (00000418)=0.138147967798930E+02
|
|
gamma(00000418)=0.138147967798930E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 418
|
|
z1= 1 0.855623342311018E-03 0.000000000000000E+00
|
|
z1= 2 0.347840254424090E-05 0.000000000000000E+00
|
|
z1= 3 -.142186264193476E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000418)=0.000000000000000E+00
|
|
(calc=0.126621244888621E+02 read=0.126621244888621E+02)
|
|
Weight for this step=0.10734E+00 -.22089E+01
|
|
beta (00000419)=0.126621244888621E+02
|
|
gamma(00000419)=0.126621244888621E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 419
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000419)=0.000000000000000E+00
|
|
(calc=0.135334976896664E+02 read=0.135334976896664E+02)
|
|
Weight for this step=-.71949E-01 0.13986E+01
|
|
beta (00000420)=0.135334976896664E+02
|
|
gamma(00000420)=0.135334976896664E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 420
|
|
z1= 1 -.679883375782286E-03 0.000000000000000E+00
|
|
z1= 2 -.343535056970649E-05 0.000000000000000E+00
|
|
z1= 3 0.140527138238778E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000420)=0.000000000000000E+00
|
|
(calc=0.128427746894213E+02 read=0.128427746894213E+02)
|
|
Weight for this step=-.10401E+00 0.21343E+01
|
|
beta (00000421)=0.128427746894213E+02
|
|
gamma(00000421)=0.128427746894213E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 421
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000421)=0.000000000000000E+00
|
|
(calc=0.130972341905300E+02 read=0.130972341905300E+02)
|
|
Weight for this step=0.70351E-01 -.13650E+01
|
|
beta (00000422)=0.130972341905300E+02
|
|
gamma(00000422)=0.130972341905300E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 422
|
|
z1= 1 0.621546045991187E-03 0.000000000000000E+00
|
|
z1= 2 0.355050586750344E-05 0.000000000000000E+00
|
|
z1= 3 -.145380588207378E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000422)=0.000000000000000E+00
|
|
(calc=0.127561521678028E+02 read=0.127561521678028E+02)
|
|
Weight for this step=0.10561E+00 -.21610E+01
|
|
beta (00000423)=0.127561521678028E+02
|
|
gamma(00000423)=0.127561521678028E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 423
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000423)=0.000000000000000E+00
|
|
(calc=0.136009918701737E+02 read=0.136009918701737E+02)
|
|
Weight for this step=-.66643E-01 0.12906E+01
|
|
beta (00000424)=0.136009918701737E+02
|
|
gamma(00000424)=0.136009918701737E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 424
|
|
z1= 1 -.547658655345090E-03 0.000000000000000E+00
|
|
z1= 2 -.350312464365539E-05 0.000000000000000E+00
|
|
z1= 3 0.143489376920379E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000424)=0.000000000000000E+00
|
|
(calc=0.123518097895918E+02 read=0.123518097895918E+02)
|
|
Weight for this step=-.10235E+00 0.20889E+01
|
|
beta (00000425)=0.123518097895918E+02
|
|
gamma(00000425)=0.123518097895918E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 425
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000425)=0.000000000000000E+00
|
|
(calc=0.137429575264373E+02 read=0.137429575264373E+02)
|
|
Weight for this step=0.67789E-01 -.13105E+01
|
|
beta (00000426)=0.137429575264373E+02
|
|
gamma(00000426)=0.137429575264373E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 426
|
|
z1= 1 0.422046302059281E-03 0.000000000000000E+00
|
|
z1= 2 0.332413442111126E-05 0.000000000000000E+00
|
|
z1= 3 -.137278654819390E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000426)=0.000000000000000E+00
|
|
(calc=0.127408145603928E+02 read=0.127408145603928E+02)
|
|
Weight for this step=0.95314E-01 -.19399E+01
|
|
beta (00000427)=0.127408145603928E+02
|
|
gamma(00000427)=0.127408145603928E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 427
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000427)=0.000000000000000E+00
|
|
(calc=0.133045013934137E+02 read=0.133045013934137E+02)
|
|
Weight for this step=-.68072E-01 0.13139E+01
|
|
beta (00000428)=0.133045013934137E+02
|
|
gamma(00000428)=0.133045013934137E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 428
|
|
z1= 1 -.212886656578828E-03 0.000000000000000E+00
|
|
z1= 2 -.336399109907362E-05 0.000000000000000E+00
|
|
z1= 3 0.141780779951001E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000428)=0.000000000000000E+00
|
|
(calc=0.128353464594813E+02 read=0.128353464594813E+02)
|
|
Weight for this step=-.94724E-01 0.19223E+01
|
|
beta (00000429)=0.128353464594813E+02
|
|
gamma(00000429)=0.128353464594813E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 429
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000429)=0.000000000000000E+00
|
|
(calc=0.132090488525703E+02 read=0.132090488525703E+02)
|
|
Weight for this step=0.65580E-01 -.12639E+01
|
|
beta (00000430)=0.132090488525703E+02
|
|
gamma(00000430)=0.132090488525703E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 430
|
|
z1= 1 -.141134921126863E-03 0.000000000000000E+00
|
|
z1= 2 0.345564149121158E-05 0.000000000000000E+00
|
|
z1= 3 -.145981437012482E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000430)=0.000000000000000E+00
|
|
(calc=0.129472393630367E+02 read=0.129472393630367E+02)
|
|
Weight for this step=0.95390E-01 -.19306E+01
|
|
beta (00000431)=0.129472393630367E+02
|
|
gamma(00000431)=0.129472393630367E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 431
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000431)=0.000000000000000E+00
|
|
(calc=0.135190732045103E+02 read=0.135190732045103E+02)
|
|
Weight for this step=-.61934E-01 0.11918E+01
|
|
beta (00000432)=0.135190732045103E+02
|
|
gamma(00000432)=0.135190732045103E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 432
|
|
z1= 1 0.469648906546353E-03 0.000000000000000E+00
|
|
z1= 2 -.347195752868883E-05 0.000000000000000E+00
|
|
z1= 3 0.147050634908619E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000432)=0.000000000000000E+00
|
|
(calc=0.125895540199686E+02 read=0.125895540199686E+02)
|
|
Weight for this step=-.94442E-01 0.19066E+01
|
|
beta (00000433)=0.125895540199686E+02
|
|
gamma(00000433)=0.125895540199686E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 433
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000433)=0.000000000000000E+00
|
|
(calc=0.137837564661999E+02 read=0.137837564661999E+02)
|
|
Weight for this step=0.61445E-01 -.11807E+01
|
|
beta (00000434)=0.137837564661999E+02
|
|
gamma(00000434)=0.137837564661999E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 434
|
|
z1= 1 -.699355505337226E-03 0.000000000000000E+00
|
|
z1= 2 0.333704105134978E-05 0.000000000000000E+00
|
|
z1= 3 -.141463466799799E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000434)=0.000000000000000E+00
|
|
(calc=0.128837839046491E+02 read=0.128837839046491E+02)
|
|
Weight for this step=0.89263E-01 -.17975E+01
|
|
beta (00000435)=0.128837839046491E+02
|
|
gamma(00000435)=0.128837839046491E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 435
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000435)=0.000000000000000E+00
|
|
(calc=0.132266241766140E+02 read=0.132266241766140E+02)
|
|
Weight for this step=-.61062E-01 0.11719E+01
|
|
beta (00000436)=0.132266241766140E+02
|
|
gamma(00000436)=0.132266241766140E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 436
|
|
z1= 1 0.900406287770350E-03 0.000000000000000E+00
|
|
z1= 2 -.343402331154331E-05 0.000000000000000E+00
|
|
z1= 3 0.147271416023288E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000436)=0.000000000000000E+00
|
|
(calc=0.129067969303855E+02 read=0.129067969303855E+02)
|
|
Weight for this step=-.90060E-01 0.18089E+01
|
|
beta (00000437)=0.129067969303855E+02
|
|
gamma(00000437)=0.129067969303855E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 437
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000437)=0.000000000000000E+00
|
|
(calc=0.128547305937039E+02 read=0.128547305937039E+02)
|
|
Weight for this step=0.57867E-01 -.11092E+01
|
|
beta (00000438)=0.128547305937039E+02
|
|
gamma(00000438)=0.128547305937039E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 438
|
|
z1= 1 -.935412505457206E-03 0.000000000000000E+00
|
|
z1= 2 0.364537805887960E-05 0.000000000000000E+00
|
|
z1= 3 -.157846722737736E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000438)=0.000000000000000E+00
|
|
(calc=0.127824577418095E+02 read=0.127824577418095E+02)
|
|
Weight for this step=0.93458E-01 -.18727E+01
|
|
beta (00000439)=0.127824577418095E+02
|
|
gamma(00000439)=0.127824577418095E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 439
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000439)=0.000000000000000E+00
|
|
(calc=0.133184598040274E+02 read=0.133184598040274E+02)
|
|
Weight for this step=-.53262E-01 0.10195E+01
|
|
beta (00000440)=0.133184598040274E+02
|
|
gamma(00000440)=0.133184598040274E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 440
|
|
z1= 1 0.810557675769655E-03 0.000000000000000E+00
|
|
z1= 2 -.369890815444260E-05 0.000000000000000E+00
|
|
z1= 3 0.160453326996496E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000440)=0.000000000000000E+00
|
|
(calc=0.124654961302202E+02 read=0.124654961302202E+02)
|
|
Weight for this step=-.92391E-01 0.18474E+01
|
|
beta (00000441)=0.124654961302202E+02
|
|
gamma(00000441)=0.124654961302202E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 441
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000441)=0.000000000000000E+00
|
|
(calc=0.134802936431358E+02 read=0.134802936431358E+02)
|
|
Weight for this step=0.51906E-01 -.99229E+00
|
|
beta (00000442)=0.134802936431358E+02
|
|
gamma(00000442)=0.134802936431358E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 442
|
|
z1= 1 -.516499840829411E-03 0.000000000000000E+00
|
|
z1= 2 0.361668916411522E-05 0.000000000000000E+00
|
|
z1= 3 -.157822567910574E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000442)=0.000000000000000E+00
|
|
(calc=0.125905811277231E+02 read=0.125905811277231E+02)
|
|
Weight for this step=0.88030E-01 -.17565E+01
|
|
beta (00000443)=0.125905811277231E+02
|
|
gamma(00000443)=0.125905811277231E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 443
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000443)=0.000000000000000E+00
|
|
(calc=0.133373870821853E+02 read=0.133373870821853E+02)
|
|
Weight for this step=-.50858E-01 0.97110E+00
|
|
beta (00000444)=0.133373870821853E+02
|
|
gamma(00000444)=0.133373870821853E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 444
|
|
z1= 1 0.180584493924575E-03 0.000000000000000E+00
|
|
z1= 2 -.363002011056525E-05 0.000000000000000E+00
|
|
z1= 3 0.159138073648553E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000444)=0.000000000000000E+00
|
|
(calc=0.132098622582981E+02 read=0.132098622582981E+02)
|
|
Weight for this step=-.85670E-01 0.17058E+01
|
|
beta (00000445)=0.132098622582981E+02
|
|
gamma(00000445)=0.132098622582981E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 445
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000445)=0.000000000000000E+00
|
|
(calc=0.130285548453076E+02 read=0.130285548453076E+02)
|
|
Weight for this step=0.46975E-01 -.89595E+00
|
|
beta (00000446)=0.130285548453076E+02
|
|
gamma(00000446)=0.130285548453076E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 446
|
|
z1= 1 0.130021097275945E-03 0.000000000000000E+00
|
|
z1= 2 0.390303612414662E-05 0.000000000000000E+00
|
|
z1= 3 -.171093881599612E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000446)=0.000000000000000E+00
|
|
(calc=0.129522390838715E+02 read=0.129522390838715E+02)
|
|
Weight for this step=0.89291E-01 -.17746E+01
|
|
beta (00000447)=0.129522390838715E+02
|
|
gamma(00000447)=0.129522390838715E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 447
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000447)=0.000000000000000E+00
|
|
(calc=0.132092080495859E+02 read=0.132092080495859E+02)
|
|
Weight for this step=-.42602E-01 0.81154E+00
|
|
beta (00000448)=0.132092080495859E+02
|
|
gamma(00000448)=0.132092080495859E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 448
|
|
z1= 1 -.343919605104527E-03 0.000000000000000E+00
|
|
z1= 2 -.403725654792454E-05 0.000000000000000E+00
|
|
z1= 3 0.176583130495817E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000448)=0.000000000000000E+00
|
|
(calc=0.129489703402699E+02 read=0.129489703402699E+02)
|
|
Weight for this step=-.89727E-01 0.17803E+01
|
|
beta (00000449)=0.129489703402699E+02
|
|
gamma(00000449)=0.129489703402699E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 449
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000449)=0.000000000000000E+00
|
|
(calc=0.136503994660051E+02 read=0.136503994660051E+02)
|
|
Weight for this step=0.38785E-01 -.73786E+00
|
|
beta (00000450)=0.136503994660051E+02
|
|
gamma(00000450)=0.136503994660051E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 450
|
|
z1= 1 0.462366898619949E-03 0.000000000000000E+00
|
|
z1= 2 0.401715509397698E-05 0.000000000000000E+00
|
|
z1= 3 -.174798004568964E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000450)=0.000000000000000E+00
|
|
(calc=0.124501796398890E+02 read=0.124501796398890E+02)
|
|
Weight for this step=0.87030E-01 -.17242E+01
|
|
beta (00000451)=0.124501796398890E+02
|
|
gamma(00000451)=0.124501796398890E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 451
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000451)=0.000000000000000E+00
|
|
(calc=0.137434180887783E+02 read=0.137434180887783E+02)
|
|
Weight for this step=-.37809E-01 0.71835E+00
|
|
beta (00000452)=0.137434180887783E+02
|
|
gamma(00000452)=0.137434180887783E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 452
|
|
z1= 1 -.621808969288577E-03 0.000000000000000E+00
|
|
z1= 2 -.382856706656297E-05 0.000000000000000E+00
|
|
z1= 3 0.166193210556441E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000452)=0.000000000000000E+00
|
|
(calc=0.123493020496221E+02 read=0.123493020496221E+02)
|
|
Weight for this step=-.80694E-01 0.15962E+01
|
|
beta (00000453)=0.123493020496221E+02
|
|
gamma(00000453)=0.123493020496221E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 453
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000453)=0.000000000000000E+00
|
|
(calc=0.136342995678223E+02 read=0.136342995678223E+02)
|
|
Weight for this step=0.37671E-01 -.71484E+00
|
|
beta (00000454)=0.136342995678223E+02
|
|
gamma(00000454)=0.136342995678223E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 454
|
|
z1= 1 0.741023024345253E-03 0.000000000000000E+00
|
|
z1= 2 0.367567656215598E-05 0.000000000000000E+00
|
|
z1= 3 -.159860420652044E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000454)=0.000000000000000E+00
|
|
(calc=0.124949139211444E+02 read=0.124949139211444E+02)
|
|
Weight for this step=0.74949E-01 -.14800E+01
|
|
beta (00000455)=0.124949139211444E+02
|
|
gamma(00000455)=0.124949139211444E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 455
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000455)=0.000000000000000E+00
|
|
(calc=0.136130168730011E+02 read=0.136130168730011E+02)
|
|
Weight for this step=-.37061E-01 0.70249E+00
|
|
beta (00000456)=0.136130168730011E+02
|
|
gamma(00000456)=0.136130168730011E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 456
|
|
z1= 1 -.936953181289920E-03 0.000000000000000E+00
|
|
z1= 2 -.358701196746455E-05 0.000000000000000E+00
|
|
z1= 3 0.155583053553236E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000456)=0.000000000000000E+00
|
|
(calc=0.127298204930840E+02 read=0.127298204930840E+02)
|
|
Weight for this step=-.70627E-01 0.13923E+01
|
|
beta (00000457)=0.127298204930840E+02
|
|
gamma(00000457)=0.127298204930840E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 457
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000457)=0.000000000000000E+00
|
|
(calc=0.134663517420900E+02 read=0.134663517420900E+02)
|
|
Weight for this step=0.35891E-01 -.67965E+00
|
|
beta (00000458)=0.134663517420900E+02
|
|
gamma(00000458)=0.134663517420900E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 458
|
|
z1= 1 0.110744827027448E-02 0.000000000000000E+00
|
|
z1= 2 0.361740527831354E-05 0.000000000000000E+00
|
|
z1= 3 -.157641902574920E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000458)=0.000000000000000E+00
|
|
(calc=0.129361034517672E+02 read=0.129361034517672E+02)
|
|
Weight for this step=0.68559E-01 -.13491E+01
|
|
beta (00000459)=0.129361034517672E+02
|
|
gamma(00000459)=0.129361034517672E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 459
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000459)=0.000000000000000E+00
|
|
(calc=0.134362693098057E+02 read=0.134362693098057E+02)
|
|
Weight for this step=-.33789E-01 0.63924E+00
|
|
beta (00000460)=0.134362693098057E+02
|
|
gamma(00000460)=0.134362693098057E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 460
|
|
z1= 1 -.121700640555271E-02 0.000000000000000E+00
|
|
z1= 2 -.371424673451318E-05 0.000000000000000E+00
|
|
z1= 3 0.160257434332194E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000460)=0.000000000000000E+00
|
|
(calc=0.127149949115567E+02 read=0.127149949115567E+02)
|
|
Weight for this step=-.67701E-01 0.13301E+01
|
|
beta (00000461)=0.127149949115567E+02
|
|
gamma(00000461)=0.127149949115567E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 461
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000461)=0.000000000000000E+00
|
|
(calc=0.133073112577846E+02 read=0.133073112577846E+02)
|
|
Weight for this step=0.32115E-01 -.60703E+00
|
|
beta (00000462)=0.133073112577846E+02
|
|
gamma(00000462)=0.133073112577846E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 462
|
|
z1= 1 0.123543122794726E-02 0.000000000000000E+00
|
|
z1= 2 0.377721131388561E-05 0.000000000000000E+00
|
|
z1= 3 -.163677120358614E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000462)=0.000000000000000E+00
|
|
(calc=0.130288446758394E+02 read=0.130288446758394E+02)
|
|
Weight for this step=0.66313E-01 -.13007E+01
|
|
beta (00000463)=0.130288446758394E+02
|
|
gamma(00000463)=0.130288446758394E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 463
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000463)=0.000000000000000E+00
|
|
(calc=0.134211066086419E+02 read=0.134211066086419E+02)
|
|
Weight for this step=-.29370E-01 0.55466E+00
|
|
beta (00000464)=0.134211066086419E+02
|
|
gamma(00000464)=0.134211066086419E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 464
|
|
z1= 1 -.114517419475710E-02 0.000000000000000E+00
|
|
z1= 2 -.389714173639616E-05 0.000000000000000E+00
|
|
z1= 3 0.169531651424192E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000464)=0.000000000000000E+00
|
|
(calc=0.126554435142617E+02 read=0.126554435142617E+02)
|
|
Weight for this step=-.65849E-01 0.12898E+01
|
|
beta (00000465)=0.126554435142617E+02
|
|
gamma(00000465)=0.126554435142617E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 465
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000465)=0.000000000000000E+00
|
|
(calc=0.134457802317464E+02 read=0.134457802317464E+02)
|
|
Weight for this step=0.27639E-01 -.52151E+00
|
|
beta (00000466)=0.134457802317464E+02
|
|
gamma(00000466)=0.134457802317464E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 466
|
|
z1= 1 0.100085258176513E-02 0.000000000000000E+00
|
|
z1= 2 0.388267008028572E-05 0.000000000000000E+00
|
|
z1= 3 -.170612321031139E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000466)=0.000000000000000E+00
|
|
(calc=0.128140918120264E+02 read=0.128140918120264E+02)
|
|
Weight for this step=0.63363E-01 -.12393E+01
|
|
beta (00000467)=0.128140918120264E+02
|
|
gamma(00000467)=0.128140918120264E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 467
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000467)=0.000000000000000E+00
|
|
(calc=0.136873194631174E+02 read=0.136873194631174E+02)
|
|
Weight for this step=-.25668E-01 0.48391E+00
|
|
beta (00000468)=0.136873194631174E+02
|
|
gamma(00000468)=0.136873194631174E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 468
|
|
z1= 1 -.837773068858430E-03 0.000000000000000E+00
|
|
z1= 2 -.385430773155657E-05 0.000000000000000E+00
|
|
z1= 3 0.169608985968987E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000468)=0.000000000000000E+00
|
|
(calc=0.126931662935652E+02 read=0.126931662935652E+02)
|
|
Weight for this step=-.60583E-01 0.11834E+01
|
|
beta (00000469)=0.126931662935652E+02
|
|
gamma(00000469)=0.126931662935652E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 469
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000469)=0.000000000000000E+00
|
|
(calc=0.136810340673466E+02 read=0.136810340673466E+02)
|
|
Weight for this step=0.24461E-01 -.46079E+00
|
|
beta (00000470)=0.136810340673466E+02
|
|
gamma(00000470)=0.136810340673466E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 470
|
|
z1= 1 0.603029780009937E-03 0.000000000000000E+00
|
|
z1= 2 0.380373454803538E-05 0.000000000000000E+00
|
|
z1= 3 -.168181379574771E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000470)=0.000000000000000E+00
|
|
(calc=0.127563526729678E+02 read=0.127563526729678E+02)
|
|
Weight for this step=0.57413E-01 -.11200E+01
|
|
beta (00000471)=0.127563526729678E+02
|
|
gamma(00000471)=0.127563526729678E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 471
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000471)=0.000000000000000E+00
|
|
(calc=0.133838544216372E+02 read=0.133838544216372E+02)
|
|
Weight for this step=-.23200E-01 0.43672E+00
|
|
beta (00000472)=0.133838544216372E+02
|
|
gamma(00000472)=0.133838544216372E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 472
|
|
z1= 1 -.376735457744868E-03 0.000000000000000E+00
|
|
z1= 2 -.385232827655995E-05 0.000000000000000E+00
|
|
z1= 3 0.170642450942916E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000472)=0.000000000000000E+00
|
|
(calc=0.126367553213281E+02 read=0.126367553213281E+02)
|
|
Weight for this step=-.55888E-01 0.10888E+01
|
|
beta (00000473)=0.126367553213281E+02
|
|
gamma(00000473)=0.126367553213281E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 473
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000473)=0.000000000000000E+00
|
|
(calc=0.134964225133256E+02 read=0.134964225133256E+02)
|
|
Weight for this step=0.21590E-01 -.40614E+00
|
|
beta (00000474)=0.134964225133256E+02
|
|
gamma(00000474)=0.134964225133256E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 474
|
|
z1= 1 0.138549868665551E-03 0.000000000000000E+00
|
|
z1= 2 0.384656455102578E-05 0.000000000000000E+00
|
|
z1= 3 -.170023503953855E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000474)=0.000000000000000E+00
|
|
(calc=0.127392707719931E+02 read=0.127392707719931E+02)
|
|
Weight for this step=0.53406E-01 -.10392E+01
|
|
beta (00000475)=0.127392707719931E+02
|
|
gamma(00000475)=0.127392707719931E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 475
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000475)=0.000000000000000E+00
|
|
(calc=0.133043198668531E+02 read=0.133043198668531E+02)
|
|
Weight for this step=-.20048E-01 0.37689E+00
|
|
beta (00000476)=0.133043198668531E+02
|
|
gamma(00000476)=0.133043198668531E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 476
|
|
z1= 1 -.366766064946022E-05 0.000000000000000E+00
|
|
z1= 2 -.393597855522041E-05 0.000000000000000E+00
|
|
z1= 3 0.173681874291300E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000476)=0.000000000000000E+00
|
|
(calc=0.126415206127251E+02 read=0.126415206127251E+02)
|
|
Weight for this step=-.52152E-01 0.10136E+01
|
|
beta (00000477)=0.126415206127251E+02
|
|
gamma(00000477)=0.126415206127251E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 477
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000477)=0.000000000000000E+00
|
|
(calc=0.133306174541952E+02 read=0.133306174541952E+02)
|
|
Weight for this step=0.18318E-01 -.34417E+00
|
|
beta (00000478)=0.133306174541952E+02
|
|
gamma(00000478)=0.133306174541952E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 478
|
|
z1= 1 -.892032300335082E-04 0.000000000000000E+00
|
|
z1= 2 0.400478149081840E-05 0.000000000000000E+00
|
|
z1= 3 -.176227297179446E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000478)=0.000000000000000E+00
|
|
(calc=0.126280448310345E+02 read=0.126280448310345E+02)
|
|
Weight for this step=0.50382E-01 -.97810E+00
|
|
beta (00000479)=0.126280448310345E+02
|
|
gamma(00000479)=0.126280448310345E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 479
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000479)=0.000000000000000E+00
|
|
(calc=0.133935289410988E+02 read=0.133935289410988E+02)
|
|
Weight for this step=-.16648E-01 0.31262E+00
|
|
beta (00000480)=0.133935289410988E+02
|
|
gamma(00000480)=0.133935289410988E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 480
|
|
z1= 1 0.171074197255220E-03 0.000000000000000E+00
|
|
z1= 2 -.406042373348944E-05 0.000000000000000E+00
|
|
z1= 3 0.178952924324762E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000480)=0.000000000000000E+00
|
|
(calc=0.126439291117072E+02 read=0.126439291117072E+02)
|
|
Weight for this step=-.48339E-01 0.93747E+00
|
|
beta (00000481)=0.126439291117072E+02
|
|
gamma(00000481)=0.126439291117072E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 481
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000481)=0.000000000000000E+00
|
|
(calc=0.134762709232779E+02 read=0.134762709232779E+02)
|
|
Weight for this step=0.15059E-01 -.28262E+00
|
|
beta (00000482)=0.134762709232779E+02
|
|
gamma(00000482)=0.134762709232779E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 482
|
|
z1= 1 -.274925377297743E-03 0.000000000000000E+00
|
|
z1= 2 0.410436959185105E-05 0.000000000000000E+00
|
|
z1= 3 -.182160806376714E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000482)=0.000000000000000E+00
|
|
(calc=0.127040134614102E+02 read=0.127040134614102E+02)
|
|
Weight for this step=0.46106E-01 -.89330E+00
|
|
beta (00000483)=0.127040134614102E+02
|
|
gamma(00000483)=0.127040134614102E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 483
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000483)=0.000000000000000E+00
|
|
(calc=0.136554939522722E+02 read=0.136554939522722E+02)
|
|
Weight for this step=-.13528E-01 0.25378E+00
|
|
beta (00000484)=0.136554939522722E+02
|
|
gamma(00000484)=0.136554939522722E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 484
|
|
z1= 1 0.373545215582915E-03 0.000000000000000E+00
|
|
z1= 2 -.411070348120416E-05 0.000000000000000E+00
|
|
z1= 3 0.182983376707547E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000484)=0.000000000000000E+00
|
|
(calc=0.126719401506223E+02 read=0.126719401506223E+02)
|
|
Weight for this step=-.43560E-01 0.84322E+00
|
|
beta (00000485)=0.126719401506223E+02
|
|
gamma(00000485)=0.126719401506223E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 485
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000485)=0.000000000000000E+00
|
|
(calc=0.132368022462890E+02 read=0.132368022462890E+02)
|
|
Weight for this step=0.12261E-01 -.22992E+00
|
|
beta (00000486)=0.132368022462890E+02
|
|
gamma(00000486)=0.132368022462890E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 486
|
|
z1= 1 -.477481808089238E-03 0.000000000000000E+00
|
|
z1= 2 0.426980029952445E-05 0.000000000000000E+00
|
|
z1= 3 -.189884857320811E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000486)=0.000000000000000E+00
|
|
(calc=0.124437256507087E+02 read=0.124437256507087E+02)
|
|
Weight for this step=0.42325E-01 -.81861E+00
|
|
beta (00000487)=0.124437256507087E+02
|
|
gamma(00000487)=0.124437256507087E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 487
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000487)=0.000000000000000E+00
|
|
(calc=0.134512616801075E+02 read=0.134512616801075E+02)
|
|
Weight for this step=-.10750E-01 0.20151E+00
|
|
beta (00000488)=0.134512616801075E+02
|
|
gamma(00000488)=0.134512616801075E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 488
|
|
z1= 1 0.507203962256171E-03 0.000000000000000E+00
|
|
z1= 2 -.428399820041414E-05 0.000000000000000E+00
|
|
z1= 3 0.192127805964527E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000488)=0.000000000000000E+00
|
|
(calc=0.128384062570810E+02 read=0.128384062570810E+02)
|
|
Weight for this step=-.39693E-01 0.76710E+00
|
|
beta (00000489)=0.128384062570810E+02
|
|
gamma(00000489)=0.128384062570810E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 489
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000489)=0.000000000000000E+00
|
|
(calc=0.132658307660352E+02 read=0.132658307660352E+02)
|
|
Weight for this step=0.91799E-02 -.17202E+00
|
|
beta (00000490)=0.132658307660352E+02
|
|
gamma(00000490)=0.132658307660352E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 490
|
|
z1= 1 -.576552481751443E-03 0.000000000000000E+00
|
|
z1= 2 0.450459610865095E-05 0.000000000000000E+00
|
|
z1= 3 -.202321591731763E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000490)=0.000000000000000E+00
|
|
(calc=0.125999663666642E+02 read=0.125999663666642E+02)
|
|
Weight for this step=0.38880E-01 -.75087E+00
|
|
beta (00000491)=0.125999663666642E+02
|
|
gamma(00000491)=0.125999663666642E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 491
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000491)=0.000000000000000E+00
|
|
(calc=0.134509673228159E+02 read=0.134509673228159E+02)
|
|
Weight for this step=-.75855E-02 0.14211E+00
|
|
beta (00000492)=0.134509673228159E+02
|
|
gamma(00000492)=0.134509673228159E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 492
|
|
z1= 1 0.648778494445113E-03 0.000000000000000E+00
|
|
z1= 2 -.456359526662784E-05 0.000000000000000E+00
|
|
z1= 3 0.206682151953539E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000492)=0.000000000000000E+00
|
|
(calc=0.127242785940630E+02 read=0.127242785940630E+02)
|
|
Weight for this step=-.36800E-01 0.71028E+00
|
|
beta (00000493)=0.127242785940630E+02
|
|
gamma(00000493)=0.127242785940630E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 493
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000493)=0.000000000000000E+00
|
|
(calc=0.132863276692116E+02 read=0.132863276692116E+02)
|
|
Weight for this step=0.60697E-02 -.11369E+00
|
|
beta (00000494)=0.132863276692116E+02
|
|
gamma(00000494)=0.132863276692116E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 494
|
|
z1= 1 -.798206549711888E-03 0.000000000000000E+00
|
|
z1= 2 0.473664903291159E-05 0.000000000000000E+00
|
|
z1= 3 -.214869906296312E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000494)=0.000000000000000E+00
|
|
(calc=0.124537550776820E+02 read=0.124537550776820E+02)
|
|
Weight for this step=0.35551E-01 -.68583E+00
|
|
beta (00000495)=0.124537550776820E+02
|
|
gamma(00000495)=0.124537550776820E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 495
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000495)=0.000000000000000E+00
|
|
(calc=0.134982417785749E+02 read=0.134982417785749E+02)
|
|
Weight for this step=-.45517E-02 0.85240E-01
|
|
beta (00000496)=0.134982417785749E+02
|
|
gamma(00000496)=0.134982417785749E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 496
|
|
z1= 1 0.848248345609175E-03 0.000000000000000E+00
|
|
z1= 2 -.471985549351395E-05 0.000000000000000E+00
|
|
z1= 3 0.216966278016257E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000496)=0.000000000000000E+00
|
|
(calc=0.128385623256766E+02 read=0.128385623256766E+02)
|
|
Weight for this step=-.33027E-01 0.63690E+00
|
|
beta (00000497)=0.128385623256766E+02
|
|
gamma(00000497)=0.128385623256766E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 497
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000497)=0.000000000000000E+00
|
|
(calc=0.133352450564169E+02 read=0.133352450564169E+02)
|
|
Weight for this step=0.30521E-02 -.57148E-01
|
|
beta (00000498)=0.133352450564169E+02
|
|
gamma(00000498)=0.133352450564169E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 498
|
|
z1= 1 -.918775332722639E-03 0.000000000000000E+00
|
|
z1= 2 0.494101645996366E-05 0.000000000000000E+00
|
|
z1= 3 -.225915670947811E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000498)=0.000000000000000E+00
|
|
(calc=0.126817758264412E+02 read=0.126817758264412E+02)
|
|
Weight for this step=0.31951E-01 -.61598E+00
|
|
beta (00000499)=0.126817758264412E+02
|
|
gamma(00000499)=0.126817758264412E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 499
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000499)=0.000000000000000E+00
|
|
(calc=0.134573929259691E+02 read=0.134573929259691E+02)
|
|
Weight for this step=-.15115E-02 0.28301E-01
|
|
beta (00000500)=0.134573929259691E+02
|
|
gamma(00000500)=0.134573929259691E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 500
|
|
z1= 1 0.105280175071152E-02 0.000000000000000E+00
|
|
z1= 2 -.502613189380663E-05 0.000000000000000E+00
|
|
z1= 3 0.231648395184443E-05 0.000000000000000E+00
|
|
alpha(00000500)=0.000000000000000E+00
|
|
(calc=0.127047233585133E+02 read=0.127047233585133E+02)
|
|
Weight for this step=-.30185E-01 0.58185E+00
|
|
beta (00000501)=0.127047233585133E+02
|
|
gamma(00000501)=0.127047233585133E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Writing Cube file for response charge density
|
|
|
|
Writing Cube file for response charge density
|
|
|
|
|
|
Reading Pre-calculated lanczos coefficents from ./out/ch4-pr.beta_gamma_z.2
|
|
500 steps succesfully read for polarization index 2
|
|
|
|
Calculating response coefficients
|
|
Resonance frequency mode enabled
|
|
Charge Response renormalization factor: 0.25096E+05 0.00000E+00
|
|
Norm of initial Lanczos vectors= 1.841650183260616
|
|
|
|
Starting Lanczos loop 2
|
|
|
|
Lanczos iteration: 1
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000001)=0.000000000000000E+00
|
|
(calc=0.171988457792556E+01 read=0.171988457792556E+01)
|
|
Weight for this step=-.75468E+00 -.25096E+02
|
|
beta (00000002)=0.171988457792556E+01
|
|
gamma(00000002)=0.171988457792556E+01
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 2
|
|
z1= 1 0.317095503346229E-06 0.000000000000000E+00
|
|
z1= 2 0.124520367488399E+01 0.000000000000000E+00
|
|
z1= 3 -.221874587920010E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000002)=0.000000000000000E+00
|
|
(calc=0.476672365619246E+01 read=0.476672365619246E+01)
|
|
Weight for this step=-.85408E+00 -.95522E+01
|
|
beta (00000003)=0.476672365619246E+01
|
|
gamma(00000003)=0.476672365619246E+01
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 3
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000003)=0.000000000000000E+00
|
|
(calc=0.135455715795192E+02 read=0.135455715795192E+02)
|
|
Weight for this step=0.15701E+00 0.77430E+01
|
|
beta (00000004)=0.135455715795192E+02
|
|
gamma(00000004)=0.135455715795192E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 4
|
|
z1= 1 -.709927313784567E-07 0.000000000000000E+00
|
|
z1= 2 -.355940452122788E+00 0.000000000000000E+00
|
|
z1= 3 0.772586761541846E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000004)=0.000000000000000E+00
|
|
(calc=0.127184765807348E+02 read=0.127184765807348E+02)
|
|
Weight for this step=0.30757E+00 0.37356E+01
|
|
beta (00000005)=0.127184765807348E+02
|
|
gamma(00000005)=0.127184765807348E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 5
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000005)=0.000000000000000E+00
|
|
(calc=0.134778691157450E+02 read=0.134778691157450E+02)
|
|
Weight for this step=-.15169E+00 -.80542E+01
|
|
beta (00000006)=0.134778691157450E+02
|
|
gamma(00000006)=0.134778691157450E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 6
|
|
z1= 1 0.730053106531327E-07 0.000000000000000E+00
|
|
z1= 2 0.303457115913058E+00 0.000000000000000E+00
|
|
z1= 3 -.747578290290408E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000006)=0.000000000000000E+00
|
|
(calc=0.128879296181110E+02 read=0.128879296181110E+02)
|
|
Weight for this step=-.29701E+00 -.39163E+01
|
|
beta (00000007)=0.128879296181110E+02
|
|
gamma(00000007)=0.128879296181110E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 7
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000007)=0.000000000000000E+00
|
|
(calc=0.133738547890015E+02 read=0.133738547890015E+02)
|
|
Weight for this step=0.14385E+00 0.82239E+01
|
|
beta (00000008)=0.133738547890015E+02
|
|
gamma(00000008)=0.133738547890015E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 8
|
|
z1= 1 -.816119514679891E-07 0.000000000000000E+00
|
|
z1= 2 -.273899857136488E+00 0.000000000000000E+00
|
|
z1= 3 0.768114964150616E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000008)=0.000000000000000E+00
|
|
(calc=0.128588178651202E+02 read=0.128588178651202E+02)
|
|
Weight for this step=0.29264E+00 0.41766E+01
|
|
beta (00000009)=0.128588178651202E+02
|
|
gamma(00000009)=0.128588178651202E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 9
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000009)=0.000000000000000E+00
|
|
(calc=0.134143960269598E+02 read=0.134143960269598E+02)
|
|
Weight for this step=-.13504E+00 -.83407E+01
|
|
beta (00000010)=0.134143960269598E+02
|
|
gamma(00000010)=0.134143960269598E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 10
|
|
z1= 1 0.754291104654650E-07 0.000000000000000E+00
|
|
z1= 2 0.250161989698730E+00 0.000000000000000E+00
|
|
z1= 3 -.825824189482131E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000010)=0.000000000000000E+00
|
|
(calc=0.128242644456355E+02 read=0.128242644456355E+02)
|
|
Weight for this step=-.28649E+00 -.44106E+01
|
|
beta (00000011)=0.128242644456355E+02
|
|
gamma(00000011)=0.128242644456355E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 11
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000011)=0.000000000000000E+00
|
|
(calc=0.134762956212125E+02 read=0.134762956212125E+02)
|
|
Weight for this step=0.12697E+00 0.84994E+01
|
|
beta (00000012)=0.134762956212125E+02
|
|
gamma(00000012)=0.134762956212125E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 12
|
|
z1= 1 -.686604815123507E-07 0.000000000000000E+00
|
|
z1= 2 -.228558184186962E+00 0.000000000000000E+00
|
|
z1= 3 0.921210706231678E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000012)=0.000000000000000E+00
|
|
(calc=0.128064548987133E+02 read=0.128064548987133E+02)
|
|
Weight for this step=0.27817E+00 0.46101E+01
|
|
beta (00000013)=0.128064548987133E+02
|
|
gamma(00000013)=0.128064548987133E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 13
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000013)=0.000000000000000E+00
|
|
(calc=0.134982181135660E+02 read=0.134982181135660E+02)
|
|
Weight for this step=-.11975E+00 -.87083E+01
|
|
beta (00000014)=0.134982181135660E+02
|
|
gamma(00000014)=0.134982181135660E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 14
|
|
z1= 1 0.779321323624189E-07 0.000000000000000E+00
|
|
z1= 2 0.209175570057953E+00 0.000000000000000E+00
|
|
z1= 3 -.102980197003481E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000014)=0.000000000000000E+00
|
|
(calc=0.128005733131694E+02 read=0.128005733131694E+02)
|
|
Weight for this step=-.26907E+00 -.47961E+01
|
|
beta (00000015)=0.128005733131694E+02
|
|
gamma(00000015)=0.128005733131694E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 15
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000015)=0.000000000000000E+00
|
|
(calc=0.134714898429709E+02 read=0.134714898429709E+02)
|
|
Weight for this step=0.11289E+00 0.89376E+01
|
|
beta (00000016)=0.134714898429709E+02
|
|
gamma(00000016)=0.134714898429709E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 16
|
|
z1= 1 -.953430739662406E-07 0.000000000000000E+00
|
|
z1= 2 -.192296924630644E+00 0.000000000000000E+00
|
|
z1= 3 0.109468522866031E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000016)=0.000000000000000E+00
|
|
(calc=0.127887191118959E+02 read=0.127887191118959E+02)
|
|
Weight for this step=0.26049E+00 0.49916E+01
|
|
beta (00000017)=0.127887191118959E+02
|
|
gamma(00000017)=0.127887191118959E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 17
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000017)=0.000000000000000E+00
|
|
(calc=0.134266168773043E+02 read=0.134266168773043E+02)
|
|
Weight for this step=-.10598E+00 -.91592E+01
|
|
beta (00000018)=0.134266168773043E+02
|
|
gamma(00000018)=0.134266168773043E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 18
|
|
z1= 1 0.113936581758699E-06 0.000000000000000E+00
|
|
z1= 2 0.177688396510926E+00 0.000000000000000E+00
|
|
z1= 3 -.113342019171010E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000018)=0.000000000000000E+00
|
|
(calc=0.127825610047418E+02 read=0.127825610047418E+02)
|
|
Weight for this step=-.25260E+00 -.52010E+01
|
|
beta (00000019)=0.127825610047418E+02
|
|
gamma(00000019)=0.127825610047418E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 19
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000019)=0.000000000000000E+00
|
|
(calc=0.134080222365160E+02 read=0.134080222365160E+02)
|
|
Weight for this step=0.98789E-01 0.93543E+01
|
|
beta (00000020)=0.134080222365160E+02
|
|
gamma(00000020)=0.134080222365160E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 20
|
|
z1= 1 -.146728120586741E-06 0.000000000000000E+00
|
|
z1= 2 -.164706537066261E+00 0.000000000000000E+00
|
|
z1= 3 0.117792325749817E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000020)=0.000000000000000E+00
|
|
(calc=0.128007392673731E+02 read=0.128007392673731E+02)
|
|
Weight for this step=0.24494E+00 0.54151E+01
|
|
beta (00000021)=0.128007392673731E+02
|
|
gamma(00000021)=0.128007392673731E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 21
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000021)=0.000000000000000E+00
|
|
(calc=0.134207233641693E+02 read=0.134207233641693E+02)
|
|
Weight for this step=-.91373E-01 -.95212E+01
|
|
beta (00000022)=0.134207233641693E+02
|
|
gamma(00000022)=0.134207233641693E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 22
|
|
z1= 1 0.167024380028080E-06 0.000000000000000E+00
|
|
z1= 2 0.153072861491443E+00 0.000000000000000E+00
|
|
z1= 3 -.121038059610338E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000022)=0.000000000000000E+00
|
|
(calc=0.128225837684974E+02 read=0.128225837684974E+02)
|
|
Weight for this step=-.23738E+00 -.56293E+01
|
|
beta (00000023)=0.128225837684974E+02
|
|
gamma(00000023)=0.128225837684974E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 23
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000023)=0.000000000000000E+00
|
|
(calc=0.134332957763461E+02 read=0.134332957763461E+02)
|
|
Weight for this step=0.83956E-01 0.96779E+01
|
|
beta (00000024)=0.134332957763461E+02
|
|
gamma(00000024)=0.134332957763461E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 24
|
|
z1= 1 -.176792557782159E-06 0.000000000000000E+00
|
|
z1= 2 -.142653728557131E+00 0.000000000000000E+00
|
|
z1= 3 0.123689271855853E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000024)=0.000000000000000E+00
|
|
(calc=0.128311431778952E+02 read=0.128311431778952E+02)
|
|
Weight for this step=0.22996E+00 0.58450E+01
|
|
beta (00000025)=0.128311431778952E+02
|
|
gamma(00000025)=0.128311431778952E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 25
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000025)=0.000000000000000E+00
|
|
(calc=0.134383831688750E+02 read=0.134383831688750E+02)
|
|
Weight for this step=-.76620E-01 -.98339E+01
|
|
beta (00000026)=0.134383831688750E+02
|
|
gamma(00000026)=0.134383831688750E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 26
|
|
z1= 1 0.183967533524607E-06 0.000000000000000E+00
|
|
z1= 2 0.133198658750813E+00 0.000000000000000E+00
|
|
z1= 3 -.128095103200937E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000026)=0.000000000000000E+00
|
|
(calc=0.128182273059286E+02 read=0.128182273059286E+02)
|
|
Weight for this step=-.22256E+00 -.60599E+01
|
|
beta (00000027)=0.128182273059286E+02
|
|
gamma(00000027)=0.128182273059286E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 27
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000027)=0.000000000000000E+00
|
|
(calc=0.134102233713986E+02 read=0.134102233713986E+02)
|
|
Weight for this step=0.69434E-01 0.10000E+02
|
|
beta (00000028)=0.134102233713986E+02
|
|
gamma(00000028)=0.134102233713986E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 28
|
|
z1= 1 -.178608112573302E-06 0.000000000000000E+00
|
|
z1= 2 -.124698214154016E+00 0.000000000000000E+00
|
|
z1= 3 0.133910004981484E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000028)=0.000000000000000E+00
|
|
(calc=0.127846793859208E+02 read=0.127846793859208E+02)
|
|
Weight for this step=0.21538E+00 0.62806E+01
|
|
beta (00000029)=0.127846793859208E+02
|
|
gamma(00000029)=0.127846793859208E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 29
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000029)=0.000000000000000E+00
|
|
(calc=0.134134203203856E+02 read=0.134134203203856E+02)
|
|
Weight for this step=-.62294E-01 -.10168E+02
|
|
beta (00000030)=0.134134203203856E+02
|
|
gamma(00000030)=0.134134203203856E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 30
|
|
z1= 1 0.165186359050475E-06 0.000000000000000E+00
|
|
z1= 2 0.116544925857030E+00 0.000000000000000E+00
|
|
z1= 3 -.138991716440136E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000030)=0.000000000000000E+00
|
|
(calc=0.128191541701642E+02 read=0.128191541701642E+02)
|
|
Weight for this step=-.20757E+00 -.64824E+01
|
|
beta (00000031)=0.128191541701642E+02
|
|
gamma(00000031)=0.128191541701642E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 31
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000031)=0.000000000000000E+00
|
|
(calc=0.134294004776947E+02 read=0.134294004776947E+02)
|
|
Weight for this step=0.55088E-01 0.10308E+02
|
|
beta (00000032)=0.134294004776947E+02
|
|
gamma(00000032)=0.134294004776947E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 32
|
|
z1= 1 -.148979236850623E-06 0.000000000000000E+00
|
|
z1= 2 -.109214402246848E+00 0.000000000000000E+00
|
|
z1= 3 0.141910011273473E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000032)=0.000000000000000E+00
|
|
(calc=0.127671189493068E+02 read=0.127671189493068E+02)
|
|
Weight for this step=0.20005E+00 0.66903E+01
|
|
beta (00000033)=0.127671189493068E+02
|
|
gamma(00000033)=0.127671189493068E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 33
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000033)=0.000000000000000E+00
|
|
(calc=0.133586625210841E+02 read=0.133586625210841E+02)
|
|
Weight for this step=-.48213E-01 -.10500E+02
|
|
beta (00000034)=0.133586625210841E+02
|
|
gamma(00000034)=0.133586625210841E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 34
|
|
z1= 1 0.126877541625769E-06 0.000000000000000E+00
|
|
z1= 2 0.102543667188429E+00 0.000000000000000E+00
|
|
z1= 3 -.142386086634128E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000034)=0.000000000000000E+00
|
|
(calc=0.127703273146371E+02 read=0.127703273146371E+02)
|
|
Weight for this step=-.19277E+00 -.69085E+01
|
|
beta (00000035)=0.127703273146371E+02
|
|
gamma(00000035)=0.127703273146371E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 35
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000035)=0.000000000000000E+00
|
|
(calc=0.134311109909508E+02 read=0.134311109909508E+02)
|
|
Weight for this step=0.41094E-01 0.10629E+02
|
|
beta (00000036)=0.134311109909508E+02
|
|
gamma(00000036)=0.134311109909508E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 36
|
|
z1= 1 -.104744958693594E-06 0.000000000000000E+00
|
|
z1= 2 -.958468358224083E-01 0.000000000000000E+00
|
|
z1= 3 0.143211536812694E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000036)=0.000000000000000E+00
|
|
(calc=0.128060596798497E+02 read=0.128060596798497E+02)
|
|
Weight for this step=0.18450E+00 0.70867E+01
|
|
beta (00000037)=0.128060596798497E+02
|
|
gamma(00000037)=0.128060596798497E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 37
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000037)=0.000000000000000E+00
|
|
(calc=0.133888964664024E+02 read=0.133888964664024E+02)
|
|
Weight for this step=-.34222E-01 -.10786E+02
|
|
beta (00000038)=0.133888964664024E+02
|
|
gamma(00000038)=0.133888964664024E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 38
|
|
z1= 1 0.873091918710683E-07 0.000000000000000E+00
|
|
z1= 2 0.901624865375250E-01 0.000000000000000E+00
|
|
z1= 3 -.145885828891506E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000038)=0.000000000000000E+00
|
|
(calc=0.127549640507501E+02 read=0.127549640507501E+02)
|
|
Weight for this step=-.17734E+00 -.73056E+01
|
|
beta (00000039)=0.127549640507501E+02
|
|
gamma(00000039)=0.127549640507501E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 39
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000039)=0.000000000000000E+00
|
|
(calc=0.133497034707313E+02 read=0.133497034707313E+02)
|
|
Weight for this step=0.27394E-01 0.10947E+02
|
|
beta (00000040)=0.133497034707313E+02
|
|
gamma(00000040)=0.133497034707313E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 40
|
|
z1= 1 -.698951829591204E-07 0.000000000000000E+00
|
|
z1= 2 -.847499566110708E-01 0.000000000000000E+00
|
|
z1= 3 0.147333903384960E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000040)=0.000000000000000E+00
|
|
(calc=0.126995473557610E+02 read=0.126995473557610E+02)
|
|
Weight for this step=0.16996E+00 0.75169E+01
|
|
beta (00000041)=0.126995473557610E+02
|
|
gamma(00000041)=0.126995473557610E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 41
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000041)=0.000000000000000E+00
|
|
(calc=0.133246755218828E+02 read=0.133246755218828E+02)
|
|
Weight for this step=-.20628E-01 -.11120E+02
|
|
beta (00000042)=0.133246755218828E+02
|
|
gamma(00000042)=0.133246755218828E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 42
|
|
z1= 1 0.498886619888436E-07 0.000000000000000E+00
|
|
z1= 2 0.794594828241172E-01 0.000000000000000E+00
|
|
z1= 3 -.147649236684200E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000042)=0.000000000000000E+00
|
|
(calc=0.127528433245273E+02 read=0.127528433245273E+02)
|
|
Weight for this step=-.16216E+00 -.77105E+01
|
|
beta (00000043)=0.127528433245273E+02
|
|
gamma(00000043)=0.127528433245273E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 43
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000043)=0.000000000000000E+00
|
|
(calc=0.133691964249925E+02 read=0.133691964249925E+02)
|
|
Weight for this step=0.13834E-01 0.11223E+02
|
|
beta (00000044)=0.133691964249925E+02
|
|
gamma(00000044)=0.133691964249925E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 44
|
|
z1= 1 -.292861221853208E-07 0.000000000000000E+00
|
|
z1= 2 -.746051735512792E-01 0.000000000000000E+00
|
|
z1= 3 0.148749159504320E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000044)=0.000000000000000E+00
|
|
(calc=0.127653057078416E+02 read=0.127653057078416E+02)
|
|
Weight for this step=0.15453E+00 0.79046E+01
|
|
beta (00000045)=0.127653057078416E+02
|
|
gamma(00000045)=0.127653057078416E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 45
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000045)=0.000000000000000E+00
|
|
(calc=0.134072282335253E+02 read=0.134072282335253E+02)
|
|
Weight for this step=-.71834E-02 -.11349E+02
|
|
beta (00000046)=0.134072282335253E+02
|
|
gamma(00000046)=0.134072282335253E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 46
|
|
z1= 1 0.171701336100505E-07 0.000000000000000E+00
|
|
z1= 2 0.699090961293279E-01 0.000000000000000E+00
|
|
z1= 3 -.148317952237357E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000046)=0.000000000000000E+00
|
|
(calc=0.127671148415383E+02 read=0.127671148415383E+02)
|
|
Weight for this step=-.14663E+00 -.80802E+01
|
|
beta (00000047)=0.127671148415383E+02
|
|
gamma(00000047)=0.127671148415383E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 47
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000047)=0.000000000000000E+00
|
|
(calc=0.133557565416867E+02 read=0.133557565416867E+02)
|
|
Weight for this step=0.65833E-03 0.11503E+02
|
|
beta (00000048)=0.133557565416867E+02
|
|
gamma(00000048)=0.133557565416867E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 48
|
|
z1= 1 -.169327510255411E-07 0.000000000000000E+00
|
|
z1= 2 -.657699116567064E-01 0.000000000000000E+00
|
|
z1= 3 0.147122826496104E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000048)=0.000000000000000E+00
|
|
(calc=0.128436227860017E+02 read=0.128436227860017E+02)
|
|
Weight for this step=0.13934E+00 0.82879E+01
|
|
beta (00000049)=0.128436227860017E+02
|
|
gamma(00000049)=0.128436227860017E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 49
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000049)=0.000000000000000E+00
|
|
(calc=0.134358300740148E+02 read=0.134358300740148E+02)
|
|
Weight for this step=0.57719E-02 -.11540E+02
|
|
beta (00000050)=0.134358300740148E+02
|
|
gamma(00000050)=0.134358300740148E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 50
|
|
z1= 1 0.248542599695645E-07 0.000000000000000E+00
|
|
z1= 2 0.619291916488800E-01 0.000000000000000E+00
|
|
z1= 3 -.145165333555750E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000050)=0.000000000000000E+00
|
|
(calc=0.126967571136032E+02 read=0.126967571136032E+02)
|
|
Weight for this step=-.13206E+00 -.84848E+01
|
|
beta (00000051)=0.126967571136032E+02
|
|
gamma(00000051)=0.126967571136032E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 51
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000051)=0.000000000000000E+00
|
|
(calc=0.132891106491037E+02 read=0.132891106491037E+02)
|
|
Weight for this step=-.12248E-01 0.11774E+02
|
|
beta (00000052)=0.132891106491037E+02
|
|
gamma(00000052)=0.132891106491037E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 52
|
|
z1= 1 -.378481225847896E-07 0.000000000000000E+00
|
|
z1= 2 -.582335685689649E-01 0.000000000000000E+00
|
|
z1= 3 0.143065189191736E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000052)=0.000000000000000E+00
|
|
(calc=0.127443368135094E+02 read=0.127443368135094E+02)
|
|
Weight for this step=0.12468E+00 0.86865E+01
|
|
beta (00000053)=0.127443368135094E+02
|
|
gamma(00000053)=0.127443368135094E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 53
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000053)=0.000000000000000E+00
|
|
(calc=0.133131464859936E+02 read=0.133131464859936E+02)
|
|
Weight for this step=0.18494E-01 -.11831E+02
|
|
beta (00000054)=0.133131464859936E+02
|
|
gamma(00000054)=0.133131464859936E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 54
|
|
z1= 1 0.461469937388694E-07 0.000000000000000E+00
|
|
z1= 2 0.549113560100973E-01 0.000000000000000E+00
|
|
z1= 3 -.141730531457904E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000054)=0.000000000000000E+00
|
|
(calc=0.127443548004699E+02 read=0.127443548004699E+02)
|
|
Weight for this step=-.11756E+00 -.88971E+01
|
|
beta (00000055)=0.127443548004699E+02
|
|
gamma(00000055)=0.127443548004699E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 55
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000055)=0.000000000000000E+00
|
|
(calc=0.133785371460162E+02 read=0.133785371460162E+02)
|
|
Weight for this step=-.24660E-01 0.11902E+02
|
|
beta (00000056)=0.133785371460162E+02
|
|
gamma(00000056)=0.133785371460162E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 56
|
|
z1= 1 -.679880394933996E-07 0.000000000000000E+00
|
|
z1= 2 -.515461109741360E-01 0.000000000000000E+00
|
|
z1= 3 0.140524007826489E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000056)=0.000000000000000E+00
|
|
(calc=0.128320518144718E+02 read=0.128320518144718E+02)
|
|
Weight for this step=0.10989E+00 0.90577E+01
|
|
beta (00000057)=0.128320518144718E+02
|
|
gamma(00000057)=0.128320518144718E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 57
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000057)=0.000000000000000E+00
|
|
(calc=0.134459852093295E+02 read=0.134459852093295E+02)
|
|
Weight for this step=0.30610E-01 -.11947E+02
|
|
beta (00000058)=0.134459852093295E+02
|
|
gamma(00000058)=0.134459852093295E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 58
|
|
z1= 1 0.919901273644524E-07 0.000000000000000E+00
|
|
z1= 2 0.484731575399201E-01 0.000000000000000E+00
|
|
z1= 3 -.139602262563842E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000058)=0.000000000000000E+00
|
|
(calc=0.127464079340228E+02 read=0.127464079340228E+02)
|
|
Weight for this step=-.10249E+00 -.92258E+01
|
|
beta (00000059)=0.127464079340228E+02
|
|
gamma(00000059)=0.127464079340228E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 59
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000059)=0.000000000000000E+00
|
|
(calc=0.133328229368031E+02 read=0.133328229368031E+02)
|
|
Weight for this step=-.36829E-01 0.12129E+02
|
|
beta (00000060)=0.133328229368031E+02
|
|
gamma(00000060)=0.133328229368031E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 60
|
|
z1= 1 -.109058690841990E-06 0.000000000000000E+00
|
|
z1= 2 -.457060886903577E-01 0.000000000000000E+00
|
|
z1= 3 0.138723136445000E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000060)=0.000000000000000E+00
|
|
(calc=0.128405797712576E+02 read=0.128405797712576E+02)
|
|
Weight for this step=0.95267E-01 0.94155E+01
|
|
beta (00000061)=0.128405797712576E+02
|
|
gamma(00000061)=0.128405797712576E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 61
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000061)=0.000000000000000E+00
|
|
(calc=0.133760307587134E+02 read=0.133760307587134E+02)
|
|
Weight for this step=0.42365E-01 -.12114E+02
|
|
beta (00000062)=0.133760307587134E+02
|
|
gamma(00000062)=0.133760307587134E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 62
|
|
z1= 1 0.119607928896273E-06 0.000000000000000E+00
|
|
z1= 2 0.432737522187715E-01 0.000000000000000E+00
|
|
z1= 3 -.138486525455930E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000062)=0.000000000000000E+00
|
|
(calc=0.128441833817929E+02 read=0.128441833817929E+02)
|
|
Weight for this step=-.88474E-01 -.96314E+01
|
|
beta (00000063)=0.128441833817929E+02
|
|
gamma(00000063)=0.128441833817929E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 63
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000063)=0.000000000000000E+00
|
|
(calc=0.134459511560684E+02 read=0.134459511560684E+02)
|
|
Weight for this step=-.47878E-01 0.12124E+02
|
|
beta (00000064)=0.134459511560684E+02
|
|
gamma(00000064)=0.134459511560684E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 64
|
|
z1= 1 -.131302126016048E-06 0.000000000000000E+00
|
|
z1= 2 -.408085549129928E-01 0.000000000000000E+00
|
|
z1= 3 0.137677668728294E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000064)=0.000000000000000E+00
|
|
(calc=0.128237682408645E+02 read=0.128237682408645E+02)
|
|
Weight for this step=0.81282E-01 0.97906E+01
|
|
beta (00000065)=0.128237682408645E+02
|
|
gamma(00000065)=0.128237682408645E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 65
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000065)=0.000000000000000E+00
|
|
(calc=0.134804252917022E+02 read=0.134804252917022E+02)
|
|
Weight for this step=0.53587E-01 -.12213E+02
|
|
beta (00000066)=0.134804252917022E+02
|
|
gamma(00000066)=0.134804252917022E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 66
|
|
z1= 1 0.149661052043903E-06 0.000000000000000E+00
|
|
z1= 2 0.383600758947138E-01 0.000000000000000E+00
|
|
z1= 3 -.136590048857848E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000066)=0.000000000000000E+00
|
|
(calc=0.128621052138649E+02 read=0.128621052138649E+02)
|
|
Weight for this step=-.73814E-01 -.99067E+01
|
|
beta (00000067)=0.128621052138649E+02
|
|
gamma(00000067)=0.128621052138649E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 67
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000067)=0.000000000000000E+00
|
|
(calc=0.133881810374547E+02 read=0.133881810374547E+02)
|
|
Weight for this step=-.59149E-01 0.12296E+02
|
|
beta (00000068)=0.133881810374547E+02
|
|
gamma(00000068)=0.133881810374547E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 68
|
|
z1= 1 -.163525421744814E-06 0.000000000000000E+00
|
|
z1= 2 -.364112629135434E-01 0.000000000000000E+00
|
|
z1= 3 0.136798831157706E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000068)=0.000000000000000E+00
|
|
(calc=0.128152881081528E+02 read=0.128152881081528E+02)
|
|
Weight for this step=0.67104E-01 0.10119E+02
|
|
beta (00000069)=0.128152881081528E+02
|
|
gamma(00000069)=0.128152881081528E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 69
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000069)=0.000000000000000E+00
|
|
(calc=0.133445162234548E+02 read=0.133445162234548E+02)
|
|
Weight for this step=0.64431E-01 -.12328E+02
|
|
beta (00000070)=0.133445162234548E+02
|
|
gamma(00000070)=0.133445162234548E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 70
|
|
z1= 1 0.173594029687215E-06 0.000000000000000E+00
|
|
z1= 2 0.345810617992865E-01 0.000000000000000E+00
|
|
z1= 3 -.137036961219599E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000070)=0.000000000000000E+00
|
|
(calc=0.128069654390537E+02 read=0.128069654390537E+02)
|
|
Weight for this step=-.60358E-01 -.10322E+02
|
|
beta (00000071)=0.128069654390537E+02
|
|
gamma(00000071)=0.128069654390537E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 71
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000071)=0.000000000000000E+00
|
|
(calc=0.134042175660074E+02 read=0.134042175660074E+02)
|
|
Weight for this step=-.69415E-01 0.12318E+02
|
|
beta (00000072)=0.134042175660074E+02
|
|
gamma(00000072)=0.134042175660074E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 72
|
|
z1= 1 -.178560118785538E-06 0.000000000000000E+00
|
|
z1= 2 -.326967507624420E-01 0.000000000000000E+00
|
|
z1= 3 0.137764026259337E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000072)=0.000000000000000E+00
|
|
(calc=0.128627103435083E+02 read=0.128627103435083E+02)
|
|
Weight for this step=0.53360E-01 0.10464E+02
|
|
beta (00000073)=0.128627103435083E+02
|
|
gamma(00000073)=0.128627103435083E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 73
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000073)=0.000000000000000E+00
|
|
(calc=0.133230421565322E+02 read=0.133230421565322E+02)
|
|
Weight for this step=0.74239E-01 -.12304E+02
|
|
beta (00000074)=0.133230421565322E+02
|
|
gamma(00000074)=0.133230421565322E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 74
|
|
z1= 1 0.184907377091294E-06 0.000000000000000E+00
|
|
z1= 2 0.313036663230153E-01 0.000000000000000E+00
|
|
z1= 3 -.139086514727791E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000074)=0.000000000000000E+00
|
|
(calc=0.127141926236090E+02 read=0.127141926236090E+02)
|
|
Weight for this step=-.46945E-01 -.10707E+02
|
|
beta (00000075)=0.127141926236090E+02
|
|
gamma(00000075)=0.127141926236090E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 75
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000075)=0.000000000000000E+00
|
|
(calc=0.133868799514664E+02 read=0.133868799514664E+02)
|
|
Weight for this step=-.79369E-01 0.12342E+02
|
|
beta (00000076)=0.133868799514664E+02
|
|
gamma(00000076)=0.133868799514664E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 76
|
|
z1= 1 -.193991818937204E-06 0.000000000000000E+00
|
|
z1= 2 -.294637377373356E-01 0.000000000000000E+00
|
|
z1= 3 0.138195377978655E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000076)=0.000000000000000E+00
|
|
(calc=0.127641760166157E+02 read=0.127641760166157E+02)
|
|
Weight for this step=0.39783E-01 0.10772E+02
|
|
beta (00000077)=0.127641760166157E+02
|
|
gamma(00000077)=0.127641760166157E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 77
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000077)=0.000000000000000E+00
|
|
(calc=0.133755111186527E+02 read=0.133755111186527E+02)
|
|
Weight for this step=0.84438E-01 -.12392E+02
|
|
beta (00000078)=0.133755111186527E+02
|
|
gamma(00000078)=0.133755111186527E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 78
|
|
z1= 1 0.212422084499599E-06 0.000000000000000E+00
|
|
z1= 2 0.278746852743967E-01 0.000000000000000E+00
|
|
z1= 3 -.138139065226158E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000078)=0.000000000000000E+00
|
|
(calc=0.128262846599938E+02 read=0.128262846599938E+02)
|
|
Weight for this step=-.32906E-01 -.10886E+02
|
|
beta (00000079)=0.128262846599938E+02
|
|
gamma(00000079)=0.128262846599938E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 79
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000079)=0.000000000000000E+00
|
|
(calc=0.133316309140939E+02 read=0.133316309140939E+02)
|
|
Weight for this step=-.88884E-01 0.12367E+02
|
|
beta (00000080)=0.133316309140939E+02
|
|
gamma(00000080)=0.133316309140939E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 80
|
|
z1= 1 -.238116441914765E-06 0.000000000000000E+00
|
|
z1= 2 -.266560706334089E-01 0.000000000000000E+00
|
|
z1= 3 0.138883427769733E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000080)=0.000000000000000E+00
|
|
(calc=0.127857315191969E+02 read=0.127857315191969E+02)
|
|
Weight for this step=0.26366E-01 0.11081E+02
|
|
beta (00000081)=0.127857315191969E+02
|
|
gamma(00000081)=0.127857315191969E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 81
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000081)=0.000000000000000E+00
|
|
(calc=0.133994485616234E+02 read=0.133994485616234E+02)
|
|
Weight for this step=0.93162E-01 -.12328E+02
|
|
beta (00000082)=0.133994485616234E+02
|
|
gamma(00000082)=0.133994485616234E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 82
|
|
z1= 1 0.261379095076175E-06 0.000000000000000E+00
|
|
z1= 2 0.253065704606500E-01 0.000000000000000E+00
|
|
z1= 3 -.138007917961614E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000082)=0.000000000000000E+00
|
|
(calc=0.128396988936722E+02 read=0.128396988936722E+02)
|
|
Weight for this step=-.19687E-01 -.11176E+02
|
|
beta (00000083)=0.128396988936722E+02
|
|
gamma(00000083)=0.128396988936722E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 83
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000083)=0.000000000000000E+00
|
|
(calc=0.133717655748668E+02 read=0.133717655748668E+02)
|
|
Weight for this step=-.97357E-01 0.12295E+02
|
|
beta (00000084)=0.133717655748668E+02
|
|
gamma(00000084)=0.133717655748668E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 84
|
|
z1= 1 -.299694735311426E-06 0.000000000000000E+00
|
|
z1= 2 -.241731604964774E-01 0.000000000000000E+00
|
|
z1= 3 0.139771944255543E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000084)=0.000000000000000E+00
|
|
(calc=0.128117722162302E+02 read=0.128117722162302E+02)
|
|
Weight for this step=0.13219E-01 0.11333E+02
|
|
beta (00000085)=0.128117722162302E+02
|
|
gamma(00000085)=0.128117722162302E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 85
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000085)=0.000000000000000E+00
|
|
(calc=0.133218183651525E+02 read=0.133218183651525E+02)
|
|
Weight for this step=0.10140E+00 -.12254E+02
|
|
beta (00000086)=0.133218183651525E+02
|
|
gamma(00000086)=0.133218183651525E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 86
|
|
z1= 1 0.339226551236346E-06 0.000000000000000E+00
|
|
z1= 2 0.231491536005950E-01 0.000000000000000E+00
|
|
z1= 3 -.140894538631421E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000086)=0.000000000000000E+00
|
|
(calc=0.127545874553951E+02 read=0.127545874553951E+02)
|
|
Weight for this step=-.68100E-02 -.11501E+02
|
|
beta (00000087)=0.127545874553951E+02
|
|
gamma(00000087)=0.127545874553951E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 87
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000087)=0.000000000000000E+00
|
|
(calc=0.133435620186961E+02 read=0.133435620186961E+02)
|
|
Weight for this step=-.10536E+00 0.12209E+02
|
|
beta (00000088)=0.133435620186961E+02
|
|
gamma(00000088)=0.133435620186961E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 88
|
|
z1= 1 -.372445508644952E-06 0.000000000000000E+00
|
|
z1= 2 -.220543469972217E-01 0.000000000000000E+00
|
|
z1= 3 0.142933213310742E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000088)=0.000000000000000E+00
|
|
(calc=0.128929975471714E+02 read=0.128929975471714E+02)
|
|
Weight for this step=0.42576E-03 0.11592E+02
|
|
beta (00000089)=0.128929975471714E+02
|
|
gamma(00000089)=0.128929975471714E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 89
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000089)=0.000000000000000E+00
|
|
(calc=0.133924346230501E+02 read=0.133924346230501E+02)
|
|
Weight for this step=0.10817E+00 -.12047E+02
|
|
beta (00000090)=0.133924346230501E+02
|
|
gamma(00000090)=0.133924346230501E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 90
|
|
z1= 1 0.407696640183919E-06 0.000000000000000E+00
|
|
z1= 2 0.211833571167313E-01 0.000000000000000E+00
|
|
z1= 3 -.145124077793012E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000090)=0.000000000000000E+00
|
|
(calc=0.126659757914214E+02 read=0.126659757914214E+02)
|
|
Weight for this step=0.57766E-02 -.11749E+02
|
|
beta (00000091)=0.126659757914214E+02
|
|
gamma(00000091)=0.126659757914214E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 91
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000091)=0.000000000000000E+00
|
|
(calc=0.133458518882292E+02 read=0.133458518882292E+02)
|
|
Weight for this step=-.11314E+00 0.12130E+02
|
|
beta (00000092)=0.133458518882292E+02
|
|
gamma(00000092)=0.133458518882292E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 92
|
|
z1= 1 -.422207161879587E-06 0.000000000000000E+00
|
|
z1= 2 -.200864253774463E-01 0.000000000000000E+00
|
|
z1= 3 0.143193876756646E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000092)=0.000000000000000E+00
|
|
(calc=0.127909393086097E+02 read=0.127909393086097E+02)
|
|
Weight for this step=-.11941E-01 0.11745E+02
|
|
beta (00000093)=0.127909393086097E+02
|
|
gamma(00000093)=0.127909393086097E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 93
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000093)=0.000000000000000E+00
|
|
(calc=0.133461372887160E+02 read=0.133461372887160E+02)
|
|
Weight for this step=0.11652E+00 -.12056E+02
|
|
beta (00000094)=0.133461372887160E+02
|
|
gamma(00000094)=0.133461372887160E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 94
|
|
z1= 1 0.451993989596632E-06 0.000000000000000E+00
|
|
z1= 2 0.192790328978661E-01 0.000000000000000E+00
|
|
z1= 3 -.142333575930900E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000094)=0.000000000000000E+00
|
|
(calc=0.127865790361712E+02 read=0.127865790361712E+02)
|
|
Weight for this step=0.18062E-01 -.11848E+02
|
|
beta (00000095)=0.127865790361712E+02
|
|
gamma(00000095)=0.127865790361712E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 95
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000095)=0.000000000000000E+00
|
|
(calc=0.133901025233023E+02 read=0.133901025233023E+02)
|
|
Weight for this step=-.11977E+00 0.11977E+02
|
|
beta (00000096)=0.133901025233023E+02
|
|
gamma(00000096)=0.133901025233023E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 96
|
|
z1= 1 -.478290603350348E-06 0.000000000000000E+00
|
|
z1= 2 -.184170333309770E-01 0.000000000000000E+00
|
|
z1= 3 0.140676661283801E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000096)=0.000000000000000E+00
|
|
(calc=0.127921040309578E+02 read=0.127921040309578E+02)
|
|
Weight for this step=-.23998E-01 0.11899E+02
|
|
beta (00000097)=0.127921040309578E+02
|
|
gamma(00000097)=0.127921040309578E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 97
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000097)=0.000000000000000E+00
|
|
(calc=0.134509429182819E+02 read=0.134509429182819E+02)
|
|
Weight for this step=0.12321E+00 -.11928E+02
|
|
beta (00000098)=0.134509429182819E+02
|
|
gamma(00000098)=0.134509429182819E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 98
|
|
z1= 1 0.494522844262432E-06 0.000000000000000E+00
|
|
z1= 2 0.175091771023050E-01 0.000000000000000E+00
|
|
z1= 3 -.138281774661643E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000098)=0.000000000000000E+00
|
|
(calc=0.130150737030773E+02 read=0.130150737030773E+02)
|
|
Weight for this step=0.29705E-01 -.11897E+02
|
|
beta (00000099)=0.130150737030773E+02
|
|
gamma(00000099)=0.130150737030773E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 99
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000099)=0.000000000000000E+00
|
|
(calc=0.136149118803897E+02 read=0.136149118803897E+02)
|
|
Weight for this step=-.12493E+00 0.11729E+02
|
|
beta (00000100)=0.136149118803897E+02
|
|
gamma(00000100)=0.136149118803897E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 100
|
|
z1= 1 -.515944330635584E-06 0.000000000000000E+00
|
|
z1= 2 -.167547814377519E-01 0.000000000000000E+00
|
|
z1= 3 0.135140861642918E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000100)=0.000000000000000E+00
|
|
(calc=0.127969530262333E+02 read=0.127969530262333E+02)
|
|
Weight for this step=-.35265E-01 0.11937E+02
|
|
beta (00000101)=0.127969530262333E+02
|
|
gamma(00000101)=0.127969530262333E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 101
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000101)=0.000000000000000E+00
|
|
(calc=0.132882473664145E+02 read=0.132882473664145E+02)
|
|
Weight for this step=0.13018E+00 -.11868E+02
|
|
beta (00000102)=0.132882473664145E+02
|
|
gamma(00000102)=0.132882473664145E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 102
|
|
z1= 1 0.541037656784978E-06 0.000000000000000E+00
|
|
z1= 2 0.161799091177460E-01 0.000000000000000E+00
|
|
z1= 3 -.132541389902046E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000102)=0.000000000000000E+00
|
|
(calc=0.128815671989160E+02 read=0.128815671989160E+02)
|
|
Weight for this step=0.41267E-01 -.12080E+02
|
|
beta (00000103)=0.128815671989160E+02
|
|
gamma(00000103)=0.128815671989160E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 103
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000103)=0.000000000000000E+00
|
|
(calc=0.134147783842160E+02 read=0.134147783842160E+02)
|
|
Weight for this step=-.13125E+00 0.11628E+02
|
|
beta (00000104)=0.134147783842160E+02
|
|
gamma(00000104)=0.134147783842160E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 104
|
|
z1= 1 -.562748091265759E-06 0.000000000000000E+00
|
|
z1= 2 -.156274762717688E-01 0.000000000000000E+00
|
|
z1= 3 0.130035414217335E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000104)=0.000000000000000E+00
|
|
(calc=0.128778630469479E+02 read=0.128778630469479E+02)
|
|
Weight for this step=-.46898E-01 0.12167E+02
|
|
beta (00000105)=0.128778630469479E+02
|
|
gamma(00000105)=0.128778630469479E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 105
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000105)=0.000000000000000E+00
|
|
(calc=0.132659039721740E+02 read=0.132659039721740E+02)
|
|
Weight for this step=0.13340E+00 -.11495E+02
|
|
beta (00000106)=0.132659039721740E+02
|
|
gamma(00000106)=0.132659039721740E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 106
|
|
z1= 1 0.593544908862728E-06 0.000000000000000E+00
|
|
z1= 2 0.152720209886075E-01 0.000000000000000E+00
|
|
z1= 3 -.129754339370095E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000106)=0.000000000000000E+00
|
|
(calc=0.126949441298188E+02 read=0.126949441298188E+02)
|
|
Weight for this step=0.52975E-01 -.12379E+02
|
|
beta (00000107)=0.126949441298188E+02
|
|
gamma(00000107)=0.126949441298188E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 107
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000107)=0.000000000000000E+00
|
|
(calc=0.133395828396943E+02 read=0.133395828396943E+02)
|
|
Weight for this step=-.13569E+00 0.11374E+02
|
|
beta (00000108)=0.133395828396943E+02
|
|
gamma(00000108)=0.133395828396943E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 108
|
|
z1= 1 -.620124458342291E-06 0.000000000000000E+00
|
|
z1= 2 -.145900525657302E-01 0.000000000000000E+00
|
|
z1= 3 0.126921295439840E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000108)=0.000000000000000E+00
|
|
(calc=0.128482733291928E+02 read=0.128482733291928E+02)
|
|
Weight for this step=-.57926E-01 0.12339E+02
|
|
beta (00000109)=0.128482733291928E+02
|
|
gamma(00000109)=0.128482733291928E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 109
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000109)=0.000000000000000E+00
|
|
(calc=0.133217672248390E+02 read=0.133217672248390E+02)
|
|
Weight for this step=0.13697E+00 -.11180E+02
|
|
beta (00000110)=0.133217672248390E+02
|
|
gamma(00000110)=0.133217672248390E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 110
|
|
z1= 1 0.654445692239080E-06 0.000000000000000E+00
|
|
z1= 2 0.141245704249187E-01 0.000000000000000E+00
|
|
z1= 3 -.124051828349404E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000110)=0.000000000000000E+00
|
|
(calc=0.126967111362054E+02 read=0.126967111362054E+02)
|
|
Weight for this step=0.63437E-01 -.12449E+02
|
|
beta (00000111)=0.126967111362054E+02
|
|
gamma(00000111)=0.126967111362054E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 111
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000111)=0.000000000000000E+00
|
|
(calc=0.135206919879961E+02 read=0.135206919879961E+02)
|
|
Weight for this step=-.13946E+00 0.11088E+02
|
|
beta (00000112)=0.135206919879961E+02
|
|
gamma(00000112)=0.135206919879961E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 112
|
|
z1= 1 -.682143865366348E-06 0.000000000000000E+00
|
|
z1= 2 -.133228025881830E-01 0.000000000000000E+00
|
|
z1= 3 0.118177153908409E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000112)=0.000000000000000E+00
|
|
(calc=0.129787482073338E+02 read=0.129787482073338E+02)
|
|
Weight for this step=-.67142E-01 0.12227E+02
|
|
beta (00000113)=0.129787482073338E+02
|
|
gamma(00000113)=0.129787482073338E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 113
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000113)=0.000000000000000E+00
|
|
(calc=0.134371977380927E+02 read=0.134371977380927E+02)
|
|
Weight for this step=0.14095E+00 -.10935E+02
|
|
beta (00000114)=0.134371977380927E+02
|
|
gamma(00000114)=0.134371977380927E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 114
|
|
z1= 1 0.730488856749570E-06 0.000000000000000E+00
|
|
z1= 2 0.129010829180915E-01 0.000000000000000E+00
|
|
z1= 3 -.115227312497178E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000114)=0.000000000000000E+00
|
|
(calc=0.127033480997902E+02 read=0.127033480997902E+02)
|
|
Weight for this step=0.72532E-01 -.12343E+02
|
|
beta (00000115)=0.127033480997902E+02
|
|
gamma(00000115)=0.127033480997902E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 115
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000115)=0.000000000000000E+00
|
|
(calc=0.135069839916071E+02 read=0.135069839916071E+02)
|
|
Weight for this step=-.14439E+00 0.10930E+02
|
|
beta (00000116)=0.135069839916071E+02
|
|
gamma(00000116)=0.135069839916071E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 116
|
|
z1= 1 -.761276688108136E-06 0.000000000000000E+00
|
|
z1= 2 -.122154973439061E-01 0.000000000000000E+00
|
|
z1= 3 0.108452864458800E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000116)=0.000000000000000E+00
|
|
(calc=0.127083365075967E+02 read=0.127083365075967E+02)
|
|
Weight for this step=-.76023E-01 0.12138E+02
|
|
beta (00000117)=0.127083365075967E+02
|
|
gamma(00000117)=0.127083365075967E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 117
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000117)=0.000000000000000E+00
|
|
(calc=0.132506525370431E+02 read=0.132506525370431E+02)
|
|
Weight for this step=0.14859E+00 -.10992E+02
|
|
beta (00000118)=0.132506525370431E+02
|
|
gamma(00000118)=0.132506525370431E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 118
|
|
z1= 1 0.814196278609925E-06 0.000000000000000E+00
|
|
z1= 2 0.118297492061078E-01 0.000000000000000E+00
|
|
z1= 3 -.103772403622438E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000118)=0.000000000000000E+00
|
|
(calc=0.127948300566571E+02 read=0.127948300566571E+02)
|
|
Weight for this step=0.81082E-01 -.12185E+02
|
|
beta (00000119)=0.127948300566571E+02
|
|
gamma(00000119)=0.127948300566571E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 119
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000119)=0.000000000000000E+00
|
|
(calc=0.133198411447122E+02 read=0.133198411447122E+02)
|
|
Weight for this step=-.14878E+00 0.10760E+02
|
|
beta (00000120)=0.133198411447122E+02
|
|
gamma(00000120)=0.133198411447122E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 120
|
|
z1= 1 -.855745037019184E-06 0.000000000000000E+00
|
|
z1= 2 -.114615360332153E-01 0.000000000000000E+00
|
|
z1= 3 0.995054258216355E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000120)=0.000000000000000E+00
|
|
(calc=0.125251023324571E+02 read=0.125251023324571E+02)
|
|
Weight for this step=-.86005E-01 0.12233E+02
|
|
beta (00000121)=0.125251023324571E+02
|
|
gamma(00000121)=0.125251023324571E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 121
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000121)=0.000000000000000E+00
|
|
(calc=0.131931010122391E+02 read=0.131931010122391E+02)
|
|
Weight for this step=0.15275E+00 -.10804E+02
|
|
beta (00000122)=0.131931010122391E+02
|
|
gamma(00000122)=0.131931010122391E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 122
|
|
z1= 1 0.883531032879695E-06 0.000000000000000E+00
|
|
z1= 2 0.109867869934768E-01 0.000000000000000E+00
|
|
z1= 3 -.936637162692608E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000122)=0.000000000000000E+00
|
|
(calc=0.127053174545164E+02 read=0.127053174545164E+02)
|
|
Weight for this step=0.90049E-01 -.12150E+02
|
|
beta (00000123)=0.127053174545164E+02
|
|
gamma(00000123)=0.127053174545164E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 123
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000123)=0.000000000000000E+00
|
|
(calc=0.133819599718688E+02 read=0.133819599718688E+02)
|
|
Weight for this step=-.15302E+00 0.10592E+02
|
|
beta (00000124)=0.133819599718688E+02
|
|
gamma(00000124)=0.133819599718688E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 124
|
|
z1= 1 -.911042491655517E-06 0.000000000000000E+00
|
|
z1= 2 -.105063759919598E-01 0.000000000000000E+00
|
|
z1= 3 0.868062535213016E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000124)=0.000000000000000E+00
|
|
(calc=0.126842079454632E+02 read=0.126842079454632E+02)
|
|
Weight for this step=-.93772E-01 0.12053E+02
|
|
beta (00000125)=0.126842079454632E+02
|
|
gamma(00000125)=0.126842079454632E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 125
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000125)=0.000000000000000E+00
|
|
(calc=0.133805664687447E+02 read=0.133805664687447E+02)
|
|
Weight for this step=0.15565E+00 -.10553E+02
|
|
beta (00000126)=0.133805664687447E+02
|
|
gamma(00000126)=0.133805664687447E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 126
|
|
z1= 1 0.935578643005992E-06 0.000000000000000E+00
|
|
z1= 2 0.100407847093536E-01 0.000000000000000E+00
|
|
z1= 3 -.800555838431291E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000126)=0.000000000000000E+00
|
|
(calc=0.128061204619817E+02 read=0.128061204619817E+02)
|
|
Weight for this step=0.97295E-01 -.11942E+02
|
|
beta (00000127)=0.128061204619817E+02
|
|
gamma(00000127)=0.128061204619817E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 127
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000127)=0.000000000000000E+00
|
|
(calc=0.132907880569990E+02 read=0.132907880569990E+02)
|
|
Weight for this step=-.15672E+00 0.10416E+02
|
|
beta (00000128)=0.132907880569990E+02
|
|
gamma(00000128)=0.132907880569990E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 128
|
|
z1= 1 -.975654113411720E-06 0.000000000000000E+00
|
|
z1= 2 -.973660483386434E-02 0.000000000000000E+00
|
|
z1= 3 0.745895181534281E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000128)=0.000000000000000E+00
|
|
(calc=0.127747966685744E+02 read=0.127747966685744E+02)
|
|
Weight for this step=-.10225E+00 0.12020E+02
|
|
beta (00000129)=0.127747966685744E+02
|
|
gamma(00000129)=0.127747966685744E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 129
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000129)=0.000000000000000E+00
|
|
(calc=0.132951250145243E+02 read=0.132951250145243E+02)
|
|
Weight for this step=0.15687E+00 -.10221E+02
|
|
beta (00000130)=0.132951250145243E+02
|
|
gamma(00000130)=0.132951250145243E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 130
|
|
z1= 1 0.100437339109602E-05 0.000000000000000E+00
|
|
z1= 2 0.941463236472839E-02 0.000000000000000E+00
|
|
z1= 3 -.677406628535890E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000130)=0.000000000000000E+00
|
|
(calc=0.127446356688777E+02 read=0.127446356688777E+02)
|
|
Weight for this step=0.10674E+00 -.12053E+02
|
|
beta (00000131)=0.127446356688777E+02
|
|
gamma(00000131)=0.127446356688777E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 131
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000131)=0.000000000000000E+00
|
|
(calc=0.131433426333794E+02 read=0.131433426333794E+02)
|
|
Weight for this step=-.15722E+00 0.10043E+02
|
|
beta (00000132)=0.131433426333794E+02
|
|
gamma(00000132)=0.131433426333794E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 132
|
|
z1= 1 -.103247959823633E-05 0.000000000000000E+00
|
|
z1= 2 -.917804786629992E-02 0.000000000000000E+00
|
|
z1= 3 0.604218852652549E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000132)=0.000000000000000E+00
|
|
(calc=0.127576292684171E+02 read=0.127576292684171E+02)
|
|
Weight for this step=-.11210E+00 0.12187E+02
|
|
beta (00000133)=0.127576292684171E+02
|
|
gamma(00000133)=0.127576292684171E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 133
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000133)=0.000000000000000E+00
|
|
(calc=0.134670380404582E+02 read=0.134670380404582E+02)
|
|
Weight for this step=0.15527E+00 -.97215E+01
|
|
beta (00000134)=0.134670380404582E+02
|
|
gamma(00000134)=0.134670380404582E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 134
|
|
z1= 1 0.102849093916359E-05 0.000000000000000E+00
|
|
z1= 2 0.869350866361398E-02 0.000000000000000E+00
|
|
z1= 3 -.518605317934907E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000134)=0.000000000000000E+00
|
|
(calc=0.127762132248046E+02 read=0.127762132248046E+02)
|
|
Weight for this step=0.11446E+00 -.12018E+02
|
|
beta (00000135)=0.127762132248046E+02
|
|
gamma(00000135)=0.127762132248046E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 135
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000135)=0.000000000000000E+00
|
|
(calc=0.134260226782820E+02 read=0.134260226782820E+02)
|
|
Weight for this step=-.15686E+00 0.96315E+01
|
|
beta (00000136)=0.134260226782820E+02
|
|
gamma(00000136)=0.134260226782820E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 136
|
|
z1= 1 -.102584878773973E-05 0.000000000000000E+00
|
|
z1= 2 -.830312207588573E-02 0.000000000000000E+00
|
|
z1= 3 0.433753785011393E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000136)=0.000000000000000E+00
|
|
(calc=0.129114184456332E+02 read=0.129114184456332E+02)
|
|
Weight for this step=-.11729E+00 0.11906E+02
|
|
beta (00000137)=0.129114184456332E+02
|
|
gamma(00000137)=0.129114184456332E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 137
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000137)=0.000000000000000E+00
|
|
(calc=0.133836379120135E+02 read=0.133836379120135E+02)
|
|
Weight for this step=0.15624E+00 -.94117E+01
|
|
beta (00000138)=0.133836379120135E+02
|
|
gamma(00000138)=0.133836379120135E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 138
|
|
z1= 1 0.103366617286047E-05 0.000000000000000E+00
|
|
z1= 2 0.809071070514883E-02 0.000000000000000E+00
|
|
z1= 3 -.364009874781479E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000138)=0.000000000000000E+00
|
|
(calc=0.129445319033460E+02 read=0.129445319033460E+02)
|
|
Weight for this step=0.12149E+00 -.11946E+02
|
|
beta (00000139)=0.129445319033460E+02
|
|
gamma(00000139)=0.129445319033460E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 139
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000139)=0.000000000000000E+00
|
|
(calc=0.135470965860482E+02 read=0.135470965860482E+02)
|
|
Weight for this step=-.15447E+00 0.91269E+01
|
|
beta (00000140)=0.135470965860482E+02
|
|
gamma(00000140)=0.135470965860482E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 140
|
|
z1= 1 -.103779878763343E-05 0.000000000000000E+00
|
|
z1= 2 -.782226028085625E-02 0.000000000000000E+00
|
|
z1= 3 0.296632566743369E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000140)=0.000000000000000E+00
|
|
(calc=0.127278504636548E+02 read=0.127278504636548E+02)
|
|
Weight for this step=-.12423E+00 0.11856E+02
|
|
beta (00000141)=0.127278504636548E+02
|
|
gamma(00000141)=0.127278504636548E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 141
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000141)=0.000000000000000E+00
|
|
(calc=0.134909219977230E+02 read=0.134909219977230E+02)
|
|
Weight for this step=0.15710E+00 -.91046E+01
|
|
beta (00000142)=0.134909219977230E+02
|
|
gamma(00000142)=0.134909219977230E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 142
|
|
z1= 1 0.103218787497771E-05 0.000000000000000E+00
|
|
z1= 2 0.747261402129886E-02 0.000000000000000E+00
|
|
z1= 3 -.211168278339561E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000142)=0.000000000000000E+00
|
|
(calc=0.127388173235863E+02 read=0.127388173235863E+02)
|
|
Weight for this step=0.12550E+00 -.11627E+02
|
|
beta (00000143)=0.127388173235863E+02
|
|
gamma(00000143)=0.127388173235863E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 143
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000143)=0.000000000000000E+00
|
|
(calc=0.134409852480717E+02 read=0.134409852480717E+02)
|
|
Weight for this step=-.15901E+00 0.90447E+01
|
|
beta (00000144)=0.134409852480717E+02
|
|
gamma(00000144)=0.134409852480717E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 144
|
|
z1= 1 -.103565262227386E-05 0.000000000000000E+00
|
|
z1= 2 -.714991515082834E-02 0.000000000000000E+00
|
|
z1= 3 0.144201465746610E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000144)=0.000000000000000E+00
|
|
(calc=0.129263364384594E+02 read=0.129263364384594E+02)
|
|
Weight for this step=-.12736E+00 0.11460E+02
|
|
beta (00000145)=0.129263364384594E+02
|
|
gamma(00000145)=0.129263364384594E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 145
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000145)=0.000000000000000E+00
|
|
(calc=0.133955208992933E+02 read=0.133955208992933E+02)
|
|
Weight for this step=0.15800E+00 -.88245E+01
|
|
beta (00000146)=0.133955208992933E+02
|
|
gamma(00000146)=0.133955208992933E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 146
|
|
z1= 1 0.105951222333892E-05 0.000000000000000E+00
|
|
z1= 2 0.694935720809958E-02 0.000000000000000E+00
|
|
z1= 3 -.825981350774277E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000146)=0.000000000000000E+00
|
|
(calc=0.128294766287082E+02 read=0.128294766287082E+02)
|
|
Weight for this step=0.13128E+00 -.11490E+02
|
|
beta (00000147)=0.128294766287082E+02
|
|
gamma(00000147)=0.128294766287082E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 147
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000147)=0.000000000000000E+00
|
|
(calc=0.136375174458535E+02 read=0.136375174458535E+02)
|
|
Weight for this step=-.15738E+00 0.86276E+01
|
|
beta (00000148)=0.136375174458535E+02
|
|
gamma(00000148)=0.136375174458535E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 148
|
|
z1= 1 -.105904615362918E-05 0.000000000000000E+00
|
|
z1= 2 -.656973454849849E-02 0.000000000000000E+00
|
|
z1= 3 0.312275559188240E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000148)=0.000000000000000E+00
|
|
(calc=0.127203037165633E+02 read=0.127203037165633E+02)
|
|
Weight for this step=-.13169E+00 0.11223E+02
|
|
beta (00000149)=0.127203037165633E+02
|
|
gamma(00000149)=0.127203037165633E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 149
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000149)=0.000000000000000E+00
|
|
(calc=0.135407488726473E+02 read=0.135407488726473E+02)
|
|
Weight for this step=0.16107E+00 -.86722E+01
|
|
beta (00000150)=0.135407488726473E+02
|
|
gamma(00000150)=0.135407488726473E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 150
|
|
z1= 1 0.106239516298070E-05 0.000000000000000E+00
|
|
z1= 2 0.618147335007543E-02 0.000000000000000E+00
|
|
z1= 3 0.294653150650936E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000150)=0.000000000000000E+00
|
|
(calc=0.126679041497047E+02 read=0.126679041497047E+02)
|
|
Weight for this step=0.13213E+00 -.10962E+02
|
|
beta (00000151)=0.126679041497047E+02
|
|
gamma(00000151)=0.126679041497047E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 151
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000151)=0.000000000000000E+00
|
|
(calc=0.134957579036312E+02 read=0.134957579036312E+02)
|
|
Weight for this step=-.16447E+00 0.87032E+01
|
|
beta (00000152)=0.134957579036312E+02
|
|
gamma(00000152)=0.134957579036312E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 152
|
|
z1= 1 -.105917121673857E-05 0.000000000000000E+00
|
|
z1= 2 -.579877918204266E-02 0.000000000000000E+00
|
|
z1= 3 -.828648795436239E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000152)=0.000000000000000E+00
|
|
(calc=0.125471913599242E+02 read=0.125471913599242E+02)
|
|
Weight for this step=-.13265E+00 0.10712E+02
|
|
beta (00000153)=0.125471913599242E+02
|
|
gamma(00000153)=0.125471913599242E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 153
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000153)=0.000000000000000E+00
|
|
(calc=0.132884917450183E+02 read=0.132884917450183E+02)
|
|
Weight for this step=0.16913E+00 -.88024E+01
|
|
beta (00000154)=0.132884917450183E+02
|
|
gamma(00000154)=0.132884917450183E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 154
|
|
z1= 1 0.105818799361456E-05 0.000000000000000E+00
|
|
z1= 2 0.545214156660806E-02 0.000000000000000E+00
|
|
z1= 3 0.142514987836568E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000154)=0.000000000000000E+00
|
|
(calc=0.128413064816161E+02 read=0.128413064816161E+02)
|
|
Weight for this step=0.13425E+00 -.10548E+02
|
|
beta (00000155)=0.128413064816161E+02
|
|
gamma(00000155)=0.128413064816161E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 155
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000155)=0.000000000000000E+00
|
|
(calc=0.133879555574154E+02 read=0.133879555574154E+02)
|
|
Weight for this step=-.16736E+00 0.85712E+01
|
|
beta (00000156)=0.133879555574154E+02
|
|
gamma(00000156)=0.133879555574154E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 156
|
|
z1= 1 -.107590433559134E-05 0.000000000000000E+00
|
|
z1= 2 -.518976300996476E-02 0.000000000000000E+00
|
|
z1= 3 -.195539046567834E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000156)=0.000000000000000E+00
|
|
(calc=0.128086748716001E+02 read=0.128086748716001E+02)
|
|
Weight for this step=-.13759E+00 0.10536E+02
|
|
beta (00000157)=0.128086748716001E+02
|
|
gamma(00000157)=0.128086748716001E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 157
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000157)=0.000000000000000E+00
|
|
(calc=0.135343390145841E+02 read=0.135343390145841E+02)
|
|
Weight for this step=0.16707E+00 -.84204E+01
|
|
beta (00000158)=0.135343390145841E+02
|
|
gamma(00000158)=0.135343390145841E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 158
|
|
z1= 1 0.107946078301783E-05 0.000000000000000E+00
|
|
z1= 2 0.482107913855394E-02 0.000000000000000E+00
|
|
z1= 3 0.248970499216420E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000158)=0.000000000000000E+00
|
|
(calc=0.127047546512039E+02 read=0.127047546512039E+02)
|
|
Weight for this step=0.13891E+00 -.10379E+02
|
|
beta (00000159)=0.127047546512039E+02
|
|
gamma(00000159)=0.127047546512039E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 159
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000159)=0.000000000000000E+00
|
|
(calc=0.132659523055967E+02 read=0.132659523055967E+02)
|
|
Weight for this step=-.17001E+00 0.84355E+01
|
|
beta (00000160)=0.132659523055967E+02
|
|
gamma(00000160)=0.132659523055967E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 160
|
|
z1= 1 -.108928314458689E-05 0.000000000000000E+00
|
|
z1= 2 -.451839380304038E-02 0.000000000000000E+00
|
|
z1= 3 -.313553387191020E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000160)=0.000000000000000E+00
|
|
(calc=0.125635431020473E+02 read=0.125635431020473E+02)
|
|
Weight for this step=-.14206E+00 0.10356E+02
|
|
beta (00000161)=0.125635431020473E+02
|
|
gamma(00000161)=0.125635431020473E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 161
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000161)=0.000000000000000E+00
|
|
(calc=0.133039659354947E+02 read=0.133039659354947E+02)
|
|
Weight for this step=0.17129E+00 -.83675E+01
|
|
beta (00000162)=0.133039659354947E+02
|
|
gamma(00000162)=0.133039659354947E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 162
|
|
z1= 1 0.107236647758913E-05 0.000000000000000E+00
|
|
z1= 2 0.422995649584881E-02 0.000000000000000E+00
|
|
z1= 3 0.380006947690680E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000162)=0.000000000000000E+00
|
|
(calc=0.127494997661192E+02 read=0.127494997661192E+02)
|
|
Weight for this step=0.14321E+00 -.10191E+02
|
|
beta (00000163)=0.127494997661192E+02
|
|
gamma(00000163)=0.127494997661192E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 163
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000163)=0.000000000000000E+00
|
|
(calc=0.131751258900873E+02 read=0.131751258900873E+02)
|
|
Weight for this step=-.17059E+00 0.82082E+01
|
|
beta (00000164)=0.131751258900873E+02
|
|
gamma(00000164)=0.131751258900873E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 164
|
|
z1= 1 -.107931879048378E-05 0.000000000000000E+00
|
|
z1= 2 -.411027507129953E-02 0.000000000000000E+00
|
|
z1= 3 -.447163887185497E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000164)=0.000000000000000E+00
|
|
(calc=0.126038859000492E+02 read=0.126038859000492E+02)
|
|
Weight for this step=-.14768E+00 0.10270E+02
|
|
beta (00000165)=0.126038859000492E+02
|
|
gamma(00000165)=0.126038859000492E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 165
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000165)=0.000000000000000E+00
|
|
(calc=0.134358658212613E+02 read=0.134358658212613E+02)
|
|
Weight for this step=0.16983E+00 -.80468E+01
|
|
beta (00000166)=0.134358658212613E+02
|
|
gamma(00000166)=0.134358658212613E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 166
|
|
z1= 1 0.106351077201966E-05 0.000000000000000E+00
|
|
z1= 2 0.389749775070855E-02 0.000000000000000E+00
|
|
z1= 3 0.491409726466004E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000166)=0.000000000000000E+00
|
|
(calc=0.127184558380648E+02 read=0.127184558380648E+02)
|
|
Weight for this step=0.14741E+00 -.10026E+02
|
|
beta (00000167)=0.127184558380648E+02
|
|
gamma(00000167)=0.127184558380648E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 167
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000167)=0.000000000000000E+00
|
|
(calc=0.134466489729254E+02 read=0.134466489729254E+02)
|
|
Weight for this step=-.17104E+00 0.79847E+01
|
|
beta (00000168)=0.134466489729254E+02
|
|
gamma(00000168)=0.134466489729254E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 168
|
|
z1= 1 -.106860015988176E-05 0.000000000000000E+00
|
|
z1= 2 -.379400611101051E-02 0.000000000000000E+00
|
|
z1= 3 -.530242690438841E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000168)=0.000000000000000E+00
|
|
(calc=0.127723839590025E+02 read=0.127723839590025E+02)
|
|
Weight for this step=-.14835E+00 0.98717E+01
|
|
beta (00000169)=0.127723839590025E+02
|
|
gamma(00000169)=0.127723839590025E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 169
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000169)=0.000000000000000E+00
|
|
(calc=0.132923294616541E+02 read=0.132923294616541E+02)
|
|
Weight for this step=0.17169E+00 -.79003E+01
|
|
beta (00000170)=0.132923294616541E+02
|
|
gamma(00000170)=0.132923294616541E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 170
|
|
z1= 1 0.108191530806068E-05 0.000000000000000E+00
|
|
z1= 2 0.375436808835560E-02 0.000000000000000E+00
|
|
z1= 3 0.577796892553876E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000170)=0.000000000000000E+00
|
|
(calc=0.127568568816318E+02 read=0.127568568816318E+02)
|
|
Weight for this step=0.15160E+00 -.98746E+01
|
|
beta (00000171)=0.127568568816318E+02
|
|
gamma(00000171)=0.127568568816318E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 171
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000171)=0.000000000000000E+00
|
|
(calc=0.133681871406868E+02 read=0.133681871406868E+02)
|
|
Weight for this step=-.17034E+00 0.77252E+01
|
|
beta (00000172)=0.133681871406868E+02
|
|
gamma(00000172)=0.133681871406868E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 172
|
|
z1= 1 -.108819182292148E-05 0.000000000000000E+00
|
|
z1= 2 -.371256182696771E-02 0.000000000000000E+00
|
|
z1= 3 -.634886751288508E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000172)=0.000000000000000E+00
|
|
(calc=0.127960423053282E+02 read=0.127960423053282E+02)
|
|
Weight for this step=-.15358E+00 0.98013E+01
|
|
beta (00000173)=0.127960423053282E+02
|
|
gamma(00000173)=0.127960423053282E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 173
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000173)=0.000000000000000E+00
|
|
(calc=0.134741881015547E+02 read=0.134741881015547E+02)
|
|
Weight for this step=0.16934E+00 -.75693E+01
|
|
beta (00000174)=0.134741881015547E+02
|
|
gamma(00000174)=0.134741881015547E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 174
|
|
z1= 1 0.109239239843390E-05 0.000000000000000E+00
|
|
z1= 2 0.357095355852630E-02 0.000000000000000E+00
|
|
z1= 3 0.681469873070563E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000174)=0.000000000000000E+00
|
|
(calc=0.128361174105512E+02 read=0.128361174105512E+02)
|
|
Weight for this step=0.15464E+00 -.96757E+01
|
|
beta (00000175)=0.128361174105512E+02
|
|
gamma(00000175)=0.128361174105512E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 175
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000175)=0.000000000000000E+00
|
|
(calc=0.133955757010337E+02 read=0.133955757010337E+02)
|
|
Weight for this step=-.16911E+00 0.74521E+01
|
|
beta (00000176)=0.133955757010337E+02
|
|
gamma(00000176)=0.133955757010337E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 176
|
|
z1= 1 -.110311230164814E-05 0.000000000000000E+00
|
|
z1= 2 -.335493968454716E-02 0.000000000000000E+00
|
|
z1= 3 -.739446794686786E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000176)=0.000000000000000E+00
|
|
(calc=0.127371852541013E+02 read=0.127371852541013E+02)
|
|
Weight for this step=-.15700E+00 0.96358E+01
|
|
beta (00000177)=0.127371852541013E+02
|
|
gamma(00000177)=0.127371852541013E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 177
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000177)=0.000000000000000E+00
|
|
(calc=0.133609366177205E+02 read=0.133609366177205E+02)
|
|
Weight for this step=0.16903E+00 -.73421E+01
|
|
beta (00000178)=0.133609366177205E+02
|
|
gamma(00000178)=0.133609366177205E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 178
|
|
z1= 1 0.111885057118687E-05 0.000000000000000E+00
|
|
z1= 2 0.312200218431379E-02 0.000000000000000E+00
|
|
z1= 3 0.791271319925877E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000178)=0.000000000000000E+00
|
|
(calc=0.126228657734582E+02 read=0.126228657734582E+02)
|
|
Weight for this step=0.15850E+00 -.95456E+01
|
|
beta (00000179)=0.126228657734582E+02
|
|
gamma(00000179)=0.126228657734582E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 179
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000179)=0.000000000000000E+00
|
|
(calc=0.134189404990344E+02 read=0.134189404990344E+02)
|
|
Weight for this step=-.16994E+00 0.72764E+01
|
|
beta (00000180)=0.134189404990344E+02
|
|
gamma(00000180)=0.134189404990344E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 180
|
|
z1= 1 -.111730974403004E-05 0.000000000000000E+00
|
|
z1= 2 -.280505210291405E-02 0.000000000000000E+00
|
|
z1= 3 -.847025019017240E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000180)=0.000000000000000E+00
|
|
(calc=0.127642316802466E+02 read=0.127642316802466E+02)
|
|
Weight for this step=-.15793E+00 0.93343E+01
|
|
beta (00000181)=0.127642316802466E+02
|
|
gamma(00000181)=0.127642316802466E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 181
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000181)=0.000000000000000E+00
|
|
(calc=0.134409141429390E+02 read=0.134409141429390E+02)
|
|
Weight for this step=0.16982E+00 -.71710E+01
|
|
beta (00000182)=0.134409141429390E+02
|
|
gamma(00000182)=0.134409141429390E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 182
|
|
z1= 1 0.112232772496923E-05 0.000000000000000E+00
|
|
z1= 2 0.252770498377594E-02 0.000000000000000E+00
|
|
z1= 3 0.910795989597169E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000182)=0.000000000000000E+00
|
|
(calc=0.128179025753085E+02 read=0.128179025753085E+02)
|
|
Weight for this step=0.15879E+00 -.92136E+01
|
|
beta (00000183)=0.128179025753085E+02
|
|
gamma(00000183)=0.128179025753085E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 183
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000183)=0.000000000000000E+00
|
|
(calc=0.135090366548233E+02 read=0.135090366548233E+02)
|
|
Weight for this step=-.16925E+00 0.70490E+01
|
|
beta (00000184)=0.135090366548233E+02
|
|
gamma(00000184)=0.135090366548233E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 184
|
|
z1= 1 -.111687856092476E-05 0.000000000000000E+00
|
|
z1= 2 -.229158041477047E-02 0.000000000000000E+00
|
|
z1= 3 -.984247161710467E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000184)=0.000000000000000E+00
|
|
(calc=0.129152285336588E+02 read=0.129152285336588E+02)
|
|
Weight for this step=-.15939E+00 0.90837E+01
|
|
beta (00000185)=0.129152285336588E+02
|
|
gamma(00000185)=0.129152285336588E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 185
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000185)=0.000000000000000E+00
|
|
(calc=0.133109443639838E+02 read=0.133109443639838E+02)
|
|
Weight for this step=0.16825E+00 -.69127E+01
|
|
beta (00000186)=0.133109443639838E+02
|
|
gamma(00000186)=0.133109443639838E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 186
|
|
z1= 1 0.113063033166556E-05 0.000000000000000E+00
|
|
z1= 2 0.208359887777609E-02 0.000000000000000E+00
|
|
z1= 3 0.107145512976423E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000186)=0.000000000000000E+00
|
|
(calc=0.127266820868849E+02 read=0.127266820868849E+02)
|
|
Weight for this step=0.16344E+00 -.91536E+01
|
|
beta (00000187)=0.127266820868849E+02
|
|
gamma(00000187)=0.127266820868849E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 187
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000187)=0.000000000000000E+00
|
|
(calc=0.134537882143667E+02 read=0.134537882143667E+02)
|
|
Weight for this step=-.16685E+00 0.67592E+01
|
|
beta (00000188)=0.134537882143667E+02
|
|
gamma(00000188)=0.134537882143667E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 188
|
|
z1= 1 -.110250468056232E-05 0.000000000000000E+00
|
|
z1= 2 -.185796026025172E-02 0.000000000000000E+00
|
|
z1= 3 -.113343429432875E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000188)=0.000000000000000E+00
|
|
(calc=0.129513207015717E+02 read=0.129513207015717E+02)
|
|
Weight for this step=-.16323E+00 0.89878E+01
|
|
beta (00000189)=0.129513207015717E+02
|
|
gamma(00000189)=0.129513207015717E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 189
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000189)=0.000000000000000E+00
|
|
(calc=0.137067210021585E+02 read=0.137067210021585E+02)
|
|
Weight for this step=0.16438E+00 -.65672E+01
|
|
beta (00000190)=0.137067210021585E+02
|
|
gamma(00000190)=0.137067210021585E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 190
|
|
z1= 1 0.107499442737009E-05 0.000000000000000E+00
|
|
z1= 2 0.163471384436023E-02 0.000000000000000E+00
|
|
z1= 3 0.116534852662956E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000190)=0.000000000000000E+00
|
|
(calc=0.128651907089398E+02 read=0.128651907089398E+02)
|
|
Weight for this step=0.16256E+00 -.88061E+01
|
|
beta (00000191)=0.128651907089398E+02
|
|
gamma(00000191)=0.128651907089398E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 191
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000191)=0.000000000000000E+00
|
|
(calc=0.134373743593997E+02 read=0.134373743593997E+02)
|
|
Weight for this step=-.16617E+00 0.65487E+01
|
|
beta (00000192)=0.134373743593997E+02
|
|
gamma(00000192)=0.134373743593997E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 192
|
|
z1= 1 -.105886825545751E-05 0.000000000000000E+00
|
|
z1= 2 -.143886348858214E-02 0.000000000000000E+00
|
|
z1= 3 -.121411707353785E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000192)=0.000000000000000E+00
|
|
(calc=0.127839054630780E+02 read=0.127839054630780E+02)
|
|
Weight for this step=-.16422E+00 0.87501E+01
|
|
beta (00000193)=0.127839054630780E+02
|
|
gamma(00000193)=0.127839054630780E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 193
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000193)=0.000000000000000E+00
|
|
(calc=0.131981222093619E+02 read=0.131981222093619E+02)
|
|
Weight for this step=0.16557E+00 -.64354E+01
|
|
beta (00000194)=0.131981222093619E+02
|
|
gamma(00000194)=0.131981222093619E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 194
|
|
z1= 1 0.105305425094444E-05 0.000000000000000E+00
|
|
z1= 2 0.131549665139537E-02 0.000000000000000E+00
|
|
z1= 3 0.127175235195348E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000194)=0.000000000000000E+00
|
|
(calc=0.126839715566835E+02 read=0.126839715566835E+02)
|
|
Weight for this step=0.16777E+00 -.87947E+01
|
|
beta (00000195)=0.126839715566835E+02
|
|
gamma(00000195)=0.126839715566835E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 195
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000195)=0.000000000000000E+00
|
|
(calc=0.133139850083846E+02 read=0.133139850083846E+02)
|
|
Weight for this step=-.16293E+00 0.62424E+01
|
|
beta (00000196)=0.133139850083846E+02
|
|
gamma(00000196)=0.133139850083846E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 196
|
|
z1= 1 -.102930308852741E-05 0.000000000000000E+00
|
|
z1= 2 -.121596013638692E-02 0.000000000000000E+00
|
|
z1= 3 -.131999883206248E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000196)=0.000000000000000E+00
|
|
(calc=0.126079514649386E+02 read=0.126079514649386E+02)
|
|
Weight for this step=-.16831E+00 0.86854E+01
|
|
beta (00000197)=0.126079514649386E+02
|
|
gamma(00000197)=0.126079514649386E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 197
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000197)=0.000000000000000E+00
|
|
(calc=0.136343173950944E+02 read=0.136343173950944E+02)
|
|
Weight for this step=0.16263E+00 -.61411E+01
|
|
beta (00000198)=0.136343173950944E+02
|
|
gamma(00000198)=0.136343173950944E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 198
|
|
z1= 1 0.981642291674432E-06 0.000000000000000E+00
|
|
z1= 2 0.114358291716641E-02 0.000000000000000E+00
|
|
z1= 3 0.131332220974995E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000198)=0.000000000000000E+00
|
|
(calc=0.126706235348146E+02 read=0.126706235348146E+02)
|
|
Weight for this step=0.16390E+00 -.83264E+01
|
|
beta (00000199)=0.126706235348146E+02
|
|
gamma(00000199)=0.126706235348146E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 199
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000199)=0.000000000000000E+00
|
|
(calc=0.134978599498391E+02 read=0.134978599498391E+02)
|
|
Weight for this step=-.16588E+00 0.61780E+01
|
|
beta (00000200)=0.134978599498391E+02
|
|
gamma(00000200)=0.134978599498391E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 200
|
|
z1= 1 -.955347674870414E-06 0.000000000000000E+00
|
|
z1= 2 -.113916140398469E-02 0.000000000000000E+00
|
|
z1= 3 -.133730305478007E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000200)=0.000000000000000E+00
|
|
(calc=0.126143087869868E+02 read=0.126143087869868E+02)
|
|
Weight for this step=-.16236E+00 0.81157E+01
|
|
beta (00000201)=0.126143087869868E+02
|
|
gamma(00000201)=0.126143087869868E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 201
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000201)=0.000000000000000E+00
|
|
(calc=0.133826767928539E+02 read=0.133826767928539E+02)
|
|
Weight for this step=0.16843E+00 -.61896E+01
|
|
beta (00000202)=0.133826767928539E+02
|
|
gamma(00000202)=0.133826767928539E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 202
|
|
z1= 1 0.927116197872897E-06 0.000000000000000E+00
|
|
z1= 2 0.113989695775037E-02 0.000000000000000E+00
|
|
z1= 3 0.133624008330296E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000202)=0.000000000000000E+00
|
|
(calc=0.127737830500156E+02 read=0.127737830500156E+02)
|
|
Weight for this step=0.16173E+00 -.79525E+01
|
|
beta (00000203)=0.127737830500156E+02
|
|
gamma(00000203)=0.127737830500156E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 203
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000203)=0.000000000000000E+00
|
|
(calc=0.135575572400017E+02 read=0.135575572400017E+02)
|
|
Weight for this step=-.16754E+00 0.60771E+01
|
|
beta (00000204)=0.135575572400017E+02
|
|
gamma(00000204)=0.135575572400017E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 204
|
|
z1= 1 -.896363712115343E-06 0.000000000000000E+00
|
|
z1= 2 -.112066319849019E-02 0.000000000000000E+00
|
|
z1= 3 -.134432142647400E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000204)=0.000000000000000E+00
|
|
(calc=0.128450529322169E+02 read=0.128450529322169E+02)
|
|
Weight for this step=-.16092E+00 0.77862E+01
|
|
beta (00000205)=0.128450529322169E+02
|
|
gamma(00000205)=0.128450529322169E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 205
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000205)=0.000000000000000E+00
|
|
(calc=0.134791517419749E+02 read=0.134791517419749E+02)
|
|
Weight for this step=0.16803E+00 -.60174E+01
|
|
beta (00000206)=0.134791517419749E+02
|
|
gamma(00000206)=0.134791517419749E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 206
|
|
z1= 1 0.883322866461348E-06 0.000000000000000E+00
|
|
z1= 2 0.117521975788877E-02 0.000000000000000E+00
|
|
z1= 3 0.133889799755173E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000206)=0.000000000000000E+00
|
|
(calc=0.127620232765468E+02 read=0.127620232765468E+02)
|
|
Weight for this step=0.16196E+00 -.77121E+01
|
|
beta (00000207)=0.127620232765468E+02
|
|
gamma(00000207)=0.127620232765468E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 207
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000207)=0.000000000000000E+00
|
|
(calc=0.133839133766670E+02 read=0.133839133766670E+02)
|
|
Weight for this step=-.16856E+00 0.59600E+01
|
|
beta (00000208)=0.133839133766670E+02
|
|
gamma(00000208)=0.133839133766670E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 208
|
|
z1= 1 -.878535337546591E-06 0.000000000000000E+00
|
|
z1= 2 -.125146245668752E-02 0.000000000000000E+00
|
|
z1= 3 -.133679469833302E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000208)=0.000000000000000E+00
|
|
(calc=0.126288010205754E+02 read=0.126288010205754E+02)
|
|
Weight for this step=-.16312E+00 0.76452E+01
|
|
beta (00000209)=0.126288010205754E+02
|
|
gamma(00000209)=0.126288010205754E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 209
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000209)=0.000000000000000E+00
|
|
(calc=0.135242396688555E+02 read=0.135242396688555E+02)
|
|
Weight for this step=0.16958E+00 -.59201E+01
|
|
beta (00000210)=0.135242396688555E+02
|
|
gamma(00000210)=0.135242396688555E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 210
|
|
z1= 1 0.873681965328152E-06 0.000000000000000E+00
|
|
z1= 2 0.133348372586061E-02 0.000000000000000E+00
|
|
z1= 3 0.130806393405496E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000210)=0.000000000000000E+00
|
|
(calc=0.126503349545983E+02 read=0.126503349545983E+02)
|
|
Weight for this step=0.16097E+00 -.74256E+01
|
|
beta (00000211)=0.126503349545983E+02
|
|
gamma(00000211)=0.126503349545983E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 211
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000211)=0.000000000000000E+00
|
|
(calc=0.135864429532374E+02 read=0.135864429532374E+02)
|
|
Weight for this step=-.17238E+00 0.59448E+01
|
|
beta (00000212)=0.135864429532374E+02
|
|
gamma(00000212)=0.135864429532374E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 212
|
|
z1= 1 -.865499704505706E-06 0.000000000000000E+00
|
|
z1= 2 -.134121092682849E-02 0.000000000000000E+00
|
|
z1= 3 -.129392508056903E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000212)=0.000000000000000E+00
|
|
(calc=0.126859768542068E+02 read=0.126859768542068E+02)
|
|
Weight for this step=-.15862E+00 0.72004E+01
|
|
beta (00000213)=0.126859768542068E+02
|
|
gamma(00000213)=0.126859768542068E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 213
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000213)=0.000000000000000E+00
|
|
(calc=0.134727092063749E+02 read=0.134727092063749E+02)
|
|
Weight for this step=0.17586E+00 -.59953E+01
|
|
beta (00000214)=0.134727092063749E+02
|
|
gamma(00000214)=0.134727092063749E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 214
|
|
z1= 1 0.850029226464287E-06 0.000000000000000E+00
|
|
z1= 2 0.124209442916493E-02 0.000000000000000E+00
|
|
z1= 3 0.130801361068462E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000214)=0.000000000000000E+00
|
|
(calc=0.125567704421397E+02 read=0.125567704421397E+02)
|
|
Weight for this step=0.15835E+00 -.70712E+01
|
|
beta (00000215)=0.125567704421397E+02
|
|
gamma(00000215)=0.125567704421397E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 215
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000215)=0.000000000000000E+00
|
|
(calc=0.132488421462506E+02 read=0.132488421462506E+02)
|
|
Weight for this step=-.17987E+00 0.60640E+01
|
|
beta (00000216)=0.132488421462506E+02
|
|
gamma(00000216)=0.132488421462506E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 216
|
|
z1= 1 -.851693890188861E-06 0.000000000000000E+00
|
|
z1= 2 -.111931306454405E-02 0.000000000000000E+00
|
|
z1= 3 -.131337116169493E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000216)=0.000000000000000E+00
|
|
(calc=0.124624319850318E+02 read=0.124624319850318E+02)
|
|
Weight for this step=-.15942E+00 0.70014E+01
|
|
beta (00000217)=0.124624319850318E+02
|
|
gamma(00000217)=0.124624319850318E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 217
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000217)=0.000000000000000E+00
|
|
(calc=0.136513087968110E+02 read=0.136513087968110E+02)
|
|
Weight for this step=0.18229E+00 -.60789E+01
|
|
beta (00000218)=0.136513087968110E+02
|
|
gamma(00000218)=0.136513087968110E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 218
|
|
z1= 1 0.828443591122628E-06 0.000000000000000E+00
|
|
z1= 2 0.927181250573297E-03 0.000000000000000E+00
|
|
z1= 3 0.126686686126499E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000218)=0.000000000000000E+00
|
|
(calc=0.127274188956597E+02 read=0.127274188956597E+02)
|
|
Weight for this step=0.15472E+00 -.66831E+01
|
|
beta (00000219)=0.127274188956597E+02
|
|
gamma(00000219)=0.127274188956597E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 219
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000219)=0.000000000000000E+00
|
|
(calc=0.134287314094792E+02 read=0.134287314094792E+02)
|
|
Weight for this step=-.18703E+00 0.61764E+01
|
|
beta (00000220)=0.134287314094792E+02
|
|
gamma(00000220)=0.134287314094792E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 220
|
|
z1= 1 -.850437689616478E-06 0.000000000000000E+00
|
|
z1= 2 -.776987579438799E-03 0.000000000000000E+00
|
|
z1= 3 -.126554353487289E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000220)=0.000000000000000E+00
|
|
(calc=0.127703411449233E+02 read=0.127703411449233E+02)
|
|
Weight for this step=-.15622E+00 0.66352E+01
|
|
beta (00000221)=0.127703411449233E+02
|
|
gamma(00000221)=0.127703411449233E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 221
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000221)=0.000000000000000E+00
|
|
(calc=0.132933884841728E+02 read=0.132933884841728E+02)
|
|
Weight for this step=0.18815E+00 -.61548E+01
|
|
beta (00000222)=0.132933884841728E+02
|
|
gamma(00000222)=0.132933884841728E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 222
|
|
z1= 1 0.872606113910650E-06 0.000000000000000E+00
|
|
z1= 2 0.620844232344617E-03 0.000000000000000E+00
|
|
z1= 3 0.130815154296470E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000222)=0.000000000000000E+00
|
|
(calc=0.128282686446039E+02 read=0.128282686446039E+02)
|
|
Weight for this step=0.15980E+00 -.66772E+01
|
|
beta (00000223)=0.128282686446039E+02
|
|
gamma(00000223)=0.128282686446039E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 223
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000223)=0.000000000000000E+00
|
|
(calc=0.132058908487242E+02 read=0.132058908487242E+02)
|
|
Weight for this step=-.18630E+00 0.60372E+01
|
|
beta (00000224)=0.132058908487242E+02
|
|
gamma(00000224)=0.132058908487242E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 224
|
|
z1= 1 -.910036462365912E-06 0.000000000000000E+00
|
|
z1= 2 -.430553878533129E-03 0.000000000000000E+00
|
|
z1= 3 -.133526239660416E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000224)=0.000000000000000E+00
|
|
(calc=0.129770312977519E+02 read=0.129770312977519E+02)
|
|
Weight for this step=-.16492E+00 0.67855E+01
|
|
beta (00000225)=0.129770312977519E+02
|
|
gamma(00000225)=0.129770312977519E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 225
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000225)=0.000000000000000E+00
|
|
(calc=0.133541700347540E+02 read=0.133541700347540E+02)
|
|
Weight for this step=0.18074E+00 -.58014E+01
|
|
beta (00000226)=0.133541700347540E+02
|
|
gamma(00000226)=0.133541700347540E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 226
|
|
z1= 1 0.944399509473365E-06 0.000000000000000E+00
|
|
z1= 2 0.236409851760667E-03 0.000000000000000E+00
|
|
z1= 3 0.137376591355441E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000226)=0.000000000000000E+00
|
|
(calc=0.128225225663633E+02 read=0.128225225663633E+02)
|
|
Weight for this step=0.16956E+00 -.68782E+01
|
|
beta (00000227)=0.128225225663633E+02
|
|
gamma(00000227)=0.128225225663633E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 227
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000227)=0.000000000000000E+00
|
|
(calc=0.135109060216889E+02 read=0.135109060216889E+02)
|
|
Weight for this step=-.17904E+00 0.56908E+01
|
|
beta (00000228)=0.135109060216889E+02
|
|
gamma(00000228)=0.135109060216889E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 228
|
|
z1= 1 -.953996327546225E-06 0.000000000000000E+00
|
|
z1= 2 -.768633584714564E-04 0.000000000000000E+00
|
|
z1= 3 -.133799529341186E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000228)=0.000000000000000E+00
|
|
(calc=0.127024334944472E+02 read=0.127024334944472E+02)
|
|
Weight for this step=-.17002E+00 0.68035E+01
|
|
beta (00000229)=0.127024334944472E+02
|
|
gamma(00000229)=0.127024334944472E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 229
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000229)=0.000000000000000E+00
|
|
(calc=0.134491715501510E+02 read=0.134491715501510E+02)
|
|
Weight for this step=0.18114E+00 -.57024E+01
|
|
beta (00000230)=0.134491715501510E+02
|
|
gamma(00000230)=0.134491715501510E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 230
|
|
z1= 1 0.972377776034539E-06 0.000000000000000E+00
|
|
z1= 2 -.455748279973040E-04 0.000000000000000E+00
|
|
z1= 3 0.133965330115609E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000230)=0.000000000000000E+00
|
|
(calc=0.129123603371113E+02 read=0.129123603371113E+02)
|
|
Weight for this step=0.16982E+00 -.67033E+01
|
|
beta (00000231)=0.129123603371113E+02
|
|
gamma(00000231)=0.129123603371113E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 231
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000231)=0.000000000000000E+00
|
|
(calc=0.137268104971942E+02 read=0.137268104971942E+02)
|
|
Weight for this step=-.17954E+00 0.55997E+01
|
|
beta (00000232)=0.137268104971942E+02
|
|
gamma(00000232)=0.137268104971942E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 232
|
|
z1= 1 -.987285613867663E-06 0.000000000000000E+00
|
|
z1= 2 0.113504737881565E-03 0.000000000000000E+00
|
|
z1= 3 -.130940158504415E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000232)=0.000000000000000E+00
|
|
(calc=0.127781174563640E+02 read=0.127781174563640E+02)
|
|
Weight for this step=-.16871E+00 0.65726E+01
|
|
beta (00000233)=0.127781174563640E+02
|
|
gamma(00000233)=0.127781174563640E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 233
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000233)=0.000000000000000E+00
|
|
(calc=0.133503612623734E+02 read=0.133503612623734E+02)
|
|
Weight for this step=0.18372E+00 -.56788E+01
|
|
beta (00000234)=0.133503612623734E+02
|
|
gamma(00000234)=0.133503612623734E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 234
|
|
z1= 1 0.100948176495839E-05 0.000000000000000E+00
|
|
z1= 2 -.180127206282899E-03 0.000000000000000E+00
|
|
z1= 3 0.132116743718742E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000234)=0.000000000000000E+00
|
|
(calc=0.125912024451843E+02 read=0.125912024451843E+02)
|
|
Weight for this step=0.17091E+00 -.65693E+01
|
|
beta (00000235)=0.125912024451843E+02
|
|
gamma(00000235)=0.125912024451843E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 235
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000235)=0.000000000000000E+00
|
|
(calc=0.133931141622375E+02 read=0.133931141622375E+02)
|
|
Weight for this step=-.18539E+00 0.56796E+01
|
|
beta (00000236)=0.133931141622375E+02
|
|
gamma(00000236)=0.133931141622375E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 236
|
|
z1= 1 -.102199228193406E-05 0.000000000000000E+00
|
|
z1= 2 0.213806717262668E-03 0.000000000000000E+00
|
|
z1= 3 -.127841568937180E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000236)=0.000000000000000E+00
|
|
(calc=0.128915668099101E+02 read=0.128915668099101E+02)
|
|
Weight for this step=-.17016E+00 0.64535E+01
|
|
beta (00000237)=0.128915668099101E+02
|
|
gamma(00000237)=0.128915668099101E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 237
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000237)=0.000000000000000E+00
|
|
(calc=0.135197304826154E+02 read=0.135197304826154E+02)
|
|
Weight for this step=0.18346E+00 -.55729E+01
|
|
beta (00000238)=0.135197304826154E+02
|
|
gamma(00000238)=0.135197304826154E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 238
|
|
z1= 1 0.104532951208025E-05 0.000000000000000E+00
|
|
z1= 2 -.247530223507467E-03 0.000000000000000E+00
|
|
z1= 3 0.127062360820615E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000238)=0.000000000000000E+00
|
|
(calc=0.127636396902612E+02 read=0.127636396902612E+02)
|
|
Weight for this step=0.17155E+00 -.64235E+01
|
|
beta (00000239)=0.127636396902612E+02
|
|
gamma(00000239)=0.127636396902612E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 239
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000239)=0.000000000000000E+00
|
|
(calc=0.133597409977578E+02 read=0.133597409977578E+02)
|
|
Weight for this step=-.18502E+00 0.55736E+01
|
|
beta (00000240)=0.133597409977578E+02
|
|
gamma(00000240)=0.133597409977578E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 240
|
|
z1= 1 -.108161975349722E-05 0.000000000000000E+00
|
|
z1= 2 0.255333974630641E-03 0.000000000000000E+00
|
|
z1= 3 -.126380092439678E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000240)=0.000000000000000E+00
|
|
(calc=0.127491178290454E+02 read=0.127491178290454E+02)
|
|
Weight for this step=-.17338E+00 0.64100E+01
|
|
beta (00000241)=0.127491178290454E+02
|
|
gamma(00000241)=0.127491178290454E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 241
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000241)=0.000000000000000E+00
|
|
(calc=0.134029042455223E+02 read=0.134029042455223E+02)
|
|
Weight for this step=0.18448E+00 -.55115E+01
|
|
beta (00000242)=0.134029042455223E+02
|
|
gamma(00000242)=0.134029042455223E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 242
|
|
z1= 1 0.110527521734105E-05 0.000000000000000E+00
|
|
z1= 2 -.217567045153732E-03 0.000000000000000E+00
|
|
z1= 3 0.125295766502956E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000242)=0.000000000000000E+00
|
|
(calc=0.128892946334448E+02 read=0.128892946334448E+02)
|
|
Weight for this step=0.17435E+00 -.63665E+01
|
|
beta (00000243)=0.128892946334448E+02
|
|
gamma(00000243)=0.128892946334448E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 243
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000243)=0.000000000000000E+00
|
|
(calc=0.135139866616815E+02 read=0.135139866616815E+02)
|
|
Weight for this step=-.18248E+00 0.54078E+01
|
|
beta (00000244)=0.135139866616815E+02
|
|
gamma(00000244)=0.135139866616815E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 244
|
|
z1= 1 -.113487958593346E-05 0.000000000000000E+00
|
|
z1= 2 0.176696891781706E-03 0.000000000000000E+00
|
|
z1= 3 -.123572124250320E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000244)=0.000000000000000E+00
|
|
(calc=0.125465536733505E+02 read=0.125465536733505E+02)
|
|
Weight for this step=-.17553E+00 0.63341E+01
|
|
beta (00000245)=0.125465536733505E+02
|
|
gamma(00000245)=0.125465536733505E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 245
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000245)=0.000000000000000E+00
|
|
(calc=0.130511079468503E+02 read=0.130511079468503E+02)
|
|
Weight for this step=0.18689E+00 -.54943E+01
|
|
beta (00000246)=0.130511079468503E+02
|
|
gamma(00000246)=0.130511079468503E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 246
|
|
z1= 1 0.118721851062684E-05 0.000000000000000E+00
|
|
z1= 2 -.687408421305370E-04 0.000000000000000E+00
|
|
z1= 3 0.124278943569936E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000246)=0.000000000000000E+00
|
|
(calc=0.125672198386659E+02 read=0.125672198386659E+02)
|
|
Weight for this step=0.17853E+00 -.63648E+01
|
|
beta (00000247)=0.125672198386659E+02
|
|
gamma(00000247)=0.125672198386659E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 247
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000247)=0.000000000000000E+00
|
|
(calc=0.133322035592173E+02 read=0.133322035592173E+02)
|
|
Weight for this step=-.18428E+00 0.53743E+01
|
|
beta (00000248)=0.133322035592173E+02
|
|
gamma(00000248)=0.133322035592173E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 248
|
|
z1= 1 -.121480099398059E-05 0.000000000000000E+00
|
|
z1= 2 -.265981713172530E-04 0.000000000000000E+00
|
|
z1= 3 -.123385205859857E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000248)=0.000000000000000E+00
|
|
(calc=0.127880922753763E+02 read=0.127880922753763E+02)
|
|
Weight for this step=-.17774E+00 0.62634E+01
|
|
beta (00000249)=0.127880922753763E+02
|
|
gamma(00000249)=0.127880922753763E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 249
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000249)=0.000000000000000E+00
|
|
(calc=0.134565568619762E+02 read=0.134565568619762E+02)
|
|
Weight for this step=0.18253E+00 -.52824E+01
|
|
beta (00000250)=0.134565568619762E+02
|
|
gamma(00000250)=0.134565568619762E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 250
|
|
z1= 1 0.126107430284883E-05 0.000000000000000E+00
|
|
z1= 2 0.128723668995353E-03 0.000000000000000E+00
|
|
z1= 3 0.122027158859712E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000250)=0.000000000000000E+00
|
|
(calc=0.125503639309223E+02 read=0.125503639309223E+02)
|
|
Weight for this step=0.17818E+00 -.62092E+01
|
|
beta (00000251)=0.125503639309223E+02
|
|
gamma(00000251)=0.125503639309223E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 251
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000251)=0.000000000000000E+00
|
|
(calc=0.132840536605146E+02 read=0.132840536605146E+02)
|
|
Weight for this step=-.18592E+00 0.53400E+01
|
|
beta (00000252)=0.132840536605146E+02
|
|
gamma(00000252)=0.132840536605146E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 252
|
|
z1= 1 -.129200003281269E-05 0.000000000000000E+00
|
|
z1= 2 -.179188200957442E-03 0.000000000000000E+00
|
|
z1= 3 -.121041605506209E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000252)=0.000000000000000E+00
|
|
(calc=0.129336423167541E+02 read=0.129336423167541E+02)
|
|
Weight for this step=-.17791E+00 0.61294E+01
|
|
beta (00000253)=0.129336423167541E+02
|
|
gamma(00000253)=0.129336423167541E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 253
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000253)=0.000000000000000E+00
|
|
(calc=0.135149120536037E+02 read=0.135149120536037E+02)
|
|
Weight for this step=0.18148E+00 -.51744E+01
|
|
beta (00000254)=0.135149120536037E+02
|
|
gamma(00000254)=0.135149120536037E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 254
|
|
z1= 1 0.133250890047357E-05 0.000000000000000E+00
|
|
z1= 2 0.150891868853606E-03 0.000000000000000E+00
|
|
z1= 3 0.120199219873041E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000254)=0.000000000000000E+00
|
|
(calc=0.128019307932415E+02 read=0.128019307932415E+02)
|
|
Weight for this step=0.17943E+00 -.61164E+01
|
|
beta (00000255)=0.128019307932415E+02
|
|
gamma(00000255)=0.128019307932415E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 255
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000255)=0.000000000000000E+00
|
|
(calc=0.136716697142721E+02 read=0.136716697142721E+02)
|
|
Weight for this step=-.18194E+00 0.51499E+01
|
|
beta (00000256)=0.136716697142721E+02
|
|
gamma(00000256)=0.136716697142721E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 256
|
|
z1= 1 -.132757292687757E-05 0.000000000000000E+00
|
|
z1= 2 -.136956715164454E-03 0.000000000000000E+00
|
|
z1= 3 -.118568979223982E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000256)=0.000000000000000E+00
|
|
(calc=0.128300179995846E+02 read=0.128300179995846E+02)
|
|
Weight for this step=-.17710E+00 0.59739E+01
|
|
beta (00000257)=0.128300179995846E+02
|
|
gamma(00000257)=0.128300179995846E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 257
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000257)=0.000000000000000E+00
|
|
(calc=0.134221774427154E+02 read=0.134221774427154E+02)
|
|
Weight for this step=0.18437E+00 -.51829E+01
|
|
beta (00000258)=0.134221774427154E+02
|
|
gamma(00000258)=0.134221774427154E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 258
|
|
z1= 1 0.134506323670215E-05 0.000000000000000E+00
|
|
z1= 2 0.138198170213344E-03 0.000000000000000E+00
|
|
z1= 3 0.117713097896936E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000258)=0.000000000000000E+00
|
|
(calc=0.130324445508445E+02 read=0.130324445508445E+02)
|
|
Weight for this step=0.17867E+00 -.59631E+01
|
|
beta (00000259)=0.130324445508445E+02
|
|
gamma(00000259)=0.130324445508445E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 259
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000259)=0.000000000000000E+00
|
|
(calc=0.135340607670088E+02 read=0.135340607670088E+02)
|
|
Weight for this step=-.18045E+00 0.50384E+01
|
|
beta (00000260)=0.135340607670088E+02
|
|
gamma(00000260)=0.135340607670088E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 260
|
|
z1= 1 -.136541362963892E-05 0.000000000000000E+00
|
|
z1= 2 -.927659958290012E-04 0.000000000000000E+00
|
|
z1= 3 -.117533193323336E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000260)=0.000000000000000E+00
|
|
(calc=0.127717086264339E+02 read=0.127717086264339E+02)
|
|
Weight for this step=-.18114E+00 0.59857E+01
|
|
beta (00000261)=0.127717086264339E+02
|
|
gamma(00000261)=0.127717086264339E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 261
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000261)=0.000000000000000E+00
|
|
(calc=0.133221274138509E+02 read=0.133221274138509E+02)
|
|
Weight for this step=0.18147E+00 -.50324E+01
|
|
beta (00000262)=0.133221274138509E+02
|
|
gamma(00000262)=0.133221274138509E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 262
|
|
z1= 1 0.139452693070224E-05 0.000000000000000E+00
|
|
z1= 2 0.478562283870339E-04 0.000000000000000E+00
|
|
z1= 3 0.114098830172424E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000262)=0.000000000000000E+00
|
|
(calc=0.126369388269677E+02 read=0.126369388269677E+02)
|
|
Weight for this step=0.18295E+00 -.59857E+01
|
|
beta (00000263)=0.126369388269677E+02
|
|
gamma(00000263)=0.126369388269677E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 263
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000263)=0.000000000000000E+00
|
|
(calc=0.132587154934946E+02 read=0.132587154934946E+02)
|
|
Weight for this step=-.18136E+00 0.49952E+01
|
|
beta (00000264)=0.132587154934946E+02
|
|
gamma(00000264)=0.132587154934946E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 264
|
|
z1= 1 -.141372522817138E-05 0.000000000000000E+00
|
|
z1= 2 -.453434143991589E-05 0.000000000000000E+00
|
|
z1= 3 -.111464317330547E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000264)=0.000000000000000E+00
|
|
(calc=0.127327472975876E+02 read=0.127327472975876E+02)
|
|
Weight for this step=-.18371E+00 0.59516E+01
|
|
beta (00000265)=0.127327472975876E+02
|
|
gamma(00000265)=0.127327472975876E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 265
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000265)=0.000000000000000E+00
|
|
(calc=0.134480098373093E+02 read=0.134480098373093E+02)
|
|
Weight for this step=0.17894E+00 -.48956E+01
|
|
beta (00000266)=0.134480098373093E+02
|
|
gamma(00000266)=0.134480098373093E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 266
|
|
z1= 1 0.143363440780787E-05 0.000000000000000E+00
|
|
z1= 2 0.646035586818325E-05 0.000000000000000E+00
|
|
z1= 3 0.107596559581587E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000266)=0.000000000000000E+00
|
|
(calc=0.127991051512289E+02 read=0.127991051512289E+02)
|
|
Weight for this step=0.18301E+00 -.58733E+01
|
|
beta (00000267)=0.127991051512289E+02
|
|
gamma(00000267)=0.127991051512289E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 267
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000267)=0.000000000000000E+00
|
|
(calc=0.133509673563405E+02 read=0.133509673563405E+02)
|
|
Weight for this step=-.17819E+00 0.48434E+01
|
|
beta (00000268)=0.133509673563405E+02
|
|
gamma(00000268)=0.133509673563405E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 268
|
|
z1= 1 -.147477075616853E-05 0.000000000000000E+00
|
|
z1= 2 -.567036348870821E-04 0.000000000000000E+00
|
|
z1= 3 -.105059387456359E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000268)=0.000000000000000E+00
|
|
(calc=0.126159938745077E+02 read=0.126159938745077E+02)
|
|
Weight for this step=-.18454E+00 0.58680E+01
|
|
beta (00000269)=0.126159938745077E+02
|
|
gamma(00000269)=0.126159938745077E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 269
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000269)=0.000000000000000E+00
|
|
(calc=0.135207226860741E+02 read=0.135207226860741E+02)
|
|
Weight for this step=0.17854E+00 -.48211E+01
|
|
beta (00000270)=0.135207226860741E+02
|
|
gamma(00000270)=0.135207226860741E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 270
|
|
z1= 1 0.147446732578875E-05 0.000000000000000E+00
|
|
z1= 2 0.127098384020150E-03 0.000000000000000E+00
|
|
z1= 3 0.978920613154729E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000270)=0.000000000000000E+00
|
|
(calc=0.130324169214886E+02 read=0.130324169214886E+02)
|
|
Weight for this step=0.18120E+00 -.57088E+01
|
|
beta (00000271)=0.130324169214886E+02
|
|
gamma(00000271)=0.130324169214886E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 271
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000271)=0.000000000000000E+00
|
|
(calc=0.132956033037527E+02 read=0.132956033037527E+02)
|
|
Weight for this step=-.17569E+00 0.47150E+01
|
|
beta (00000272)=0.132956033037527E+02
|
|
gamma(00000272)=0.132956033037527E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 272
|
|
z1= 1 -.155406102009779E-05 0.000000000000000E+00
|
|
z1= 2 -.191682755721671E-03 0.000000000000000E+00
|
|
z1= 3 -.965263491526465E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000272)=0.000000000000000E+00
|
|
(calc=0.127269485223252E+02 read=0.127269485223252E+02)
|
|
Weight for this step=-.18661E+00 0.58279E+01
|
|
beta (00000273)=0.127269485223252E+02
|
|
gamma(00000273)=0.127269485223252E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 273
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000273)=0.000000000000000E+00
|
|
(calc=0.134985187746427E+02 read=0.134985187746427E+02)
|
|
Weight for this step=0.17348E+00 -.46260E+01
|
|
beta (00000274)=0.134985187746427E+02
|
|
gamma(00000274)=0.134985187746427E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 274
|
|
z1= 1 0.157806974653008E-05 0.000000000000000E+00
|
|
z1= 2 0.170281401654718E-03 0.000000000000000E+00
|
|
z1= 3 0.892795715572213E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000274)=0.000000000000000E+00
|
|
(calc=0.128622195341415E+02 read=0.128622195341415E+02)
|
|
Weight for this step=0.18470E+00 -.57191E+01
|
|
beta (00000275)=0.128622195341415E+02
|
|
gamma(00000275)=0.128622195341415E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 275
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000275)=0.000000000000000E+00
|
|
(calc=0.137440404561413E+02 read=0.137440404561413E+02)
|
|
Weight for this step=-.17222E+00 0.45638E+01
|
|
beta (00000276)=0.137440404561413E+02
|
|
gamma(00000276)=0.137440404561413E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 276
|
|
z1= 1 -.157822361084373E-05 0.000000000000000E+00
|
|
z1= 2 -.142696395629180E-03 0.000000000000000E+00
|
|
z1= 3 -.823101514791150E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000276)=0.000000000000000E+00
|
|
(calc=0.127464610376212E+02 read=0.127464610376212E+02)
|
|
Weight for this step=-.18139E+00 0.55695E+01
|
|
beta (00000277)=0.127464610376212E+02
|
|
gamma(00000277)=0.127464610376212E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 277
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000277)=0.000000000000000E+00
|
|
(calc=0.131863605069894E+02 read=0.131863605069894E+02)
|
|
Weight for this step=0.17594E+00 -.46349E+01
|
|
beta (00000278)=0.131863605069894E+02
|
|
gamma(00000278)=0.131863605069894E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 278
|
|
z1= 1 0.163462003272691E-05 0.000000000000000E+00
|
|
z1= 2 0.109513420053133E-03 0.000000000000000E+00
|
|
z1= 3 0.771098534453542E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000278)=0.000000000000000E+00
|
|
(calc=0.125348490709038E+02 read=0.125348490709038E+02)
|
|
Weight for this step=0.18442E+00 -.56138E+01
|
|
beta (00000279)=0.125348490709038E+02
|
|
gamma(00000279)=0.125348490709038E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 279
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000279)=0.000000000000000E+00
|
|
(calc=0.133613109230864E+02 read=0.133613109230864E+02)
|
|
Weight for this step=-.17501E+00 0.45827E+01
|
|
beta (00000280)=0.133613109230864E+02
|
|
gamma(00000280)=0.133613109230864E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 280
|
|
z1= 1 -.163670117016637E-05 0.000000000000000E+00
|
|
z1= 2 -.759403689261102E-04 0.000000000000000E+00
|
|
z1= 3 -.703836548087051E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000280)=0.000000000000000E+00
|
|
(calc=0.128734600323008E+02 read=0.128734600323008E+02)
|
|
Weight for this step=-.18193E+00 0.54910E+01
|
|
beta (00000281)=0.128734600323008E+02
|
|
gamma(00000281)=0.128734600323008E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 281
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000281)=0.000000000000000E+00
|
|
(calc=0.132961402939048E+02 read=0.132961402939048E+02)
|
|
Weight for this step=0.17196E+00 -.44772E+01
|
|
beta (00000282)=0.132961402939048E+02
|
|
gamma(00000282)=0.132961402939048E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 282
|
|
z1= 1 0.168079154288202E-05 0.000000000000000E+00
|
|
z1= 2 0.275906530979196E-04 0.000000000000000E+00
|
|
z1= 3 0.647156618064975E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000282)=0.000000000000000E+00
|
|
(calc=0.125942929899832E+02 read=0.125942929899832E+02)
|
|
Weight for this step=0.18495E+00 -.55369E+01
|
|
beta (00000283)=0.125942929899832E+02
|
|
gamma(00000283)=0.125942929899832E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 283
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000283)=0.000000000000000E+00
|
|
(calc=0.132143407751469E+02 read=0.132143407751469E+02)
|
|
Weight for this step=-.17149E+00 0.44389E+01
|
|
beta (00000284)=0.132143407751469E+02
|
|
gamma(00000284)=0.132143407751469E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 284
|
|
z1= 1 -.169448906673329E-05 0.000000000000000E+00
|
|
z1= 2 0.583852729084218E-04 0.000000000000000E+00
|
|
z1= 3 -.574042646509139E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000284)=0.000000000000000E+00
|
|
(calc=0.126628073134760E+02 read=0.126628073134760E+02)
|
|
Weight for this step=-.18510E+00 0.54970E+01
|
|
beta (00000285)=0.126628073134760E+02
|
|
gamma(00000285)=0.126628073134760E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 285
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000285)=0.000000000000000E+00
|
|
(calc=0.134122137893592E+02 read=0.134122137893592E+02)
|
|
Weight for this step=0.16896E+00 -.43481E+01
|
|
beta (00000286)=0.134122137893592E+02
|
|
gamma(00000286)=0.134122137893592E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 286
|
|
z1= 1 0.168271216367116E-05 0.000000000000000E+00
|
|
z1= 2 -.190995220040017E-03 0.000000000000000E+00
|
|
z1= 3 0.504200556868388E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000286)=0.000000000000000E+00
|
|
(calc=0.126240008132624E+02 read=0.126240008132624E+02)
|
|
Weight for this step=0.18333E+00 -.54020E+01
|
|
beta (00000287)=0.126240008132624E+02
|
|
gamma(00000287)=0.126240008132624E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 287
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000287)=0.000000000000000E+00
|
|
(calc=0.130876656076923E+02 read=0.130876656076923E+02)
|
|
Weight for this step=-.16958E+00 0.43395E+01
|
|
beta (00000288)=0.130876656076923E+02
|
|
gamma(00000288)=0.130876656076923E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 288
|
|
z1= 1 -.171015535151055E-05 0.000000000000000E+00
|
|
z1= 2 0.349756716119525E-03 0.000000000000000E+00
|
|
z1= 3 -.414278006011671E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000288)=0.000000000000000E+00
|
|
(calc=0.127646911703897E+02 read=0.127646911703897E+02)
|
|
Weight for this step=-.18565E+00 0.54277E+01
|
|
beta (00000289)=0.127646911703897E+02
|
|
gamma(00000289)=0.127646911703897E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 289
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000289)=0.000000000000000E+00
|
|
(calc=0.134266750564664E+02 read=0.134266750564664E+02)
|
|
Weight for this step=0.16392E+00 -.41709E+01
|
|
beta (00000290)=0.134266750564664E+02
|
|
gamma(00000290)=0.134266750564664E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 290
|
|
z1= 1 0.170229660603587E-05 0.000000000000000E+00
|
|
z1= 2 -.501289372105538E-03 0.000000000000000E+00
|
|
z1= 3 0.344846806925791E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000290)=0.000000000000000E+00
|
|
(calc=0.127607117392204E+02 read=0.127607117392204E+02)
|
|
Weight for this step=0.18480E+00 -.53634E+01
|
|
beta (00000291)=0.127607117392204E+02
|
|
gamma(00000291)=0.127607117392204E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 291
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000291)=0.000000000000000E+00
|
|
(calc=0.131977186799303E+02 read=0.131977186799303E+02)
|
|
Weight for this step=-.16257E+00 0.41135E+01
|
|
beta (00000292)=0.131977186799303E+02
|
|
gamma(00000292)=0.131977186799303E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 292
|
|
z1= 1 -.172943583259203E-05 0.000000000000000E+00
|
|
z1= 2 0.625416105519390E-03 0.000000000000000E+00
|
|
z1= 3 -.251729362575891E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000292)=0.000000000000000E+00
|
|
(calc=0.126412198962739E+02 read=0.126412198962739E+02)
|
|
Weight for this step=-.18705E+00 0.53898E+01
|
|
beta (00000293)=0.126412198962739E+02
|
|
gamma(00000293)=0.126412198962739E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 293
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000293)=0.000000000000000E+00
|
|
(calc=0.135269357693572E+02 read=0.135269357693572E+02)
|
|
Weight for this step=0.15962E+00 -.40155E+01
|
|
beta (00000294)=0.135269357693572E+02
|
|
gamma(00000294)=0.135269357693572E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 294
|
|
z1= 1 0.167999638988735E-05 0.000000000000000E+00
|
|
z1= 2 -.725936229533813E-03 0.000000000000000E+00
|
|
z1= 3 0.198791221524877E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000294)=0.000000000000000E+00
|
|
(calc=0.129785112100049E+02 read=0.129785112100049E+02)
|
|
Weight for this step=0.18283E+00 -.52312E+01
|
|
beta (00000295)=0.129785112100049E+02
|
|
gamma(00000295)=0.129785112100049E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 295
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000295)=0.000000000000000E+00
|
|
(calc=0.135622829076972E+02 read=0.135622829076972E+02)
|
|
Weight for this step=-.15674E+00 0.39213E+01
|
|
beta (00000296)=0.135622829076972E+02
|
|
gamma(00000296)=0.135622829076972E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 296
|
|
z1= 1 -.168504424678893E-05 0.000000000000000E+00
|
|
z1= 2 0.768704596292417E-03 0.000000000000000E+00
|
|
z1= 3 -.129597021937230E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000296)=0.000000000000000E+00
|
|
(calc=0.127907392600332E+02 read=0.127907392600332E+02)
|
|
Weight for this step=-.18281E+00 0.51953E+01
|
|
beta (00000297)=0.127907392600332E+02
|
|
gamma(00000297)=0.127907392600332E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 297
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000297)=0.000000000000000E+00
|
|
(calc=0.133436976241761E+02 read=0.133436976241761E+02)
|
|
Weight for this step=0.15643E+00 -.38920E+01
|
|
beta (00000298)=0.133436976241761E+02
|
|
gamma(00000298)=0.133436976241761E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 298
|
|
z1= 1 0.167961549451656E-05 0.000000000000000E+00
|
|
z1= 2 -.707544265171190E-03 0.000000000000000E+00
|
|
z1= 3 0.910713718204779E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000298)=0.000000000000000E+00
|
|
(calc=0.130107145637696E+02 read=0.130107145637696E+02)
|
|
Weight for this step=0.18320E+00 -.51709E+01
|
|
beta (00000299)=0.130107145637696E+02
|
|
gamma(00000299)=0.130107145637696E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 299
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000299)=0.000000000000000E+00
|
|
(calc=0.136889156185896E+02 read=0.136889156185896E+02)
|
|
Weight for this step=-.15082E+00 0.37315E+01
|
|
beta (00000300)=0.136889156185896E+02
|
|
gamma(00000300)=0.136889156185896E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 300
|
|
z1= 1 -.167450681560696E-05 0.000000000000000E+00
|
|
z1= 2 0.684645446394782E-03 0.000000000000000E+00
|
|
z1= 3 -.325547169062685E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000300)=0.000000000000000E+00
|
|
(calc=0.127325773352904E+02 read=0.127325773352904E+02)
|
|
Weight for this step=-.18161E+00 0.50932E+01
|
|
beta (00000301)=0.127325773352904E+02
|
|
gamma(00000301)=0.127325773352904E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 301
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000301)=0.000000000000000E+00
|
|
(calc=0.132014487848504E+02 read=0.132014487848504E+02)
|
|
Weight for this step=0.15241E+00 -.37499E+01
|
|
beta (00000302)=0.132014487848504E+02
|
|
gamma(00000302)=0.132014487848504E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 302
|
|
z1= 1 0.168245889043111E-05 0.000000000000000E+00
|
|
z1= 2 -.647272898753966E-03 0.000000000000000E+00
|
|
z1= 3 0.755107433796521E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000302)=0.000000000000000E+00
|
|
(calc=0.127870309133300E+02 read=0.127870309133300E+02)
|
|
Weight for this step=0.18300E+00 -.50982E+01
|
|
beta (00000303)=0.127870309133300E+02
|
|
gamma(00000303)=0.127870309133300E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 303
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000303)=0.000000000000000E+00
|
|
(calc=0.135647531490717E+02 read=0.135647531490717E+02)
|
|
Weight for this step=-.14759E+00 0.36104E+01
|
|
beta (00000304)=0.135647531490717E+02
|
|
gamma(00000304)=0.135647531490717E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 304
|
|
z1= 1 -.166716901492522E-05 0.000000000000000E+00
|
|
z1= 2 0.551175315352377E-03 0.000000000000000E+00
|
|
z1= 3 0.176471976389564E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000304)=0.000000000000000E+00
|
|
(calc=0.128308750491585E+02 read=0.128308750491585E+02)
|
|
Weight for this step=-.17990E+00 0.49801E+01
|
|
beta (00000305)=0.128308750491585E+02
|
|
gamma(00000305)=0.128308750491585E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 305
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000305)=0.000000000000000E+00
|
|
(calc=0.134495308588633E+02 read=0.134495308588633E+02)
|
|
Weight for this step=0.14646E+00 -.35629E+01
|
|
beta (00000306)=0.134495308588633E+02
|
|
gamma(00000306)=0.134495308588633E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 306
|
|
z1= 1 0.167531826631134E-05 0.000000000000000E+00
|
|
z1= 2 -.426463914298500E-03 0.000000000000000E+00
|
|
z1= 3 -.394053602761793E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000306)=0.000000000000000E+00
|
|
(calc=0.127987513860681E+02 read=0.127987513860681E+02)
|
|
Weight for this step=0.17902E+00 -.49244E+01
|
|
beta (00000307)=0.127987513860681E+02
|
|
gamma(00000307)=0.127987513860681E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 307
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000307)=0.000000000000000E+00
|
|
(calc=0.135696261752637E+02 read=0.135696261752637E+02)
|
|
Weight for this step=-.14437E+00 0.34922E+01
|
|
beta (00000308)=0.135696261752637E+02
|
|
gamma(00000308)=0.135696261752637E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 308
|
|
z1= 1 -.166929078432212E-05 0.000000000000000E+00
|
|
z1= 2 0.239660955568350E-03 0.000000000000000E+00
|
|
z1= 3 0.675470303518680E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000308)=0.000000000000000E+00
|
|
(calc=0.127885413404553E+02 read=0.127885413404553E+02)
|
|
Weight for this step=-.17607E+00 0.48131E+01
|
|
beta (00000309)=0.127885413404553E+02
|
|
gamma(00000309)=0.127885413404553E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 309
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000309)=0.000000000000000E+00
|
|
(calc=0.133077694844220E+02 read=0.133077694844220E+02)
|
|
Weight for this step=0.14380E+00 -.34591E+01
|
|
beta (00000310)=0.133077694844220E+02
|
|
gamma(00000310)=0.133077694844220E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 310
|
|
z1= 1 0.168443650944584E-05 0.000000000000000E+00
|
|
z1= 2 -.705070220550124E-04 0.000000000000000E+00
|
|
z1= 3 -.111919997692733E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000310)=0.000000000000000E+00
|
|
(calc=0.127286681926412E+02 read=0.127286681926412E+02)
|
|
Weight for this step=0.17653E+00 -.47955E+01
|
|
beta (00000311)=0.127286681926412E+02
|
|
gamma(00000311)=0.127286681926412E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 311
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000311)=0.000000000000000E+00
|
|
(calc=0.134430681708486E+02 read=0.134430681708486E+02)
|
|
Weight for this step=-.14088E+00 0.33699E+01
|
|
beta (00000312)=0.134430681708486E+02
|
|
gamma(00000312)=0.134430681708486E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 312
|
|
z1= 1 -.168672394563031E-05 0.000000000000000E+00
|
|
z1= 2 -.739757141366730E-04 0.000000000000000E+00
|
|
z1= 3 0.136203964960129E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000312)=0.000000000000000E+00
|
|
(calc=0.128578436259766E+02 read=0.128578436259766E+02)
|
|
Weight for this step=-.17426E+00 0.47047E+01
|
|
beta (00000313)=0.128578436259766E+02
|
|
gamma(00000313)=0.128578436259766E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 313
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000313)=0.000000000000000E+00
|
|
(calc=0.132261688765880E+02 read=0.132261688765880E+02)
|
|
Weight for this step=0.13806E+00 -.32838E+01
|
|
beta (00000314)=0.132261688765880E+02
|
|
gamma(00000314)=0.132261688765880E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 314
|
|
z1= 1 0.174613556417377E-05 0.000000000000000E+00
|
|
z1= 2 0.259139317874287E-03 0.000000000000000E+00
|
|
z1= 3 -.152148177303443E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000314)=0.000000000000000E+00
|
|
(calc=0.124474649642795E+02 read=0.124474649642795E+02)
|
|
Weight for this step=0.17649E+00 -.47362E+01
|
|
beta (00000315)=0.124474649642795E+02
|
|
gamma(00000315)=0.124474649642795E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 315
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000315)=0.000000000000000E+00
|
|
(calc=0.134572311191633E+02 read=0.134572311191633E+02)
|
|
Weight for this step=-.13703E+00 0.32402E+01
|
|
beta (00000316)=0.134572311191633E+02
|
|
gamma(00000316)=0.134572311191633E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 316
|
|
z1= 1 -.172060932114603E-05 0.000000000000000E+00
|
|
z1= 2 -.404046364644721E-03 0.000000000000000E+00
|
|
z1= 3 0.114035490731725E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000316)=0.000000000000000E+00
|
|
(calc=0.125627924292246E+02 read=0.125627924292246E+02)
|
|
Weight for this step=-.17015E+00 0.45384E+01
|
|
beta (00000317)=0.125627924292246E+02
|
|
gamma(00000317)=0.125627924292246E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 317
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000317)=0.000000000000000E+00
|
|
(calc=0.134454999593869E+02 read=0.134454999593869E+02)
|
|
Weight for this step=0.13756E+00 -.32344E+01
|
|
beta (00000318)=0.134454999593869E+02
|
|
gamma(00000318)=0.134454999593869E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 318
|
|
z1= 1 0.171096878992354E-05 0.000000000000000E+00
|
|
z1= 2 0.507490277590244E-03 0.000000000000000E+00
|
|
z1= 3 -.121091880290764E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000318)=0.000000000000000E+00
|
|
(calc=0.125691258390293E+02 read=0.125691258390293E+02)
|
|
Weight for this step=0.16592E+00 -.43980E+01
|
|
beta (00000319)=0.125691258390293E+02
|
|
gamma(00000319)=0.125691258390293E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 319
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000319)=0.000000000000000E+00
|
|
(calc=0.132683743555628E+02 read=0.132683743555628E+02)
|
|
Weight for this step=-.13816E+00 0.32309E+01
|
|
beta (00000320)=0.132683743555628E+02
|
|
gamma(00000320)=0.132683743555628E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 320
|
|
z1= 1 -.173510962716682E-05 0.000000000000000E+00
|
|
z1= 2 -.613741246854104E-03 0.000000000000000E+00
|
|
z1= 3 0.824301510115883E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000320)=0.000000000000000E+00
|
|
(calc=0.128768098339927E+02 read=0.128768098339927E+02)
|
|
Weight for this step=-.16424E+00 0.43256E+01
|
|
beta (00000321)=0.128768098339927E+02
|
|
gamma(00000321)=0.128768098339927E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 321
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000321)=0.000000000000000E+00
|
|
(calc=0.135396602572877E+02 read=0.135396602572877E+02)
|
|
Weight for this step=0.13368E+00 -.31092E+01
|
|
beta (00000322)=0.135396602572877E+02
|
|
gamma(00000322)=0.135396602572877E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 322
|
|
z1= 1 0.178309204377277E-05 0.000000000000000E+00
|
|
z1= 2 0.611567668819772E-03 0.000000000000000E+00
|
|
z1= 3 -.682260537335526E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000322)=0.000000000000000E+00
|
|
(calc=0.127480241353615E+02 read=0.127480241353615E+02)
|
|
Weight for this step=0.16289E+00 -.42641E+01
|
|
beta (00000323)=0.127480241353615E+02
|
|
gamma(00000323)=0.127480241353615E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 323
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000323)=0.000000000000000E+00
|
|
(calc=0.132686652253103E+02 read=0.132686652253103E+02)
|
|
Weight for this step=-.13328E+00 0.30834E+01
|
|
beta (00000324)=0.132686652253103E+02
|
|
gamma(00000324)=0.132686652253103E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 324
|
|
z1= 1 -.183059107428194E-05 0.000000000000000E+00
|
|
z1= 2 -.593337003143229E-03 0.000000000000000E+00
|
|
z1= 3 0.229762592052793E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000324)=0.000000000000000E+00
|
|
(calc=0.127942827515080E+02 read=0.127942827515080E+02)
|
|
Weight for this step=-.16330E+00 0.42489E+01
|
|
beta (00000325)=0.127942827515080E+02
|
|
gamma(00000325)=0.127942827515080E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 325
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000325)=0.000000000000000E+00
|
|
(calc=0.137027001426078E+02 read=0.137027001426078E+02)
|
|
Weight for this step=0.12953E+00 -.29803E+01
|
|
beta (00000326)=0.137027001426078E+02
|
|
gamma(00000326)=0.137027001426078E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 326
|
|
z1= 1 0.183481642014680E-05 0.000000000000000E+00
|
|
z1= 2 0.515227588434150E-03 0.000000000000000E+00
|
|
z1= 3 -.421668392662088E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000326)=0.000000000000000E+00
|
|
(calc=0.126562924908262E+02 read=0.126562924908262E+02)
|
|
Weight for this step=0.15888E+00 -.41096E+01
|
|
beta (00000327)=0.126562924908262E+02
|
|
gamma(00000327)=0.126562924908262E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 327
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000327)=0.000000000000000E+00
|
|
(calc=0.132710951464007E+02 read=0.132710951464007E+02)
|
|
Weight for this step=-.13170E+00 0.30142E+01
|
|
beta (00000328)=0.132710951464007E+02
|
|
gamma(00000328)=0.132710951464007E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 328
|
|
z1= 1 -.186609580259556E-05 0.000000000000000E+00
|
|
z1= 2 -.372280021037917E-03 0.000000000000000E+00
|
|
z1= 3 0.788269774215818E-09 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000328)=0.000000000000000E+00
|
|
(calc=0.128093971320915E+02 read=0.128093971320915E+02)
|
|
Weight for this step=-.15825E+00 0.40679E+01
|
|
beta (00000329)=0.128093971320915E+02
|
|
gamma(00000329)=0.128093971320915E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 329
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000329)=0.000000000000000E+00
|
|
(calc=0.136222209864970E+02 read=0.136222209864970E+02)
|
|
Weight for this step=0.12804E+00 -.29150E+01
|
|
beta (00000330)=0.136222209864970E+02
|
|
gamma(00000330)=0.136222209864970E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 330
|
|
z1= 1 0.188768260157802E-05 0.000000000000000E+00
|
|
z1= 2 0.204261523050335E-03 0.000000000000000E+00
|
|
z1= 3 -.616045428256421E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000330)=0.000000000000000E+00
|
|
(calc=0.126670241263200E+02 read=0.126670241263200E+02)
|
|
Weight for this step=0.15517E+00 -.39652E+01
|
|
beta (00000331)=0.126670241263200E+02
|
|
gamma(00000331)=0.126670241263200E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 331
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000331)=0.000000000000000E+00
|
|
(calc=0.133665205684371E+02 read=0.133665205684371E+02)
|
|
Weight for this step=-.12937E+00 0.29299E+01
|
|
beta (00000332)=0.133665205684371E+02
|
|
gamma(00000332)=0.133665205684371E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 332
|
|
z1= 1 -.191076385247686E-05 0.000000000000000E+00
|
|
z1= 2 0.521321095403419E-05 0.000000000000000E+00
|
|
z1= 3 -.369587469134817E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000332)=0.000000000000000E+00
|
|
(calc=0.128362196975157E+02 read=0.128362196975157E+02)
|
|
Weight for this step=-.15361E+00 0.39012E+01
|
|
beta (00000333)=0.128362196975157E+02
|
|
gamma(00000333)=0.128362196975157E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 333
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000333)=0.000000000000000E+00
|
|
(calc=0.134610345081187E+02 read=0.134610345081187E+02)
|
|
Weight for this step=0.12658E+00 -.28520E+01
|
|
beta (00000334)=0.134610345081187E+02
|
|
gamma(00000334)=0.134610345081187E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 334
|
|
z1= 1 0.196740617152118E-05 0.000000000000000E+00
|
|
z1= 2 -.149667990688938E-03 0.000000000000000E+00
|
|
z1= 3 0.390289648726460E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000334)=0.000000000000000E+00
|
|
(calc=0.124678181602357E+02 read=0.124678181602357E+02)
|
|
Weight for this step=0.15284E+00 -.38588E+01
|
|
beta (00000335)=0.124678181602357E+02
|
|
gamma(00000335)=0.124678181602357E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 335
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000335)=0.000000000000000E+00
|
|
(calc=0.130935907161810E+02 read=0.130935907161810E+02)
|
|
Weight for this step=-.12832E+00 0.28766E+01
|
|
beta (00000336)=0.130935907161810E+02
|
|
gamma(00000336)=0.130935907161810E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 336
|
|
z1= 1 -.201214556908979E-05 0.000000000000000E+00
|
|
z1= 2 0.268242964186641E-03 0.000000000000000E+00
|
|
z1= 3 -.107704328202563E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000336)=0.000000000000000E+00
|
|
(calc=0.129076750594721E+02 read=0.129076750594721E+02)
|
|
Weight for this step=-.15217E+00 0.38182E+01
|
|
beta (00000337)=0.129076750594721E+02
|
|
gamma(00000337)=0.129076750594721E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 337
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000337)=0.000000000000000E+00
|
|
(calc=0.135012873479254E+02 read=0.135012873479254E+02)
|
|
Weight for this step=0.12216E+00 -.27244E+01
|
|
beta (00000338)=0.135012873479254E+02
|
|
gamma(00000338)=0.135012873479254E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 338
|
|
z1= 1 0.207656199710006E-05 0.000000000000000E+00
|
|
z1= 2 -.430242704326196E-03 0.000000000000000E+00
|
|
z1= 3 0.125180376712715E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000338)=0.000000000000000E+00
|
|
(calc=0.126384590763615E+02 read=0.126384590763615E+02)
|
|
Weight for this step=0.15161E+00 -.37824E+01
|
|
beta (00000339)=0.126384590763615E+02
|
|
gamma(00000339)=0.126384590763615E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 339
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000339)=0.000000000000000E+00
|
|
(calc=0.132422079861262E+02 read=0.132422079861262E+02)
|
|
Weight for this step=-.12235E+00 0.27145E+01
|
|
beta (00000340)=0.132422079861262E+02
|
|
gamma(00000340)=0.132422079861262E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 340
|
|
z1= 1 -.212818595083427E-05 0.000000000000000E+00
|
|
z1= 2 0.595769954586347E-03 0.000000000000000E+00
|
|
z1= 3 -.184999855043348E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000340)=0.000000000000000E+00
|
|
(calc=0.126707129061398E+02 read=0.126707129061398E+02)
|
|
Weight for this step=-.15095E+00 0.37441E+01
|
|
beta (00000341)=0.126707129061398E+02
|
|
gamma(00000341)=0.126707129061398E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 341
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000341)=0.000000000000000E+00
|
|
(calc=0.136753605969909E+02 read=0.136753605969909E+02)
|
|
Weight for this step=0.11977E+00 -.26435E+01
|
|
beta (00000342)=0.136753605969909E+02
|
|
gamma(00000342)=0.136753605969909E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 342
|
|
z1= 1 0.211864933039301E-05 0.000000000000000E+00
|
|
z1= 2 -.712254604936116E-03 0.000000000000000E+00
|
|
z1= 3 0.178232005117765E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000342)=0.000000000000000E+00
|
|
(calc=0.127943552503819E+02 read=0.127943552503819E+02)
|
|
Weight for this step=0.14579E+00 -.35956E+01
|
|
beta (00000343)=0.127943552503819E+02
|
|
gamma(00000343)=0.127943552503819E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 343
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000343)=0.000000000000000E+00
|
|
(calc=0.135431231585370E+02 read=0.135431231585370E+02)
|
|
Weight for this step=-.12028E+00 0.26416E+01
|
|
beta (00000344)=0.135431231585370E+02
|
|
gamma(00000344)=0.135431231585370E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 344
|
|
z1= 1 -.212355215422049E-05 0.000000000000000E+00
|
|
z1= 2 0.857918071920317E-03 0.000000000000000E+00
|
|
z1= 3 -.216152375186293E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000344)=0.000000000000000E+00
|
|
(calc=0.129527963646180E+02 read=0.129527963646180E+02)
|
|
Weight for this step=-.14373E+00 0.35245E+01
|
|
beta (00000345)=0.129527963646180E+02
|
|
gamma(00000345)=0.129527963646180E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 345
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000345)=0.000000000000000E+00
|
|
(calc=0.134551263461387E+02 read=0.134551263461387E+02)
|
|
Weight for this step=0.11823E+00 -.25839E+01
|
|
beta (00000346)=0.134551263461387E+02
|
|
gamma(00000346)=0.134551263461387E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 346
|
|
z1= 1 0.220132946146534E-05 0.000000000000000E+00
|
|
z1= 2 -.104511270130339E-02 0.000000000000000E+00
|
|
z1= 3 0.223251783271845E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000346)=0.000000000000000E+00
|
|
(calc=0.125651941790397E+02 read=0.125651941790397E+02)
|
|
Weight for this step=0.14431E+00 -.35186E+01
|
|
beta (00000347)=0.125651941790397E+02
|
|
gamma(00000347)=0.125651941790397E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 347
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000347)=0.000000000000000E+00
|
|
(calc=0.134783867418469E+02 read=0.134783867418469E+02)
|
|
Weight for this step=-.11880E+00 0.25836E+01
|
|
beta (00000348)=0.134783867418469E+02
|
|
gamma(00000348)=0.134783867418469E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 348
|
|
z1= 1 -.219130057782860E-05 0.000000000000000E+00
|
|
z1= 2 0.116944914391981E-02 0.000000000000000E+00
|
|
z1= 3 -.258590269266675E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000348)=0.000000000000000E+00
|
|
(calc=0.129739928957293E+02 read=0.129739928957293E+02)
|
|
Weight for this step=-.14050E+00 0.34056E+01
|
|
beta (00000349)=0.129739928957293E+02
|
|
gamma(00000349)=0.129739928957293E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 349
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000349)=0.000000000000000E+00
|
|
(calc=0.134297684082514E+02 read=0.134297684082514E+02)
|
|
Weight for this step=0.11607E+00 -.25122E+01
|
|
beta (00000350)=0.134297684082514E+02
|
|
gamma(00000350)=0.134297684082514E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 350
|
|
z1= 1 0.225622133388781E-05 0.000000000000000E+00
|
|
z1= 2 -.135349710401532E-02 0.000000000000000E+00
|
|
z1= 3 0.256690869032900E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000350)=0.000000000000000E+00
|
|
(calc=0.125508355125286E+02 read=0.125508355125286E+02)
|
|
Weight for this step=0.14157E+00 -.34125E+01
|
|
beta (00000351)=0.125508355125286E+02
|
|
gamma(00000351)=0.125508355125286E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 351
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000351)=0.000000000000000E+00
|
|
(calc=0.134338435878174E+02 read=0.134338435878174E+02)
|
|
Weight for this step=-.11654E+00 0.25102E+01
|
|
beta (00000352)=0.134338435878174E+02
|
|
gamma(00000352)=0.134338435878174E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 352
|
|
z1= 1 -.223607626077989E-05 0.000000000000000E+00
|
|
z1= 2 0.143555684430277E-02 0.000000000000000E+00
|
|
z1= 3 -.266258456721100E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000352)=0.000000000000000E+00
|
|
(calc=0.129530910448955E+02 read=0.129530910448955E+02)
|
|
Weight for this step=-.13813E+00 0.33105E+01
|
|
beta (00000353)=0.129530910448955E+02
|
|
gamma(00000353)=0.129530910448955E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 353
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000353)=0.000000000000000E+00
|
|
(calc=0.132873602007166E+02 read=0.132873602007166E+02)
|
|
Weight for this step=0.11363E+00 -.24361E+01
|
|
beta (00000354)=0.132873602007166E+02
|
|
gamma(00000354)=0.132873602007166E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 354
|
|
z1= 1 0.233853340717016E-05 0.000000000000000E+00
|
|
z1= 2 -.157566180946363E-02 0.000000000000000E+00
|
|
z1= 3 0.265867415534093E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000354)=0.000000000000000E+00
|
|
(calc=0.124749176641733E+02 read=0.124749176641733E+02)
|
|
Weight for this step=0.14044E+00 -.33472E+01
|
|
beta (00000355)=0.124749176641733E+02
|
|
gamma(00000355)=0.124749176641733E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 355
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000355)=0.000000000000000E+00
|
|
(calc=0.136129860611111E+02 read=0.136129860611111E+02)
|
|
Weight for this step=-.11339E+00 0.24191E+01
|
|
beta (00000356)=0.136129860611111E+02
|
|
gamma(00000356)=0.136129860611111E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 356
|
|
z1= 1 -.227876627792445E-05 0.000000000000000E+00
|
|
z1= 2 0.166796377892423E-02 0.000000000000000E+00
|
|
z1= 3 -.263219235247382E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000356)=0.000000000000000E+00
|
|
(calc=0.128740530104588E+02 read=0.128740530104588E+02)
|
|
Weight for this step=-.13433E+00 0.31837E+01
|
|
beta (00000357)=0.128740530104588E+02
|
|
gamma(00000357)=0.128740530104588E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 357
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000357)=0.000000000000000E+00
|
|
(calc=0.136854147256959E+02 read=0.136854147256959E+02)
|
|
Weight for this step=0.11282E+00 -.23961E+01
|
|
beta (00000358)=0.136854147256959E+02
|
|
gamma(00000358)=0.136854147256959E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 358
|
|
z1= 1 0.230670364926612E-05 0.000000000000000E+00
|
|
z1= 2 -.178720334654294E-02 0.000000000000000E+00
|
|
z1= 3 0.261888233401669E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000358)=0.000000000000000E+00
|
|
(calc=0.126594224871377E+02 read=0.126594224871377E+02)
|
|
Weight for this step=0.13194E+00 -.31096E+01
|
|
beta (00000359)=0.126594224871377E+02
|
|
gamma(00000359)=0.126594224871377E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 359
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000359)=0.000000000000000E+00
|
|
(calc=0.138515722109383E+02 read=0.138515722109383E+02)
|
|
Weight for this step=-.11490E+00 0.24295E+01
|
|
beta (00000360)=0.138515722109383E+02
|
|
gamma(00000360)=0.138515722109383E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 360
|
|
z1= 1 -.227569845869750E-05 0.000000000000000E+00
|
|
z1= 2 0.183607400319989E-02 0.000000000000000E+00
|
|
z1= 3 -.248016316406154E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000360)=0.000000000000000E+00
|
|
(calc=0.124128294396756E+02 read=0.124128294396756E+02)
|
|
Weight for this step=-.12619E+00 0.29567E+01
|
|
beta (00000361)=0.124128294396756E+02
|
|
gamma(00000361)=0.124128294396756E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 361
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000361)=0.000000000000000E+00
|
|
(calc=0.134327987811526E+02 read=0.134327987811526E+02)
|
|
Weight for this step=0.12133E+00 -.25551E+01
|
|
beta (00000362)=0.134327987811526E+02
|
|
gamma(00000362)=0.134327987811526E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 362
|
|
z1= 1 0.230707949244301E-05 0.000000000000000E+00
|
|
z1= 2 -.191584878387537E-02 0.000000000000000E+00
|
|
z1= 3 0.262247996275552E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000362)=0.000000000000000E+00
|
|
(calc=0.128797661687270E+02 read=0.128797661687270E+02)
|
|
Weight for this step=0.12271E+00 -.28567E+01
|
|
beta (00000363)=0.128797661687270E+02
|
|
gamma(00000363)=0.128797661687270E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 363
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000363)=0.000000000000000E+00
|
|
(calc=0.135103422048673E+02 read=0.135103422048673E+02)
|
|
Weight for this step=-.12008E+00 0.25197E+01
|
|
beta (00000364)=0.135103422048673E+02
|
|
gamma(00000364)=0.135103422048673E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 364
|
|
z1= 1 -.240656608974273E-05 0.000000000000000E+00
|
|
z1= 2 0.201944678404543E-02 0.000000000000000E+00
|
|
z1= 3 -.247077090699384E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000364)=0.000000000000000E+00
|
|
(calc=0.122994636981778E+02 read=0.122994636981778E+02)
|
|
Weight for this step=-.12298E+00 0.28455E+01
|
|
beta (00000365)=0.122994636981778E+02
|
|
gamma(00000365)=0.122994636981778E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 365
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000365)=0.000000000000000E+00
|
|
(calc=0.129062913945586E+02 read=0.129062913945586E+02)
|
|
Weight for this step=0.12512E+00 -.26163E+01
|
|
beta (00000366)=0.129062913945586E+02
|
|
gamma(00000366)=0.129062913945586E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 366
|
|
z1= 1 0.252453145578937E-05 0.000000000000000E+00
|
|
z1= 2 -.211652331959299E-02 0.000000000000000E+00
|
|
z1= 3 0.272786362234226E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000366)=0.000000000000000E+00
|
|
(calc=0.127034680757071E+02 read=0.127034680757071E+02)
|
|
Weight for this step=0.12375E+00 -.28444E+01
|
|
beta (00000367)=0.127034680757071E+02
|
|
gamma(00000367)=0.127034680757071E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 367
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000367)=0.000000000000000E+00
|
|
(calc=0.134767166076625E+02 read=0.134767166076625E+02)
|
|
Weight for this step=-.12052E+00 0.25115E+01
|
|
beta (00000368)=0.134767166076625E+02
|
|
gamma(00000368)=0.134767166076625E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 368
|
|
z1= 1 -.259678725443840E-05 0.000000000000000E+00
|
|
z1= 2 0.215018172107982E-02 0.000000000000000E+00
|
|
z1= 3 -.231482439604547E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000368)=0.000000000000000E+00
|
|
(calc=0.125626721130143E+02 read=0.125626721130143E+02)
|
|
Weight for this step=-.12269E+00 0.28032E+01
|
|
beta (00000369)=0.125626721130143E+02
|
|
gamma(00000369)=0.125626721130143E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 369
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000369)=0.000000000000000E+00
|
|
(calc=0.133692926302659E+02 read=0.133692926302659E+02)
|
|
Weight for this step=0.12267E+00 -.25482E+01
|
|
beta (00000370)=0.133692926302659E+02
|
|
gamma(00000370)=0.133692926302659E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 370
|
|
z1= 1 0.264599542601322E-05 0.000000000000000E+00
|
|
z1= 2 -.212542108382922E-02 0.000000000000000E+00
|
|
z1= 3 0.249756781202772E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000370)=0.000000000000000E+00
|
|
(calc=0.128827401390957E+02 read=0.128827401390957E+02)
|
|
Weight for this step=0.12149E+00 -.27588E+01
|
|
beta (00000371)=0.128827401390957E+02
|
|
gamma(00000371)=0.128827401390957E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 371
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000371)=0.000000000000000E+00
|
|
(calc=0.133106920710818E+02 read=0.133106920710818E+02)
|
|
Weight for this step=-.12092E+00 0.25043E+01
|
|
beta (00000372)=0.133106920710818E+02
|
|
gamma(00000372)=0.133106920710818E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 372
|
|
z1= 1 -.278183490293529E-05 0.000000000000000E+00
|
|
z1= 2 0.214723595642328E-02 0.000000000000000E+00
|
|
z1= 3 -.187988392705263E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000372)=0.000000000000000E+00
|
|
(calc=0.128999364065571E+02 read=0.128999364065571E+02)
|
|
Weight for this step=-.12371E+00 0.27932E+01
|
|
beta (00000373)=0.128999364065571E+02
|
|
gamma(00000373)=0.128999364065571E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 373
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000373)=0.000000000000000E+00
|
|
(calc=0.136448690011519E+02 read=0.136448690011519E+02)
|
|
Weight for this step=0.11827E+00 -.24423E+01
|
|
beta (00000374)=0.136448690011519E+02
|
|
gamma(00000374)=0.136448690011519E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 374
|
|
z1= 1 0.283231471173272E-05 0.000000000000000E+00
|
|
z1= 2 -.207157533018765E-02 0.000000000000000E+00
|
|
z1= 3 0.217953873970101E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000374)=0.000000000000000E+00
|
|
(calc=0.128456592932389E+02 read=0.128456592932389E+02)
|
|
Weight for this step=0.12281E+00 -.27579E+01
|
|
beta (00000375)=0.128456592932389E+02
|
|
gamma(00000375)=0.128456592932389E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 375
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000375)=0.000000000000000E+00
|
|
(calc=0.131827349382898E+02 read=0.131827349382898E+02)
|
|
Weight for this step=-.11916E+00 0.24537E+01
|
|
beta (00000376)=0.131827349382898E+02
|
|
gamma(00000376)=0.131827349382898E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 376
|
|
z1= 1 -.299477888095201E-05 0.000000000000000E+00
|
|
z1= 2 0.196862133418563E-02 0.000000000000000E+00
|
|
z1= 3 -.143923398642030E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000376)=0.000000000000000E+00
|
|
(calc=0.130315379073753E+02 read=0.130315379073753E+02)
|
|
Weight for this step=-.12578E+00 0.28092E+01
|
|
beta (00000377)=0.130315379073753E+02
|
|
gamma(00000377)=0.130315379073753E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 377
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000377)=0.000000000000000E+00
|
|
(calc=0.135748797619598E+02 read=0.135748797619598E+02)
|
|
Weight for this step=0.11401E+00 -.23411E+01
|
|
beta (00000378)=0.135748797619598E+02
|
|
gamma(00000378)=0.135748797619598E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 378
|
|
z1= 1 0.308435105055710E-05 0.000000000000000E+00
|
|
z1= 2 -.176136379800871E-02 0.000000000000000E+00
|
|
z1= 3 0.184557142534660E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000378)=0.000000000000000E+00
|
|
(calc=0.125824290799668E+02 read=0.125824290799668E+02)
|
|
Weight for this step=0.12641E+00 -.28097E+01
|
|
beta (00000379)=0.125824290799668E+02
|
|
gamma(00000379)=0.125824290799668E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 379
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000379)=0.000000000000000E+00
|
|
(calc=0.133817908930390E+02 read=0.133817908930390E+02)
|
|
Weight for this step=-.11620E+00 0.23796E+01
|
|
beta (00000380)=0.133817908930390E+02
|
|
gamma(00000380)=0.133817908930390E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 380
|
|
z1= 1 -.315389547578216E-05 0.000000000000000E+00
|
|
z1= 2 0.147095341701263E-02 0.000000000000000E+00
|
|
z1= 3 -.101796245320266E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000380)=0.000000000000000E+00
|
|
(calc=0.131035175968836E+02 read=0.131035175968836E+02)
|
|
Weight for this step=-.12472E+00 0.27582E+01
|
|
beta (00000381)=0.131035175968836E+02
|
|
gamma(00000381)=0.131035175968836E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 381
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000381)=0.000000000000000E+00
|
|
(calc=0.134408300255023E+02 read=0.134408300255023E+02)
|
|
Weight for this step=0.11223E+00 -.22923E+01
|
|
beta (00000382)=0.134408300255023E+02
|
|
gamma(00000382)=0.134408300255023E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 382
|
|
z1= 1 0.328100634311695E-05 0.000000000000000E+00
|
|
z1= 2 -.127880371272743E-02 0.000000000000000E+00
|
|
z1= 3 0.112586862683695E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000382)=0.000000000000000E+00
|
|
(calc=0.129349610668463E+02 read=0.129349610668463E+02)
|
|
Weight for this step=0.12723E+00 -.28006E+01
|
|
beta (00000383)=0.129349610668463E+02
|
|
gamma(00000383)=0.129349610668463E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 383
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000383)=0.000000000000000E+00
|
|
(calc=0.134943500523714E+02 read=0.134943500523714E+02)
|
|
Weight for this step=-.10996E+00 0.22402E+01
|
|
beta (00000384)=0.134943500523714E+02
|
|
gamma(00000384)=0.134943500523714E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 384
|
|
z1= 1 -.337803690248287E-05 0.000000000000000E+00
|
|
z1= 2 0.111249936514956E-02 0.000000000000000E+00
|
|
z1= 3 -.229893305132313E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000384)=0.000000000000000E+00
|
|
(calc=0.126533026813928E+02 read=0.126533026813928E+02)
|
|
Weight for this step=-.12745E+00 0.27932E+01
|
|
beta (00000385)=0.126533026813928E+02
|
|
gamma(00000385)=0.126533026813928E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 385
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000385)=0.000000000000000E+00
|
|
(calc=0.130168904233344E+02 read=0.130168904233344E+02)
|
|
Weight for this step=0.11046E+00 -.22447E+01
|
|
beta (00000386)=0.130168904233344E+02
|
|
gamma(00000386)=0.130168904233344E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 386
|
|
z1= 1 0.349368086752493E-05 0.000000000000000E+00
|
|
z1= 2 -.969037679933059E-03 0.000000000000000E+00
|
|
z1= 3 -.289358134168368E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000386)=0.000000000000000E+00
|
|
(calc=0.129062729006450E+02 read=0.129062729006450E+02)
|
|
Weight for this step=0.12962E+00 -.28280E+01
|
|
beta (00000387)=0.129062729006450E+02
|
|
gamma(00000387)=0.129062729006450E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 387
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000387)=0.000000000000000E+00
|
|
(calc=0.133571597248837E+02 read=0.133571597248837E+02)
|
|
Weight for this step=-.10461E+00 0.21205E+01
|
|
beta (00000388)=0.133571597248837E+02
|
|
gamma(00000388)=0.133571597248837E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 388
|
|
z1= 1 -.357728884061055E-05 0.000000000000000E+00
|
|
z1= 2 0.840220090467947E-03 0.000000000000000E+00
|
|
z1= 3 0.106460529828074E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000388)=0.000000000000000E+00
|
|
(calc=0.125858317751283E+02 read=0.125858317751283E+02)
|
|
Weight for this step=-.13053E+00 0.28365E+01
|
|
beta (00000389)=0.125858317751283E+02
|
|
gamma(00000389)=0.125858317751283E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 389
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000389)=0.000000000000000E+00
|
|
(calc=0.134760429776503E+02 read=0.134760429776503E+02)
|
|
Weight for this step=0.10400E+00 -.21029E+01
|
|
beta (00000390)=0.134760429776503E+02
|
|
gamma(00000390)=0.134760429776503E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 390
|
|
z1= 1 0.351958657916459E-05 0.000000000000000E+00
|
|
z1= 2 -.731734077203564E-03 0.000000000000000E+00
|
|
z1= 3 -.172613846228755E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000390)=0.000000000000000E+00
|
|
(calc=0.129061712129303E+02 read=0.129061712129303E+02)
|
|
Weight for this step=0.12712E+00 -.27513E+01
|
|
beta (00000391)=0.129061712129303E+02
|
|
gamma(00000391)=0.129061712129303E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 391
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000391)=0.000000000000000E+00
|
|
(calc=0.131950581629851E+02 read=0.131950581629851E+02)
|
|
Weight for this step=-.10194E+00 0.20562E+01
|
|
beta (00000392)=0.131950581629851E+02
|
|
gamma(00000392)=0.131950581629851E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 392
|
|
z1= 1 -.362885608417175E-05 0.000000000000000E+00
|
|
z1= 2 0.745981531161233E-03 0.000000000000000E+00
|
|
z1= 3 0.273396605524073E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000392)=0.000000000000000E+00
|
|
(calc=0.126542812444308E+02 read=0.126542812444308E+02)
|
|
Weight for this step=-.12955E+00 0.27930E+01
|
|
beta (00000393)=0.126542812444308E+02
|
|
gamma(00000393)=0.126542812444308E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 393
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000393)=0.000000000000000E+00
|
|
(calc=0.133841499383001E+02 read=0.133841499383001E+02)
|
|
Weight for this step=0.99371E-01 -.19996E+01
|
|
beta (00000394)=0.133841499383001E+02
|
|
gamma(00000394)=0.133841499383001E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 394
|
|
z1= 1 0.359633796105305E-05 0.000000000000000E+00
|
|
z1= 2 -.723044751080653E-03 0.000000000000000E+00
|
|
z1= 3 -.339851680686450E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000394)=0.000000000000000E+00
|
|
(calc=0.126876730109873E+02 read=0.126876730109873E+02)
|
|
Weight for this step=0.12749E+00 -.27385E+01
|
|
beta (00000395)=0.126876730109873E+02
|
|
gamma(00000395)=0.126876730109873E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 395
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000395)=0.000000000000000E+00
|
|
(calc=0.132038045765396E+02 read=0.132038045765396E+02)
|
|
Weight for this step=-.98032E-01 0.19681E+01
|
|
beta (00000396)=0.132038045765396E+02
|
|
gamma(00000396)=0.132038045765396E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 396
|
|
z1= 1 -.363865379217126E-05 0.000000000000000E+00
|
|
z1= 2 0.634979313319250E-03 0.000000000000000E+00
|
|
z1= 3 0.417205462270305E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000396)=0.000000000000000E+00
|
|
(calc=0.127102581571091E+02 read=0.127102581571091E+02)
|
|
Weight for this step=-.12752E+00 0.27290E+01
|
|
beta (00000397)=0.127102581571091E+02
|
|
gamma(00000397)=0.127102581571091E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 397
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000397)=0.000000000000000E+00
|
|
(calc=0.131579818718247E+02 read=0.131579818718247E+02)
|
|
Weight for this step=0.95057E-01 -.19040E+01
|
|
beta (00000398)=0.131579818718247E+02
|
|
gamma(00000398)=0.131579818718247E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 398
|
|
z1= 1 0.367846567474748E-05 0.000000000000000E+00
|
|
z1= 2 -.431148517535196E-03 0.000000000000000E+00
|
|
z1= 3 -.502237059472627E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000398)=0.000000000000000E+00
|
|
(calc=0.126877604588753E+02 read=0.126877604588753E+02)
|
|
Weight for this step=0.12805E+00 -.27309E+01
|
|
beta (00000399)=0.126877604588753E+02
|
|
gamma(00000399)=0.126877604588753E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 399
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000399)=0.000000000000000E+00
|
|
(calc=0.136083939369632E+02 read=0.136083939369632E+02)
|
|
Weight for this step=-.91758E-01 0.18337E+01
|
|
beta (00000400)=0.136083939369632E+02
|
|
gamma(00000400)=0.136083939369632E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 400
|
|
z1= 1 -.359826032694625E-05 0.000000000000000E+00
|
|
z1= 2 0.190024910658445E-03 0.000000000000000E+00
|
|
z1= 3 0.526372064885901E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000400)=0.000000000000000E+00
|
|
(calc=0.128719373783732E+02 read=0.128719373783732E+02)
|
|
Weight for this step=-.12394E+00 0.26343E+01
|
|
beta (00000401)=0.128719373783732E+02
|
|
gamma(00000401)=0.128719373783732E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 401
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000401)=0.000000000000000E+00
|
|
(calc=0.132282577984509E+02 read=0.132282577984509E+02)
|
|
Weight for this step=0.90500E-01 -.18046E+01
|
|
beta (00000402)=0.132282577984509E+02
|
|
gamma(00000402)=0.132282577984509E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 402
|
|
z1= 1 0.365880150319207E-05 0.000000000000000E+00
|
|
z1= 2 0.834973158655473E-04 0.000000000000000E+00
|
|
z1= 3 -.611982304428037E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000402)=0.000000000000000E+00
|
|
(calc=0.129674358772304E+02 read=0.129674358772304E+02)
|
|
Weight for this step=0.12521E+00 -.26527E+01
|
|
beta (00000403)=0.129674358772304E+02
|
|
gamma(00000403)=0.129674358772304E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 403
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000403)=0.000000000000000E+00
|
|
(calc=0.133464196466581E+02 read=0.133464196466581E+02)
|
|
Weight for this step=-.85795E-01 0.17070E+01
|
|
beta (00000404)=0.133464196466581E+02
|
|
gamma(00000404)=0.133464196466581E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 404
|
|
z1= 1 -.371390583896614E-05 0.000000000000000E+00
|
|
z1= 2 -.280705032072587E-03 0.000000000000000E+00
|
|
z1= 3 0.650948769806902E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000404)=0.000000000000000E+00
|
|
(calc=0.126603062757557E+02 read=0.126603062757557E+02)
|
|
Weight for this step=-.12599E+00 0.26611E+01
|
|
beta (00000405)=0.126603062757557E+02
|
|
gamma(00000405)=0.126603062757557E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 405
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000405)=0.000000000000000E+00
|
|
(calc=0.135477412413881E+02 read=0.135477412413881E+02)
|
|
Weight for this step=0.83720E-01 -.16620E+01
|
|
beta (00000406)=0.135477412413881E+02
|
|
gamma(00000406)=0.135477412413881E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 406
|
|
z1= 1 0.361804831679278E-05 0.000000000000000E+00
|
|
z1= 2 0.445888240212498E-03 0.000000000000000E+00
|
|
z1= 3 -.679839227900889E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000406)=0.000000000000000E+00
|
|
(calc=0.127114666768916E+02 read=0.127114666768916E+02)
|
|
Weight for this step=0.12191E+00 -.25670E+01
|
|
beta (00000407)=0.127114666768916E+02
|
|
gamma(00000407)=0.127114666768916E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 407
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000407)=0.000000000000000E+00
|
|
(calc=0.130764904689422E+02 read=0.130764904689422E+02)
|
|
Weight for this step=-.82748E-01 0.16391E+01
|
|
beta (00000408)=0.130764904689422E+02
|
|
gamma(00000408)=0.130764904689422E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 408
|
|
z1= 1 -.368946997887079E-05 0.000000000000000E+00
|
|
z1= 2 -.686897950187320E-03 0.000000000000000E+00
|
|
z1= 3 0.679211198451534E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000408)=0.000000000000000E+00
|
|
(calc=0.129445408073245E+02 read=0.129445408073245E+02)
|
|
Weight for this step=-.12277E+00 0.25774E+01
|
|
beta (00000409)=0.129445408073245E+02
|
|
gamma(00000409)=0.129445408073245E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 409
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000409)=0.000000000000000E+00
|
|
(calc=0.133572063812707E+02 read=0.133572063812707E+02)
|
|
Weight for this step=0.77184E-01 -.15255E+01
|
|
beta (00000410)=0.133572063812707E+02
|
|
gamma(00000410)=0.133572063812707E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 410
|
|
z1= 1 0.374706036588342E-05 0.000000000000000E+00
|
|
z1= 2 0.927479634521243E-03 0.000000000000000E+00
|
|
z1= 3 -.731784780002339E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000410)=0.000000000000000E+00
|
|
(calc=0.128095650916903E+02 read=0.128095650916903E+02)
|
|
Weight for this step=0.12288E+00 -.25726E+01
|
|
beta (00000411)=0.128095650916903E+02
|
|
gamma(00000411)=0.128095650916903E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 411
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000411)=0.000000000000000E+00
|
|
(calc=0.138140886114727E+02 read=0.138140886114727E+02)
|
|
Weight for this step=-.74003E-01 0.14593E+01
|
|
beta (00000412)=0.138140886114727E+02
|
|
gamma(00000412)=0.138140886114727E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 412
|
|
z1= 1 -.363391926908041E-05 0.000000000000000E+00
|
|
z1= 2 -.106201188247809E-02 0.000000000000000E+00
|
|
z1= 3 0.697349372328075E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000412)=0.000000000000000E+00
|
|
(calc=0.124499131667514E+02 read=0.124499131667514E+02)
|
|
Weight for this step=-.11755E+00 0.24546E+01
|
|
beta (00000413)=0.124499131667514E+02
|
|
gamma(00000413)=0.124499131667514E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 413
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000413)=0.000000000000000E+00
|
|
(calc=0.133787649097590E+02 read=0.133787649097590E+02)
|
|
Weight for this step=0.75734E-01 -.14901E+01
|
|
beta (00000414)=0.133787649097590E+02
|
|
gamma(00000414)=0.133787649097590E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 414
|
|
z1= 1 0.355693592595614E-05 0.000000000000000E+00
|
|
z1= 2 0.111324644054363E-02 0.000000000000000E+00
|
|
z1= 3 -.729228361545751E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000414)=0.000000000000000E+00
|
|
(calc=0.130605899516051E+02 read=0.130605899516051E+02)
|
|
Weight for this step=0.11321E+00 -.23571E+01
|
|
beta (00000415)=0.130605899516051E+02
|
|
gamma(00000415)=0.130605899516051E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 415
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000415)=0.000000000000000E+00
|
|
(calc=0.135228179007108E+02 read=0.135228179007108E+02)
|
|
Weight for this step=-.71725E-01 0.14083E+01
|
|
beta (00000416)=0.135228179007108E+02
|
|
gamma(00000416)=0.135228179007108E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 416
|
|
z1= 1 -.360897485866493E-05 0.000000000000000E+00
|
|
z1= 2 -.106535834618177E-02 0.000000000000000E+00
|
|
z1= 3 0.706460358011128E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000416)=0.000000000000000E+00
|
|
(calc=0.126275304977541E+02 read=0.126275304977541E+02)
|
|
Weight for this step=-.11292E+00 0.23447E+01
|
|
beta (00000417)=0.126275304977541E+02
|
|
gamma(00000417)=0.126275304977541E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 417
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000417)=0.000000000000000E+00
|
|
(calc=0.138147934305683E+02 read=0.138147934305683E+02)
|
|
Weight for this step=0.70771E-01 -.13866E+01
|
|
beta (00000418)=0.138147934305683E+02
|
|
gamma(00000418)=0.138147934305683E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 418
|
|
z1= 1 0.347843557684099E-05 0.000000000000000E+00
|
|
z1= 2 0.855620705475901E-03 0.000000000000000E+00
|
|
z1= 3 -.721907126675393E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000418)=0.000000000000000E+00
|
|
(calc=0.126621225811536E+02 read=0.126621225811536E+02)
|
|
Weight for this step=0.10667E+00 -.22089E+01
|
|
beta (00000419)=0.126621225811536E+02
|
|
gamma(00000419)=0.126621225811536E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 419
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000419)=0.000000000000000E+00
|
|
(calc=0.135334940445231E+02 read=0.135334940445231E+02)
|
|
Weight for this step=-.71524E-01 0.13986E+01
|
|
beta (00000420)=0.135334940445231E+02
|
|
gamma(00000420)=0.135334940445231E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 420
|
|
z1= 1 -.343538321197906E-05 0.000000000000000E+00
|
|
z1= 2 -.679875609601815E-03 0.000000000000000E+00
|
|
z1= 3 0.663910259974496E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000420)=0.000000000000000E+00
|
|
(calc=0.128427744910704E+02 read=0.128427744910704E+02)
|
|
Weight for this step=-.10336E+00 0.21343E+01
|
|
beta (00000421)=0.128427744910704E+02
|
|
gamma(00000421)=0.128427744910704E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 421
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000421)=0.000000000000000E+00
|
|
(calc=0.130972320637599E+02 read=0.130972320637599E+02)
|
|
Weight for this step=0.69937E-01 -.13651E+01
|
|
beta (00000422)=0.130972320637599E+02
|
|
gamma(00000422)=0.130972320637599E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 422
|
|
z1= 1 0.355054161505029E-05 0.000000000000000E+00
|
|
z1= 2 0.621534002788993E-03 0.000000000000000E+00
|
|
z1= 3 -.695305420185608E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000422)=0.000000000000000E+00
|
|
(calc=0.127561505001919E+02 read=0.127561505001919E+02)
|
|
Weight for this step=0.10495E+00 -.21611E+01
|
|
beta (00000423)=0.127561505001919E+02
|
|
gamma(00000423)=0.127561505001919E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 423
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000423)=0.000000000000000E+00
|
|
(calc=0.136009960440677E+02 read=0.136009960440677E+02)
|
|
Weight for this step=-.66251E-01 0.12907E+01
|
|
beta (00000424)=0.136009960440677E+02
|
|
gamma(00000424)=0.136009960440677E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 424
|
|
z1= 1 -.350315878271980E-05 0.000000000000000E+00
|
|
z1= 2 -.547642060654080E-03 0.000000000000000E+00
|
|
z1= 3 0.607564466720235E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000424)=0.000000000000000E+00
|
|
(calc=0.123518136165995E+02 read=0.123518136165995E+02)
|
|
Weight for this step=-.10172E+00 0.20889E+01
|
|
beta (00000425)=0.123518136165995E+02
|
|
gamma(00000425)=0.123518136165995E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 425
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000425)=0.000000000000000E+00
|
|
(calc=0.137429597652421E+02 read=0.137429597652421E+02)
|
|
Weight for this step=0.67392E-01 -.13105E+01
|
|
beta (00000426)=0.137429597652421E+02
|
|
gamma(00000426)=0.137429597652421E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 426
|
|
z1= 1 0.332417002043683E-05 0.000000000000000E+00
|
|
z1= 2 0.422026353286911E-03 0.000000000000000E+00
|
|
z1= 3 -.577895558432728E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000426)=0.000000000000000E+00
|
|
(calc=0.127408175125267E+02 read=0.127408175125267E+02)
|
|
Weight for this step=0.94726E-01 -.19399E+01
|
|
beta (00000427)=0.127408175125267E+02
|
|
gamma(00000427)=0.127408175125267E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 427
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000427)=0.000000000000000E+00
|
|
(calc=0.133045013679117E+02 read=0.133045013679117E+02)
|
|
Weight for this step=-.67674E-01 0.13139E+01
|
|
beta (00000428)=0.133045013679117E+02
|
|
gamma(00000428)=0.133045013679117E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 428
|
|
z1= 1 -.336402921859592E-05 0.000000000000000E+00
|
|
z1= 2 -.212860751469405E-03 0.000000000000000E+00
|
|
z1= 3 0.516814810487412E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000428)=0.000000000000000E+00
|
|
(calc=0.128353464628649E+02 read=0.128353464628649E+02)
|
|
Weight for this step=-.94141E-01 0.19224E+01
|
|
beta (00000429)=0.128353464628649E+02
|
|
gamma(00000429)=0.128353464628649E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 429
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000429)=0.000000000000000E+00
|
|
(calc=0.132090521151817E+02 read=0.132090521151817E+02)
|
|
Weight for this step=0.65196E-01 -.12639E+01
|
|
beta (00000430)=0.132090521151817E+02
|
|
gamma(00000430)=0.132090521151817E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 430
|
|
z1= 1 0.345568304754677E-05 0.000000000000000E+00
|
|
z1= 2 -.141169383338177E-03 0.000000000000000E+00
|
|
z1= 3 -.528274203776945E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000430)=0.000000000000000E+00
|
|
(calc=0.129472394895322E+02 read=0.129472394895322E+02)
|
|
Weight for this step=0.94804E-01 -.19306E+01
|
|
beta (00000431)=0.129472394895322E+02
|
|
gamma(00000431)=0.129472394895322E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 431
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000431)=0.000000000000000E+00
|
|
(calc=0.135190728141264E+02 read=0.135190728141264E+02)
|
|
Weight for this step=-.61572E-01 0.11919E+01
|
|
beta (00000432)=0.135190728141264E+02
|
|
gamma(00000432)=0.135190728141264E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 432
|
|
z1= 1 -.347200138584546E-05 0.000000000000000E+00
|
|
z1= 2 0.469690044792904E-03 0.000000000000000E+00
|
|
z1= 3 0.457602486605676E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000432)=0.000000000000000E+00
|
|
(calc=0.125895523028154E+02 read=0.125895523028154E+02)
|
|
Weight for this step=-.93863E-01 0.19066E+01
|
|
beta (00000433)=0.125895523028154E+02
|
|
gamma(00000433)=0.125895523028154E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 433
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000433)=0.000000000000000E+00
|
|
(calc=0.137837538622083E+02 read=0.137837538622083E+02)
|
|
Weight for this step=0.61086E-01 -.11807E+01
|
|
beta (00000434)=0.137837538622083E+02
|
|
gamma(00000434)=0.137837538622083E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 434
|
|
z1= 1 0.333708611226918E-05 0.000000000000000E+00
|
|
z1= 2 -.699398844076347E-03 0.000000000000000E+00
|
|
z1= 3 -.448409663487493E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000434)=0.000000000000000E+00
|
|
(calc=0.128837839408683E+02 read=0.128837839408683E+02)
|
|
Weight for this step=0.88718E-01 -.17975E+01
|
|
beta (00000435)=0.128837839408683E+02
|
|
gamma(00000435)=0.128837839408683E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 435
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000435)=0.000000000000000E+00
|
|
(calc=0.132266197108807E+02 read=0.132266197108807E+02)
|
|
Weight for this step=-.60706E-01 0.11719E+01
|
|
beta (00000436)=0.132266197108807E+02
|
|
gamma(00000436)=0.132266197108807E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 436
|
|
z1= 1 -.343407201691768E-05 0.000000000000000E+00
|
|
z1= 2 0.900452815317272E-03 0.000000000000000E+00
|
|
z1= 3 0.406457691743767E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000436)=0.000000000000000E+00
|
|
(calc=0.129067967076268E+02 read=0.129067967076268E+02)
|
|
Weight for this step=-.89511E-01 0.18089E+01
|
|
beta (00000437)=0.129067967076268E+02
|
|
gamma(00000437)=0.129067967076268E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 437
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000437)=0.000000000000000E+00
|
|
(calc=0.128547296033026E+02 read=0.128547296033026E+02)
|
|
Weight for this step=0.57531E-01 -.11092E+01
|
|
beta (00000438)=0.128547296033026E+02
|
|
gamma(00000438)=0.128547296033026E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 438
|
|
z1= 1 0.364543076266256E-05 0.000000000000000E+00
|
|
z1= 2 -.935461943856887E-03 0.000000000000000E+00
|
|
z1= 3 -.415973321438775E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000438)=0.000000000000000E+00
|
|
(calc=0.127824558443860E+02 read=0.127824558443860E+02)
|
|
Weight for this step=0.92890E-01 -.18727E+01
|
|
beta (00000439)=0.127824558443860E+02
|
|
gamma(00000439)=0.127824558443860E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 439
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000439)=0.000000000000000E+00
|
|
(calc=0.133184611926670E+02 read=0.133184611926670E+02)
|
|
Weight for this step=-.52953E-01 0.10196E+01
|
|
beta (00000440)=0.133184611926670E+02
|
|
gamma(00000440)=0.133184611926670E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 440
|
|
z1= 1 -.369896078665152E-05 0.000000000000000E+00
|
|
z1= 2 0.810604481258283E-03 0.000000000000000E+00
|
|
z1= 3 0.386159868625289E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000440)=0.000000000000000E+00
|
|
(calc=0.124654952687681E+02 read=0.124654952687681E+02)
|
|
Weight for this step=-.91831E-01 0.18475E+01
|
|
beta (00000441)=0.124654952687681E+02
|
|
gamma(00000441)=0.124654952687681E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 441
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000441)=0.000000000000000E+00
|
|
(calc=0.134802932901439E+02 read=0.134802932901439E+02)
|
|
Weight for this step=0.51605E-01 -.99231E+00
|
|
beta (00000442)=0.134802932901439E+02
|
|
gamma(00000442)=0.134802932901439E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 442
|
|
z1= 1 0.361674075033489E-05 0.000000000000000E+00
|
|
z1= 2 -.516541111349057E-03 0.000000000000000E+00
|
|
z1= 3 -.370438596550325E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000442)=0.000000000000000E+00
|
|
(calc=0.125905814656399E+02 read=0.125905814656399E+02)
|
|
Weight for this step=0.87497E-01 -.17566E+01
|
|
beta (00000443)=0.125905814656399E+02
|
|
gamma(00000443)=0.125905814656399E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 443
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000443)=0.000000000000000E+00
|
|
(calc=0.133373876732618E+02 read=0.133373876732618E+02)
|
|
Weight for this step=-.50563E-01 0.97112E+00
|
|
beta (00000444)=0.133373876732618E+02
|
|
gamma(00000444)=0.133373876732618E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 444
|
|
z1= 1 -.363007190928508E-05 0.000000000000000E+00
|
|
z1= 2 0.180622442486240E-03 0.000000000000000E+00
|
|
z1= 3 0.358373264400073E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000444)=0.000000000000000E+00
|
|
(calc=0.132098636244196E+02 read=0.132098636244196E+02)
|
|
Weight for this step=-.85152E-01 0.17059E+01
|
|
beta (00000445)=0.132098636244196E+02
|
|
gamma(00000445)=0.132098636244196E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 445
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000445)=0.000000000000000E+00
|
|
(calc=0.130285542047167E+02 read=0.130285542047167E+02)
|
|
Weight for this step=0.46703E-01 -.89596E+00
|
|
beta (00000446)=0.130285542047167E+02
|
|
gamma(00000446)=0.130285542047167E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 446
|
|
z1= 1 0.390309292262227E-05 0.000000000000000E+00
|
|
z1= 2 0.129982952726333E-03 0.000000000000000E+00
|
|
z1= 3 -.370745092048794E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000446)=0.000000000000000E+00
|
|
(calc=0.129522392874696E+02 read=0.129522392874696E+02)
|
|
Weight for this step=0.88753E-01 -.17746E+01
|
|
beta (00000447)=0.129522392874696E+02
|
|
gamma(00000447)=0.129522392874696E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 447
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000447)=0.000000000000000E+00
|
|
(calc=0.132092081359833E+02 read=0.132092081359833E+02)
|
|
Weight for this step=-.42355E-01 0.81156E+00
|
|
beta (00000448)=0.132092081359833E+02
|
|
gamma(00000448)=0.132092081359833E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 448
|
|
z1= 1 -.403731442919116E-05 0.000000000000000E+00
|
|
z1= 2 -.343879506753389E-03 0.000000000000000E+00
|
|
z1= 3 0.391038914596565E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000448)=0.000000000000000E+00
|
|
(calc=0.129489725602347E+02 read=0.129489725602347E+02)
|
|
Weight for this step=-.89186E-01 0.17803E+01
|
|
beta (00000449)=0.129489725602347E+02
|
|
gamma(00000449)=0.129489725602347E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 449
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000449)=0.000000000000000E+00
|
|
(calc=0.136503991375937E+02 read=0.136503991375937E+02)
|
|
Weight for this step=0.38561E-01 -.73788E+00
|
|
beta (00000450)=0.136503991375937E+02
|
|
gamma(00000450)=0.136503991375937E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 450
|
|
z1= 1 0.401721308441148E-05 0.000000000000000E+00
|
|
z1= 2 0.462324990944856E-03 0.000000000000000E+00
|
|
z1= 3 -.377777717645682E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000450)=0.000000000000000E+00
|
|
(calc=0.124501778501954E+02 read=0.124501778501954E+02)
|
|
Weight for this step=0.86507E-01 -.17242E+01
|
|
beta (00000451)=0.124501778501954E+02
|
|
gamma(00000451)=0.124501778501954E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 451
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000451)=0.000000000000000E+00
|
|
(calc=0.137434161894415E+02 read=0.137434161894415E+02)
|
|
Weight for this step=-.37591E-01 0.71836E+00
|
|
beta (00000452)=0.137434161894415E+02
|
|
gamma(00000452)=0.137434161894415E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 452
|
|
z1= 1 -.382862144499355E-05 0.000000000000000E+00
|
|
z1= 2 -.621767500823111E-03 0.000000000000000E+00
|
|
z1= 3 0.375226719293888E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000452)=0.000000000000000E+00
|
|
(calc=0.123492999674624E+02 read=0.123492999674624E+02)
|
|
Weight for this step=-.80209E-01 0.15962E+01
|
|
beta (00000453)=0.123492999674624E+02
|
|
gamma(00000453)=0.123492999674624E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 453
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000453)=0.000000000000000E+00
|
|
(calc=0.136342991977854E+02 read=0.136342991977854E+02)
|
|
Weight for this step=0.37454E-01 -.71486E+00
|
|
beta (00000454)=0.136342991977854E+02
|
|
gamma(00000454)=0.136342991977854E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 454
|
|
z1= 1 0.367572793649740E-05 0.000000000000000E+00
|
|
z1= 2 0.740977985282658E-03 0.000000000000000E+00
|
|
z1= 3 -.313670673498991E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000454)=0.000000000000000E+00
|
|
(calc=0.124949114503783E+02 read=0.124949114503783E+02)
|
|
Weight for this step=0.74500E-01 -.14801E+01
|
|
beta (00000455)=0.124949114503783E+02
|
|
gamma(00000455)=0.124949114503783E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 455
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000455)=0.000000000000000E+00
|
|
(calc=0.136130166845993E+02 read=0.136130166845993E+02)
|
|
Weight for this step=-.36848E-01 0.70251E+00
|
|
beta (00000456)=0.136130166845993E+02
|
|
gamma(00000456)=0.136130166845993E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 456
|
|
z1= 1 -.358706103227233E-05 0.000000000000000E+00
|
|
z1= 2 -.936906525542826E-03 0.000000000000000E+00
|
|
z1= 3 0.305161748468844E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000456)=0.000000000000000E+00
|
|
(calc=0.127298154592947E+02 read=0.127298154592947E+02)
|
|
Weight for this step=-.70205E-01 0.13923E+01
|
|
beta (00000457)=0.127298154592947E+02
|
|
gamma(00000457)=0.127298154592947E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 457
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000457)=0.000000000000000E+00
|
|
(calc=0.134663545657473E+02 read=0.134663545657473E+02)
|
|
Weight for this step=0.35685E-01 -.67966E+00
|
|
beta (00000458)=0.134663545657473E+02
|
|
gamma(00000458)=0.134663545657473E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 458
|
|
z1= 1 0.361745209026803E-05 0.000000000000000E+00
|
|
z1= 2 0.110740060609719E-02 0.000000000000000E+00
|
|
z1= 3 -.225432269697812E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000458)=0.000000000000000E+00
|
|
(calc=0.129361010162124E+02 read=0.129361010162124E+02)
|
|
Weight for this step=0.68150E-01 -.13492E+01
|
|
beta (00000459)=0.129361010162124E+02
|
|
gamma(00000459)=0.129361010162124E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 459
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000459)=0.000000000000000E+00
|
|
(calc=0.134362676828306E+02 read=0.134362676828306E+02)
|
|
Weight for this step=-.33595E-01 0.63925E+00
|
|
beta (00000460)=0.134362676828306E+02
|
|
gamma(00000460)=0.134362676828306E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 460
|
|
z1= 1 -.371429502775888E-05 0.000000000000000E+00
|
|
z1= 2 -.121695328941353E-02 0.000000000000000E+00
|
|
z1= 3 0.222373480037721E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000460)=0.000000000000000E+00
|
|
(calc=0.127149953015401E+02 read=0.127149953015401E+02)
|
|
Weight for this step=-.67297E-01 0.13301E+01
|
|
beta (00000461)=0.127149953015401E+02
|
|
gamma(00000461)=0.127149953015401E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 461
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000461)=0.000000000000000E+00
|
|
(calc=0.133073122674314E+02 read=0.133073122674314E+02)
|
|
Weight for this step=0.31931E-01 -.60704E+00
|
|
beta (00000462)=0.133073122674314E+02
|
|
gamma(00000462)=0.133073122674314E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 462
|
|
z1= 1 0.377726007610730E-05 0.000000000000000E+00
|
|
z1= 2 0.123537531927305E-02 0.000000000000000E+00
|
|
z1= 3 -.116130022030777E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000462)=0.000000000000000E+00
|
|
(calc=0.130288453076303E+02 read=0.130288453076303E+02)
|
|
Weight for this step=0.65918E-01 -.13007E+01
|
|
beta (00000463)=0.130288453076303E+02
|
|
gamma(00000463)=0.130288453076303E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 463
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000463)=0.000000000000000E+00
|
|
(calc=0.134211060905844E+02 read=0.134211060905844E+02)
|
|
Weight for this step=-.29202E-01 0.55467E+00
|
|
beta (00000464)=0.134211060905844E+02
|
|
gamma(00000464)=0.134211060905844E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 464
|
|
z1= 1 -.389719241943292E-05 0.000000000000000E+00
|
|
z1= 2 -.114511682555913E-02 0.000000000000000E+00
|
|
z1= 3 0.962383694459203E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000464)=0.000000000000000E+00
|
|
(calc=0.126554462145019E+02 read=0.126554462145019E+02)
|
|
Weight for this step=-.65457E-01 0.12898E+01
|
|
beta (00000465)=0.126554462145019E+02
|
|
gamma(00000465)=0.126554462145019E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 465
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000465)=0.000000000000000E+00
|
|
(calc=0.134457826308683E+02 read=0.134457826308683E+02)
|
|
Weight for this step=0.27481E-01 -.52152E+00
|
|
beta (00000466)=0.134457826308683E+02
|
|
gamma(00000466)=0.134457826308683E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 466
|
|
z1= 1 0.388272020129246E-05 0.000000000000000E+00
|
|
z1= 2 0.100079602373440E-02 0.000000000000000E+00
|
|
z1= 3 0.103615708450366E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000466)=0.000000000000000E+00
|
|
(calc=0.128140938876774E+02 read=0.128140938876774E+02)
|
|
Weight for this step=0.62987E-01 -.12394E+01
|
|
beta (00000467)=0.128140938876774E+02
|
|
gamma(00000467)=0.128140938876774E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 467
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000467)=0.000000000000000E+00
|
|
(calc=0.136873194859020E+02 read=0.136873194859020E+02)
|
|
Weight for this step=-.25521E-01 0.48392E+00
|
|
beta (00000468)=0.136873194859020E+02
|
|
gamma(00000468)=0.136873194859020E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 468
|
|
z1= 1 -.385435846205623E-05 0.000000000000000E+00
|
|
z1= 2 -.837717180515994E-03 0.000000000000000E+00
|
|
z1= 3 -.441254881136492E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000468)=0.000000000000000E+00
|
|
(calc=0.126931626857742E+02 read=0.126931626857742E+02)
|
|
Weight for this step=-.60224E-01 0.11834E+01
|
|
beta (00000469)=0.126931626857742E+02
|
|
gamma(00000469)=0.126931626857742E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 469
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000469)=0.000000000000000E+00
|
|
(calc=0.136810341469459E+02 read=0.136810341469459E+02)
|
|
Weight for this step=0.24321E-01 -.46080E+00
|
|
beta (00000470)=0.136810341469459E+02
|
|
gamma(00000470)=0.136810341469459E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 470
|
|
z1= 1 0.380378445662252E-05 0.000000000000000E+00
|
|
z1= 2 0.602975479098504E-03 0.000000000000000E+00
|
|
z1= 3 0.106929277971673E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000470)=0.000000000000000E+00
|
|
(calc=0.127563523479081E+02 read=0.127563523479081E+02)
|
|
Weight for this step=0.57073E-01 -.11200E+01
|
|
beta (00000471)=0.127563523479081E+02
|
|
gamma(00000471)=0.127563523479081E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 471
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000471)=0.000000000000000E+00
|
|
(calc=0.133838540435056E+02 read=0.133838540435056E+02)
|
|
Weight for this step=-.23067E-01 0.43673E+00
|
|
beta (00000472)=0.133838540435056E+02
|
|
gamma(00000472)=0.133838540435056E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 472
|
|
z1= 1 -.385238014576224E-05 0.000000000000000E+00
|
|
z1= 2 -.376681801736627E-03 0.000000000000000E+00
|
|
z1= 3 -.116924598616810E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000472)=0.000000000000000E+00
|
|
(calc=0.126367552995957E+02 read=0.126367552995957E+02)
|
|
Weight for this step=-.55558E-01 0.10889E+01
|
|
beta (00000473)=0.126367552995957E+02
|
|
gamma(00000473)=0.126367552995957E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 473
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000473)=0.000000000000000E+00
|
|
(calc=0.134964239947119E+02 read=0.134964239947119E+02)
|
|
Weight for this step=0.21467E-01 -.40615E+00
|
|
beta (00000474)=0.134964239947119E+02
|
|
gamma(00000474)=0.134964239947119E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 474
|
|
z1= 1 0.384661644548022E-05 0.000000000000000E+00
|
|
z1= 2 0.138496659420622E-03 0.000000000000000E+00
|
|
z1= 3 0.192700810342064E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000474)=0.000000000000000E+00
|
|
(calc=0.127392694980907E+02 read=0.127392694980907E+02)
|
|
Weight for this step=0.53090E-01 -.10392E+01
|
|
beta (00000475)=0.127392694980907E+02
|
|
gamma(00000475)=0.127392694980907E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 475
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000475)=0.000000000000000E+00
|
|
(calc=0.133043228983343E+02 read=0.133043228983343E+02)
|
|
Weight for this step=-.19933E-01 0.37690E+00
|
|
beta (00000476)=0.133043228983343E+02
|
|
gamma(00000476)=0.133043228983343E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 476
|
|
z1= 1 -.393603089376016E-05 0.000000000000000E+00
|
|
z1= 2 -.361349867333697E-05 0.000000000000000E+00
|
|
z1= 3 -.185416828925148E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000476)=0.000000000000000E+00
|
|
(calc=0.126415231247151E+02 read=0.126415231247151E+02)
|
|
Weight for this step=-.51845E-01 0.10136E+01
|
|
beta (00000477)=0.126415231247151E+02
|
|
gamma(00000477)=0.126415231247151E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 477
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000477)=0.000000000000000E+00
|
|
(calc=0.133306153906395E+02 read=0.133306153906395E+02)
|
|
Weight for this step=0.18214E-01 -.34418E+00
|
|
beta (00000478)=0.133306153906395E+02
|
|
gamma(00000478)=0.133306153906395E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 478
|
|
z1= 1 0.400483632541143E-05 0.000000000000000E+00
|
|
z1= 2 -.892581267927213E-04 0.000000000000000E+00
|
|
z1= 3 0.234680171025024E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000478)=0.000000000000000E+00
|
|
(calc=0.126280433653617E+02 read=0.126280433653617E+02)
|
|
Weight for this step=0.50085E-01 -.97812E+00
|
|
beta (00000479)=0.126280433653617E+02
|
|
gamma(00000479)=0.126280433653617E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 479
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000479)=0.000000000000000E+00
|
|
(calc=0.133935295738204E+02 read=0.133935295738204E+02)
|
|
Weight for this step=-.16553E-01 0.31262E+00
|
|
beta (00000480)=0.133935295738204E+02
|
|
gamma(00000480)=0.133935295738204E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 480
|
|
z1= 1 -.406047907299282E-05 0.000000000000000E+00
|
|
z1= 2 0.171129993285586E-03 0.000000000000000E+00
|
|
z1= 3 -.259820994054220E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000480)=0.000000000000000E+00
|
|
(calc=0.126439269780216E+02 read=0.126439269780216E+02)
|
|
Weight for this step=-.48055E-01 0.93749E+00
|
|
beta (00000481)=0.126439269780216E+02
|
|
gamma(00000481)=0.126439269780216E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 481
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000481)=0.000000000000000E+00
|
|
(calc=0.134762718104060E+02 read=0.134762718104060E+02)
|
|
Weight for this step=0.14973E-01 -.28263E+00
|
|
beta (00000482)=0.134762718104060E+02
|
|
gamma(00000482)=0.134762718104060E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 482
|
|
z1= 1 0.410442487184691E-05 0.000000000000000E+00
|
|
z1= 2 -.274985388259063E-03 0.000000000000000E+00
|
|
z1= 3 0.286610254445234E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000482)=0.000000000000000E+00
|
|
(calc=0.127040159358471E+02 read=0.127040159358471E+02)
|
|
Weight for this step=0.45835E-01 -.89332E+00
|
|
beta (00000483)=0.127040159358471E+02
|
|
gamma(00000483)=0.127040159358471E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 483
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000483)=0.000000000000000E+00
|
|
(calc=0.136554971595844E+02 read=0.136554971595844E+02)
|
|
Weight for this step=-.13451E-01 0.25378E+00
|
|
beta (00000484)=0.136554971595844E+02
|
|
gamma(00000484)=0.136554971595844E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 484
|
|
z1= 1 -.411075902353878E-05 0.000000000000000E+00
|
|
z1= 2 0.373607202666281E-03 0.000000000000000E+00
|
|
z1= 3 -.296537459572668E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000484)=0.000000000000000E+00
|
|
(calc=0.126719379371227E+02 read=0.126719379371227E+02)
|
|
Weight for this step=-.43305E-01 0.84324E+00
|
|
beta (00000485)=0.126719379371227E+02
|
|
gamma(00000485)=0.126719379371227E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 485
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000485)=0.000000000000000E+00
|
|
(calc=0.132368008344103E+02 read=0.132368008344103E+02)
|
|
Weight for this step=0.12191E-01 -.22992E+00
|
|
beta (00000486)=0.132368008344103E+02
|
|
gamma(00000486)=0.132368008344103E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 486
|
|
z1= 1 0.426985814170298E-05 0.000000000000000E+00
|
|
z1= 2 -.477543466164154E-03 0.000000000000000E+00
|
|
z1= 3 0.325889418886056E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000486)=0.000000000000000E+00
|
|
(calc=0.124437256634576E+02 read=0.124437256634576E+02)
|
|
Weight for this step=0.42077E-01 -.81862E+00
|
|
beta (00000487)=0.124437256634576E+02
|
|
gamma(00000487)=0.124437256634576E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 487
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000487)=0.000000000000000E+00
|
|
(calc=0.134512608676438E+02 read=0.134512608676438E+02)
|
|
Weight for this step=-.10689E-01 0.20152E+00
|
|
beta (00000488)=0.134512608676438E+02
|
|
gamma(00000488)=0.134512608676438E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 488
|
|
z1= 1 -.428405639035030E-05 0.000000000000000E+00
|
|
z1= 2 0.507265177128253E-03 0.000000000000000E+00
|
|
z1= 3 -.401935508998581E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000488)=0.000000000000000E+00
|
|
(calc=0.128384065191086E+02 read=0.128384065191086E+02)
|
|
Weight for this step=-.39460E-01 0.76711E+00
|
|
beta (00000489)=0.128384065191086E+02
|
|
gamma(00000489)=0.128384065191086E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 489
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000489)=0.000000000000000E+00
|
|
(calc=0.132658316068932E+02 read=0.132658316068932E+02)
|
|
Weight for this step=0.91276E-02 -.17203E+00
|
|
beta (00000490)=0.132658316068932E+02
|
|
gamma(00000490)=0.132658316068932E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 490
|
|
z1= 1 0.450465773829505E-05 0.000000000000000E+00
|
|
z1= 2 -.576614036274102E-03 0.000000000000000E+00
|
|
z1= 3 0.406563605367044E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000490)=0.000000000000000E+00
|
|
(calc=0.125999664114415E+02 read=0.125999664114415E+02)
|
|
Weight for this step=0.38652E-01 -.75088E+00
|
|
beta (00000491)=0.125999664114415E+02
|
|
gamma(00000491)=0.125999664114415E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 491
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000491)=0.000000000000000E+00
|
|
(calc=0.134509688544327E+02 read=0.134509688544327E+02)
|
|
Weight for this step=-.75423E-02 0.14211E+00
|
|
beta (00000492)=0.134509688544327E+02
|
|
gamma(00000492)=0.134509688544327E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 492
|
|
z1= 1 -.456365775917782E-05 0.000000000000000E+00
|
|
z1= 2 0.648837667894138E-03 0.000000000000000E+00
|
|
z1= 3 -.469353097401075E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000492)=0.000000000000000E+00
|
|
(calc=0.127242824294439E+02 read=0.127242824294439E+02)
|
|
Weight for this step=-.36585E-01 0.71029E+00
|
|
beta (00000493)=0.127242824294439E+02
|
|
gamma(00000493)=0.127242824294439E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 493
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000493)=0.000000000000000E+00
|
|
(calc=0.132863303758182E+02 read=0.132863303758182E+02)
|
|
Weight for this step=0.60352E-02 -.11369E+00
|
|
beta (00000494)=0.132863303758182E+02
|
|
gamma(00000494)=0.132863303758182E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 494
|
|
z1= 1 0.473671558561158E-05 0.000000000000000E+00
|
|
z1= 2 -.798264601193603E-03 0.000000000000000E+00
|
|
z1= 3 0.445719906998584E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000494)=0.000000000000000E+00
|
|
(calc=0.124537545091124E+02 read=0.124537545091124E+02)
|
|
Weight for this step=0.35343E-01 -.68585E+00
|
|
beta (00000495)=0.124537545091124E+02
|
|
gamma(00000495)=0.124537545091124E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 495
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000495)=0.000000000000000E+00
|
|
(calc=0.134982416403500E+02 read=0.134982416403500E+02)
|
|
Weight for this step=-.45259E-02 0.85241E-01
|
|
beta (00000496)=0.134982416403500E+02
|
|
gamma(00000496)=0.134982416403500E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 496
|
|
z1= 1 -.471992126898453E-05 0.000000000000000E+00
|
|
z1= 2 0.848303688547713E-03 0.000000000000000E+00
|
|
z1= 3 -.552592860073525E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000496)=0.000000000000000E+00
|
|
(calc=0.128385631395059E+02 read=0.128385631395059E+02)
|
|
Weight for this step=-.32834E-01 0.63691E+00
|
|
beta (00000497)=0.128385631395059E+02
|
|
gamma(00000497)=0.128385631395059E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 497
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000497)=0.000000000000000E+00
|
|
(calc=0.133352467450784E+02 read=0.133352467450784E+02)
|
|
Weight for this step=0.30347E-02 -.57150E-01
|
|
beta (00000498)=0.133352467450784E+02
|
|
gamma(00000498)=0.133352467450784E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 498
|
|
z1= 1 0.494108690180352E-05 0.000000000000000E+00
|
|
z1= 2 -.918828559944174E-03 0.000000000000000E+00
|
|
z1= 3 0.500210080791805E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000498)=0.000000000000000E+00
|
|
(calc=0.126817729924288E+02 read=0.126817729924288E+02)
|
|
Weight for this step=0.31764E-01 -.61599E+00
|
|
beta (00000499)=0.126817729924288E+02
|
|
gamma(00000499)=0.126817729924288E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 499
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000499)=0.000000000000000E+00
|
|
(calc=0.134573919767135E+02 read=0.134573919767135E+02)
|
|
Weight for this step=-.15029E-02 0.28301E-01
|
|
beta (00000500)=0.134573919767135E+02
|
|
gamma(00000500)=0.134573919767135E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 500
|
|
z1= 1 -.502620231023322E-05 0.000000000000000E+00
|
|
z1= 2 0.105285130001619E-02 0.000000000000000E+00
|
|
z1= 3 -.662713477186878E-06 0.000000000000000E+00
|
|
alpha(00000500)=0.000000000000000E+00
|
|
(calc=0.127047234459536E+02 read=0.127047234459536E+02)
|
|
Weight for this step=-.30009E-01 0.58187E+00
|
|
beta (00000501)=0.127047234459536E+02
|
|
gamma(00000501)=0.127047234459536E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Writing Cube file for response charge density
|
|
|
|
Writing Cube file for response charge density
|
|
|
|
|
|
Reading Pre-calculated lanczos coefficents from ./out/ch4-pr.beta_gamma_z.3
|
|
500 steps succesfully read for polarization index 3
|
|
|
|
Calculating response coefficients
|
|
Resonance frequency mode enabled
|
|
Charge Response renormalization factor: 0.25097E+05 0.00000E+00
|
|
Norm of initial Lanczos vectors= 1.841652243191165
|
|
|
|
Starting Lanczos loop 3
|
|
|
|
Lanczos iteration: 1
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000001)=0.000000000000000E+00
|
|
(calc=0.171988313361988E+01 read=0.171988313361988E+01)
|
|
Weight for this step=-.78845E+00 -.25097E+02
|
|
beta (00000002)=0.171988313361988E+01
|
|
gamma(00000002)=0.171988313361988E+01
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 2
|
|
z1= 1 0.663024870149157E-06 0.000000000000000E+00
|
|
z1= 2 -.221874526081141E-05 0.000000000000000E+00
|
|
z1= 3 0.124520560488345E+01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000002)=0.000000000000000E+00
|
|
(calc=0.476672412555626E+01 read=0.476672412555626E+01)
|
|
Weight for this step=-.86693E+00 -.95525E+01
|
|
beta (00000003)=0.476672412555626E+01
|
|
gamma(00000003)=0.476672412555626E+01
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 3
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000003)=0.000000000000000E+00
|
|
(calc=0.135455786704734E+02 read=0.135455786704734E+02)
|
|
Weight for this step=0.16743E+00 0.77432E+01
|
|
beta (00000004)=0.135455786704734E+02
|
|
gamma(00000004)=0.135455786704734E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 4
|
|
z1= 1 -.218065605493115E-06 0.000000000000000E+00
|
|
z1= 2 0.772582398582389E-06 0.000000000000000E+00
|
|
z1= 3 -.355940981942414E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000004)=0.000000000000000E+00
|
|
(calc=0.127184753500732E+02 read=0.127184753500732E+02)
|
|
Weight for this step=0.31260E+00 0.37358E+01
|
|
beta (00000005)=0.127184753500732E+02
|
|
gamma(00000005)=0.127184753500732E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 5
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000005)=0.000000000000000E+00
|
|
(calc=0.134778619466885E+02 read=0.134778619466885E+02)
|
|
Weight for this step=-.16252E+00 -.80545E+01
|
|
beta (00000006)=0.134778619466885E+02
|
|
gamma(00000006)=0.134778619466885E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 6
|
|
z1= 1 0.220907282646955E-06 0.000000000000000E+00
|
|
z1= 2 -.747562628365119E-06 0.000000000000000E+00
|
|
z1= 3 0.303457752222706E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000006)=0.000000000000000E+00
|
|
(calc=0.128879311184969E+02 read=0.128879311184969E+02)
|
|
Weight for this step=-.30228E+00 -.39165E+01
|
|
beta (00000007)=0.128879311184969E+02
|
|
gamma(00000007)=0.128879311184969E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 7
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000007)=0.000000000000000E+00
|
|
(calc=0.133738577579146E+02 read=0.133738577579146E+02)
|
|
Weight for this step=0.15491E+00 0.82242E+01
|
|
beta (00000008)=0.133738577579146E+02
|
|
gamma(00000008)=0.133738577579146E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 8
|
|
z1= 1 -.240226473592576E-06 0.000000000000000E+00
|
|
z1= 2 0.768083316857431E-06 0.000000000000000E+00
|
|
z1= 3 -.273900448948058E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000008)=0.000000000000000E+00
|
|
(calc=0.128588191679613E+02 read=0.128588191679613E+02)
|
|
Weight for this step=0.29826E+00 0.41767E+01
|
|
beta (00000009)=0.128588191679613E+02
|
|
gamma(00000009)=0.128588191679613E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 9
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000009)=0.000000000000000E+00
|
|
(calc=0.134143954539029E+02 read=0.134143954539029E+02)
|
|
Weight for this step=-.14626E+00 -.83410E+01
|
|
beta (00000010)=0.134143954539029E+02
|
|
gamma(00000010)=0.134143954539029E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 10
|
|
z1= 1 0.261131678431874E-06 0.000000000000000E+00
|
|
z1= 2 -.825782731452468E-06 0.000000000000000E+00
|
|
z1= 3 0.250162592949930E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000010)=0.000000000000000E+00
|
|
(calc=0.128242598091633E+02 read=0.128242598091633E+02)
|
|
Weight for this step=-.29243E+00 -.44108E+01
|
|
beta (00000011)=0.128242598091633E+02
|
|
gamma(00000011)=0.128242598091633E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 11
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000011)=0.000000000000000E+00
|
|
(calc=0.134762977044858E+02 read=0.134762977044858E+02)
|
|
Weight for this step=0.13841E+00 0.84996E+01
|
|
beta (00000012)=0.134762977044858E+02
|
|
gamma(00000012)=0.134762977044858E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 12
|
|
z1= 1 -.281917697415597E-06 0.000000000000000E+00
|
|
z1= 2 0.921156892876973E-06 0.000000000000000E+00
|
|
z1= 3 -.228558621650782E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000012)=0.000000000000000E+00
|
|
(calc=0.128064561057340E+02 read=0.128064561057340E+02)
|
|
Weight for this step=0.28437E+00 0.46103E+01
|
|
beta (00000013)=0.128064561057340E+02
|
|
gamma(00000013)=0.128064561057340E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 13
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000013)=0.000000000000000E+00
|
|
(calc=0.134982188405027E+02 read=0.134982188405027E+02)
|
|
Weight for this step=-.13147E+00 -.87085E+01
|
|
beta (00000014)=0.134982188405027E+02
|
|
gamma(00000014)=0.134982188405027E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 14
|
|
z1= 1 0.297585411956989E-06 0.000000000000000E+00
|
|
z1= 2 -.102974030132230E-05 0.000000000000000E+00
|
|
z1= 3 0.209175967422532E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000014)=0.000000000000000E+00
|
|
(calc=0.128005687364523E+02 read=0.128005687364523E+02)
|
|
Weight for this step=-.27553E+00 -.47963E+01
|
|
beta (00000015)=0.128005687364523E+02
|
|
gamma(00000015)=0.128005687364523E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 15
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000015)=0.000000000000000E+00
|
|
(calc=0.134714910841036E+02 read=0.134714910841036E+02)
|
|
Weight for this step=0.12492E+00 0.89379E+01
|
|
beta (00000016)=0.134714910841036E+02
|
|
gamma(00000016)=0.134714910841036E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 16
|
|
z1= 1 -.303854358656359E-06 0.000000000000000E+00
|
|
z1= 2 0.109461702337406E-05 0.000000000000000E+00
|
|
z1= 3 -.192297212726838E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000016)=0.000000000000000E+00
|
|
(calc=0.127887234806921E+02 read=0.127887234806921E+02)
|
|
Weight for this step=0.26721E+00 0.49918E+01
|
|
beta (00000017)=0.127887234806921E+02
|
|
gamma(00000017)=0.127887234806921E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 17
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000017)=0.000000000000000E+00
|
|
(calc=0.134266128561788E+02 read=0.134266128561788E+02)
|
|
Weight for this step=-.11830E+00 -.91595E+01
|
|
beta (00000018)=0.134266128561788E+02
|
|
gamma(00000018)=0.134266128561788E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 18
|
|
z1= 1 0.300869893649525E-06 0.000000000000000E+00
|
|
z1= 2 -.113334599945408E-05 0.000000000000000E+00
|
|
z1= 3 0.177688788793802E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000018)=0.000000000000000E+00
|
|
(calc=0.127825646126019E+02 read=0.127825646126019E+02)
|
|
Weight for this step=-.25960E+00 -.52012E+01
|
|
beta (00000019)=0.127825646126019E+02
|
|
gamma(00000019)=0.127825646126019E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 19
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000019)=0.000000000000000E+00
|
|
(calc=0.134080184983689E+02 read=0.134080184983689E+02)
|
|
Weight for this step=0.11138E+00 0.93546E+01
|
|
beta (00000020)=0.134080184983689E+02
|
|
gamma(00000020)=0.134080184983689E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 20
|
|
z1= 1 -.298949234518926E-06 0.000000000000000E+00
|
|
z1= 2 0.117784470543119E-05 0.000000000000000E+00
|
|
z1= 3 -.164706990139644E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000020)=0.000000000000000E+00
|
|
(calc=0.128007404121685E+02 read=0.128007404121685E+02)
|
|
Weight for this step=0.25223E+00 0.54153E+01
|
|
beta (00000021)=0.128007404121685E+02
|
|
gamma(00000021)=0.128007404121685E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 21
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000021)=0.000000000000000E+00
|
|
(calc=0.134207211905906E+02 read=0.134207211905906E+02)
|
|
Weight for this step=-.10419E+00 -.95215E+01
|
|
beta (00000022)=0.134207211905906E+02
|
|
gamma(00000022)=0.134207211905906E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 22
|
|
z1= 1 0.288982807469069E-06 0.000000000000000E+00
|
|
z1= 2 -.121029811412195E-05 0.000000000000000E+00
|
|
z1= 3 0.153073333256714E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000022)=0.000000000000000E+00
|
|
(calc=0.128225869589224E+02 read=0.128225869589224E+02)
|
|
Weight for this step=-.24495E+00 -.56295E+01
|
|
beta (00000023)=0.128225869589224E+02
|
|
gamma(00000023)=0.128225869589224E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 23
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000023)=0.000000000000000E+00
|
|
(calc=0.134332940013601E+02 read=0.134332940013601E+02)
|
|
Weight for this step=0.96981E-01 0.96782E+01
|
|
beta (00000024)=0.134332940013601E+02
|
|
gamma(00000024)=0.134332940013601E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 24
|
|
z1= 1 -.279647892602200E-06 0.000000000000000E+00
|
|
z1= 2 0.123680828741280E-05 0.000000000000000E+00
|
|
z1= 3 -.142654243316873E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000024)=0.000000000000000E+00
|
|
(calc=0.128311425405846E+02 read=0.128311425405846E+02)
|
|
Weight for this step=0.23782E+00 0.58452E+01
|
|
beta (00000025)=0.128311425405846E+02
|
|
gamma(00000025)=0.128311425405846E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 25
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000025)=0.000000000000000E+00
|
|
(calc=0.134383817111015E+02 read=0.134383817111015E+02)
|
|
Weight for this step=-.89855E-01 -.98342E+01
|
|
beta (00000026)=0.134383817111015E+02
|
|
gamma(00000026)=0.134383817111015E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 26
|
|
z1= 1 0.294179617131628E-06 0.000000000000000E+00
|
|
z1= 2 -.128086543713996E-05 0.000000000000000E+00
|
|
z1= 3 0.133199149916755E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000026)=0.000000000000000E+00
|
|
(calc=0.128182296551777E+02 read=0.128182296551777E+02)
|
|
Weight for this step=-.23072E+00 -.60601E+01
|
|
beta (00000027)=0.128182296551777E+02
|
|
gamma(00000027)=0.128182296551777E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 27
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000027)=0.000000000000000E+00
|
|
(calc=0.134102237461998E+02 read=0.134102237461998E+02)
|
|
Weight for this step=0.82892E-01 0.10000E+02
|
|
beta (00000028)=0.134102237461998E+02
|
|
gamma(00000028)=0.134102237461998E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 28
|
|
z1= 1 -.320976764538173E-06 0.000000000000000E+00
|
|
z1= 2 0.133901508960128E-05 0.000000000000000E+00
|
|
z1= 3 -.124698680014893E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000028)=0.000000000000000E+00
|
|
(calc=0.127846800785557E+02 read=0.127846800785557E+02)
|
|
Weight for this step=0.22384E+00 0.62808E+01
|
|
beta (00000029)=0.127846800785557E+02
|
|
gamma(00000029)=0.127846800785557E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 29
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000029)=0.000000000000000E+00
|
|
(calc=0.134134193817761E+02 read=0.134134193817761E+02)
|
|
Weight for this step=-.75979E-01 -.10168E+02
|
|
beta (00000030)=0.134134193817761E+02
|
|
gamma(00000030)=0.134134193817761E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 30
|
|
z1= 1 0.338562926681949E-06 0.000000000000000E+00
|
|
z1= 2 -.138983355372016E-05 0.000000000000000E+00
|
|
z1= 3 0.116545365572387E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000030)=0.000000000000000E+00
|
|
(calc=0.128191564641331E+02 read=0.128191564641331E+02)
|
|
Weight for this step=-.21629E+00 -.64826E+01
|
|
beta (00000031)=0.128191564641331E+02
|
|
gamma(00000031)=0.128191564641331E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 31
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000031)=0.000000000000000E+00
|
|
(calc=0.134293990269944E+02 read=0.134293990269944E+02)
|
|
Weight for this step=0.68962E-01 0.10309E+02
|
|
beta (00000032)=0.134293990269944E+02
|
|
gamma(00000032)=0.134293990269944E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 32
|
|
z1= 1 -.341784320734338E-06 0.000000000000000E+00
|
|
z1= 2 0.141901826804464E-05 0.000000000000000E+00
|
|
z1= 3 -.109214842777851E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000032)=0.000000000000000E+00
|
|
(calc=0.127671198794421E+02 read=0.127671198794421E+02)
|
|
Weight for this step=0.20906E+00 0.66905E+01
|
|
beta (00000033)=0.127671198794421E+02
|
|
gamma(00000033)=0.127671198794421E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 33
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000033)=0.000000000000000E+00
|
|
(calc=0.133586616949687E+02 read=0.133586616949687E+02)
|
|
Weight for this step=-.62344E-01 -.10500E+02
|
|
beta (00000034)=0.133586616949687E+02
|
|
gamma(00000034)=0.133586616949687E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 34
|
|
z1= 1 0.350529223967853E-06 0.000000000000000E+00
|
|
z1= 2 -.142378112529592E-05 0.000000000000000E+00
|
|
z1= 3 0.102544092984169E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000034)=0.000000000000000E+00
|
|
(calc=0.127703298345296E+02 read=0.127703298345296E+02)
|
|
Weight for this step=-.20207E+00 -.69088E+01
|
|
beta (00000035)=0.127703298345296E+02
|
|
gamma(00000035)=0.127703298345296E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 35
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000035)=0.000000000000000E+00
|
|
(calc=0.134311087248697E+02 read=0.134311087248697E+02)
|
|
Weight for this step=0.55399E-01 0.10630E+02
|
|
beta (00000036)=0.134311087248697E+02
|
|
gamma(00000036)=0.134311087248697E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 36
|
|
z1= 1 -.356806888056338E-06 0.000000000000000E+00
|
|
z1= 2 0.143203887414977E-05 0.000000000000000E+00
|
|
z1= 3 -.958472619747496E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000036)=0.000000000000000E+00
|
|
(calc=0.128060595749493E+02 read=0.128060595749493E+02)
|
|
Weight for this step=0.19404E+00 0.70870E+01
|
|
beta (00000037)=0.128060595749493E+02
|
|
gamma(00000037)=0.128060595749493E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 37
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000037)=0.000000000000000E+00
|
|
(calc=0.133888950734320E+02 read=0.133888950734320E+02)
|
|
Weight for this step=-.48738E-01 -.10786E+02
|
|
beta (00000038)=0.133888950734320E+02
|
|
gamma(00000038)=0.133888950734320E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 38
|
|
z1= 1 0.361313651571884E-06 0.000000000000000E+00
|
|
z1= 2 -.145878397683676E-05 0.000000000000000E+00
|
|
z1= 3 0.901628873529649E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000038)=0.000000000000000E+00
|
|
(calc=0.127549655687250E+02 read=0.127549655687250E+02)
|
|
Weight for this step=-.18717E+00 -.73058E+01
|
|
beta (00000039)=0.127549655687250E+02
|
|
gamma(00000039)=0.127549655687250E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 39
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000039)=0.000000000000000E+00
|
|
(calc=0.133497030376504E+02 read=0.133497030376504E+02)
|
|
Weight for this step=0.42128E-01 0.10947E+02
|
|
beta (00000040)=0.133497030376504E+02
|
|
gamma(00000040)=0.133497030376504E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 40
|
|
z1= 1 -.360471646850512E-06 0.000000000000000E+00
|
|
z1= 2 0.147326742005376E-05 0.000000000000000E+00
|
|
z1= 3 -.847503407324605E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000040)=0.000000000000000E+00
|
|
(calc=0.126995484221466E+02 read=0.126995484221466E+02)
|
|
Weight for this step=0.18007E+00 0.75172E+01
|
|
beta (00000041)=0.126995484221466E+02
|
|
gamma(00000041)=0.126995484221466E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 41
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000041)=0.000000000000000E+00
|
|
(calc=0.133246744291924E+02 read=0.133246744291924E+02)
|
|
Weight for this step=-.35594E-01 -.11120E+02
|
|
beta (00000042)=0.133246744291924E+02
|
|
gamma(00000042)=0.133246744291924E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 42
|
|
z1= 1 0.353902049887939E-06 0.000000000000000E+00
|
|
z1= 2 -.147642381517071E-05 0.000000000000000E+00
|
|
z1= 3 0.794598584147741E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000042)=0.000000000000000E+00
|
|
(calc=0.127528434792520E+02 read=0.127528434792520E+02)
|
|
Weight for this step=-.17254E+00 -.77108E+01
|
|
beta (00000043)=0.127528434792520E+02
|
|
gamma(00000043)=0.127528434792520E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 43
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000043)=0.000000000000000E+00
|
|
(calc=0.133691964378152E+02 read=0.133691964378152E+02)
|
|
Weight for this step=0.28938E-01 0.11223E+02
|
|
beta (00000044)=0.133691964378152E+02
|
|
gamma(00000044)=0.133691964378152E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 44
|
|
z1= 1 -.361257604872376E-06 0.000000000000000E+00
|
|
z1= 2 0.148742638145141E-05 0.000000000000000E+00
|
|
z1= 3 -.746055315154542E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000044)=0.000000000000000E+00
|
|
(calc=0.127653035038065E+02 read=0.127653035038065E+02)
|
|
Weight for this step=0.16516E+00 0.79048E+01
|
|
beta (00000045)=0.127653035038065E+02
|
|
gamma(00000045)=0.127653035038065E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 45
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000045)=0.000000000000000E+00
|
|
(calc=0.134072287447016E+02 read=0.134072287447016E+02)
|
|
Weight for this step=-.22457E-01 -.11349E+02
|
|
beta (00000046)=0.134072287447016E+02
|
|
gamma(00000046)=0.134072287447016E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 46
|
|
z1= 1 0.365517339245987E-06 0.000000000000000E+00
|
|
z1= 2 -.148311795662823E-05 0.000000000000000E+00
|
|
z1= 3 0.699094235000442E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000046)=0.000000000000000E+00
|
|
(calc=0.127671169271027E+02 read=0.127671169271027E+02)
|
|
Weight for this step=-.15751E+00 -.80805E+01
|
|
beta (00000047)=0.127671169271027E+02
|
|
gamma(00000047)=0.127671169271027E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 47
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000047)=0.000000000000000E+00
|
|
(calc=0.133557555202584E+02 read=0.133557555202584E+02)
|
|
Weight for this step=0.16140E-01 0.11504E+02
|
|
beta (00000048)=0.133557555202584E+02
|
|
gamma(00000048)=0.133557555202584E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 48
|
|
z1= 1 -.360573435163967E-06 0.000000000000000E+00
|
|
z1= 2 0.147117097934663E-05 0.000000000000000E+00
|
|
z1= 3 -.657702440464821E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000048)=0.000000000000000E+00
|
|
(calc=0.128436220916604E+02 read=0.128436220916604E+02)
|
|
Weight for this step=0.15049E+00 0.82882E+01
|
|
beta (00000049)=0.128436220916604E+02
|
|
gamma(00000049)=0.128436220916604E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 49
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000049)=0.000000000000000E+00
|
|
(calc=0.134358287671511E+02 read=0.134358287671511E+02)
|
|
Weight for this step=-.97589E-02 -.11540E+02
|
|
beta (00000050)=0.134358287671511E+02
|
|
gamma(00000050)=0.134358287671511E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 50
|
|
z1= 1 0.362310962593736E-06 0.000000000000000E+00
|
|
z1= 2 -.145159981269612E-05 0.000000000000000E+00
|
|
z1= 3 0.619295188684560E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000050)=0.000000000000000E+00
|
|
(calc=0.126967578195664E+02 read=0.126967578195664E+02)
|
|
Weight for this step=-.14348E+00 -.84851E+01
|
|
beta (00000051)=0.126967578195664E+02
|
|
gamma(00000051)=0.126967578195664E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 51
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000051)=0.000000000000000E+00
|
|
(calc=0.132891101660509E+02 read=0.132891101660509E+02)
|
|
Weight for this step=0.35981E-02 0.11774E+02
|
|
beta (00000052)=0.132891101660509E+02
|
|
gamma(00000052)=0.132891101660509E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 52
|
|
z1= 1 -.376125630565153E-06 0.000000000000000E+00
|
|
z1= 2 0.143060252097026E-05 0.000000000000000E+00
|
|
z1= 3 -.582338937991711E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000052)=0.000000000000000E+00
|
|
(calc=0.127443381051993E+02 read=0.127443381051993E+02)
|
|
Weight for this step=0.13637E+00 0.86868E+01
|
|
beta (00000053)=0.127443381051993E+02
|
|
gamma(00000053)=0.127443381051993E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 53
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000053)=0.000000000000000E+00
|
|
(calc=0.133131454589309E+02 read=0.133131454589309E+02)
|
|
Weight for this step=0.25711E-02 -.11831E+02
|
|
beta (00000054)=0.133131454589309E+02
|
|
gamma(00000054)=0.133131454589309E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 54
|
|
z1= 1 0.386800459106014E-06 0.000000000000000E+00
|
|
z1= 2 -.141725972719936E-05 0.000000000000000E+00
|
|
z1= 3 0.549116821518537E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000054)=0.000000000000000E+00
|
|
(calc=0.127443555249114E+02 read=0.127443555249114E+02)
|
|
Weight for this step=-.12953E+00 -.88974E+01
|
|
beta (00000055)=0.127443555249114E+02
|
|
gamma(00000055)=0.127443555249114E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 55
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000055)=0.000000000000000E+00
|
|
(calc=0.133785356211157E+02 read=0.133785356211157E+02)
|
|
Weight for this step=-.86410E-02 0.11902E+02
|
|
beta (00000056)=0.133785356211157E+02
|
|
gamma(00000056)=0.133785356211157E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 56
|
|
z1= 1 -.387040627415299E-06 0.000000000000000E+00
|
|
z1= 2 0.140519834988318E-05 0.000000000000000E+00
|
|
z1= 3 -.515464356968208E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000056)=0.000000000000000E+00
|
|
(calc=0.128320521691373E+02 read=0.128320521691373E+02)
|
|
Weight for this step=0.12208E+00 0.90580E+01
|
|
beta (00000057)=0.128320521691373E+02
|
|
gamma(00000057)=0.128320521691373E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 57
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000057)=0.000000000000000E+00
|
|
(calc=0.134459831606441E+02 read=0.134459831606441E+02)
|
|
Weight for this step=0.14531E-01 -.11947E+02
|
|
beta (00000058)=0.134459831606441E+02
|
|
gamma(00000058)=0.134459831606441E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 58
|
|
z1= 1 0.390204114986809E-06 0.000000000000000E+00
|
|
z1= 2 -.139598460212201E-05 0.000000000000000E+00
|
|
z1= 3 0.484734831516015E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000058)=0.000000000000000E+00
|
|
(calc=0.127464099486932E+02 read=0.127464099486932E+02)
|
|
Weight for this step=-.11491E+00 -.92260E+01
|
|
beta (00000059)=0.127464099486932E+02
|
|
gamma(00000059)=0.127464099486932E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 59
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000059)=0.000000000000000E+00
|
|
(calc=0.133328214749923E+02 read=0.133328214749923E+02)
|
|
Weight for this step=-.20506E-01 0.12129E+02
|
|
beta (00000060)=0.133328214749923E+02
|
|
gamma(00000060)=0.133328214749923E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 60
|
|
z1= 1 -.401214181003145E-06 0.000000000000000E+00
|
|
z1= 2 0.138719729284302E-05 0.000000000000000E+00
|
|
z1= 3 -.457064196602605E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000060)=0.000000000000000E+00
|
|
(calc=0.128405781829885E+02 read=0.128405781829885E+02)
|
|
Weight for this step=0.10794E+00 0.94158E+01
|
|
beta (00000061)=0.128405781829885E+02
|
|
gamma(00000061)=0.128405781829885E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 61
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000061)=0.000000000000000E+00
|
|
(calc=0.133760314070602E+02 read=0.133760314070602E+02)
|
|
Weight for this step=0.26061E-01 -.12114E+02
|
|
beta (00000062)=0.133760314070602E+02
|
|
gamma(00000062)=0.133760314070602E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 62
|
|
z1= 1 0.409863523079257E-06 0.000000000000000E+00
|
|
z1= 2 -.138483409732701E-05 0.000000000000000E+00
|
|
z1= 3 0.432740700417830E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000062)=0.000000000000000E+00
|
|
(calc=0.128441813063261E+02 read=0.128441813063261E+02)
|
|
Weight for this step=-.10144E+00 -.96317E+01
|
|
beta (00000063)=0.128441813063261E+02
|
|
gamma(00000063)=0.128441813063261E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 63
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000063)=0.000000000000000E+00
|
|
(calc=0.134459529144216E+02 read=0.134459529144216E+02)
|
|
Weight for this step=-.31560E-01 0.12125E+02
|
|
beta (00000064)=0.134459529144216E+02
|
|
gamma(00000064)=0.134459529144216E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 64
|
|
z1= 1 -.411269645499471E-06 0.000000000000000E+00
|
|
z1= 2 0.137674803435417E-05 0.000000000000000E+00
|
|
z1= 3 -.408088548818853E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000064)=0.000000000000000E+00
|
|
(calc=0.128237659503222E+02 read=0.128237659503222E+02)
|
|
Weight for this step=0.94458E-01 0.97909E+01
|
|
beta (00000065)=0.128237659503222E+02
|
|
gamma(00000065)=0.128237659503222E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 65
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000065)=0.000000000000000E+00
|
|
(calc=0.134804262353909E+02 read=0.134804262353909E+02)
|
|
Weight for this step=0.37149E-01 -.12213E+02
|
|
beta (00000066)=0.134804262353909E+02
|
|
gamma(00000066)=0.134804262353909E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 66
|
|
z1= 1 0.407175069250016E-06 0.000000000000000E+00
|
|
z1= 2 -.136587456575263E-05 0.000000000000000E+00
|
|
z1= 3 0.383603605599958E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000066)=0.000000000000000E+00
|
|
(calc=0.128621045321382E+02 read=0.128621045321382E+02)
|
|
Weight for this step=-.87147E-01 -.99070E+01
|
|
beta (00000067)=0.128621045321382E+02
|
|
gamma(00000067)=0.128621045321382E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 67
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000067)=0.000000000000000E+00
|
|
(calc=0.133881819731300E+02 read=0.133881819731300E+02)
|
|
Weight for this step=-.42600E-01 0.12296E+02
|
|
beta (00000068)=0.133881819731300E+02
|
|
gamma(00000068)=0.133881819731300E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 68
|
|
z1= 1 -.409205092595402E-06 0.000000000000000E+00
|
|
z1= 2 0.136796547267409E-05 0.000000000000000E+00
|
|
z1= 3 -.364115422872864E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000068)=0.000000000000000E+00
|
|
(calc=0.128152871979624E+02 read=0.128152871979624E+02)
|
|
Weight for this step=0.80722E-01 0.10119E+02
|
|
beta (00000069)=0.128152871979624E+02
|
|
gamma(00000069)=0.128152871979624E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 69
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000069)=0.000000000000000E+00
|
|
(calc=0.133445169394919E+02 read=0.133445169394919E+02)
|
|
Weight for this step=0.47838E-01 -.12329E+02
|
|
beta (00000070)=0.133445169394919E+02
|
|
gamma(00000070)=0.133445169394919E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 70
|
|
z1= 1 0.411971292148456E-06 0.000000000000000E+00
|
|
z1= 2 -.137035001564320E-05 0.000000000000000E+00
|
|
z1= 3 0.345813400894536E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000070)=0.000000000000000E+00
|
|
(calc=0.128069664250304E+02 read=0.128069664250304E+02)
|
|
Weight for this step=-.74250E-01 -.10322E+02
|
|
beta (00000071)=0.128069664250304E+02
|
|
gamma(00000071)=0.128069664250304E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 71
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000071)=0.000000000000000E+00
|
|
(calc=0.134042186544998E+02 read=0.134042186544998E+02)
|
|
Weight for this step=-.52835E-01 0.12319E+02
|
|
beta (00000072)=0.134042186544998E+02
|
|
gamma(00000072)=0.134042186544998E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 72
|
|
z1= 1 -.408660603338227E-06 0.000000000000000E+00
|
|
z1= 2 0.137762322212505E-05 0.000000000000000E+00
|
|
z1= 3 -.326970334696585E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000072)=0.000000000000000E+00
|
|
(calc=0.128627085061726E+02 read=0.128627085061726E+02)
|
|
Weight for this step=0.67442E-01 0.10464E+02
|
|
beta (00000073)=0.128627085061726E+02
|
|
gamma(00000073)=0.128627085061726E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 73
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000073)=0.000000000000000E+00
|
|
(calc=0.133230457670377E+02 read=0.133230457670377E+02)
|
|
Weight for this step=0.57678E-01 -.12305E+02
|
|
beta (00000074)=0.133230457670377E+02
|
|
gamma(00000074)=0.133230457670377E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 74
|
|
z1= 1 0.401753775790725E-06 0.000000000000000E+00
|
|
z1= 2 -.139084960749187E-05 0.000000000000000E+00
|
|
z1= 3 0.313039437789456E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000074)=0.000000000000000E+00
|
|
(calc=0.127141910649933E+02 read=0.127141910649933E+02)
|
|
Weight for this step=-.61354E-01 -.10707E+02
|
|
beta (00000075)=0.127141910649933E+02
|
|
gamma(00000075)=0.127141910649933E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 75
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000075)=0.000000000000000E+00
|
|
(calc=0.133868811025778E+02 read=0.133868811025778E+02)
|
|
Weight for this step=-.62757E-01 0.12343E+02
|
|
beta (00000076)=0.133868811025778E+02
|
|
gamma(00000076)=0.133868811025778E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 76
|
|
z1= 1 -.388509971943943E-06 0.000000000000000E+00
|
|
z1= 2 0.138194001259636E-05 0.000000000000000E+00
|
|
z1= 3 -.294640154357549E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000076)=0.000000000000000E+00
|
|
(calc=0.127641729481324E+02 read=0.127641729481324E+02)
|
|
Weight for this step=0.54281E-01 0.10773E+02
|
|
beta (00000077)=0.127641729481324E+02
|
|
gamma(00000077)=0.127641729481324E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 77
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000077)=0.000000000000000E+00
|
|
(calc=0.133755132283520E+02 read=0.133755132283520E+02)
|
|
Weight for this step=0.67759E-01 -.12392E+02
|
|
beta (00000078)=0.133755132283520E+02
|
|
gamma(00000078)=0.133755132283520E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 78
|
|
z1= 1 0.375629516454097E-06 0.000000000000000E+00
|
|
z1= 2 -.138137834489334E-05 0.000000000000000E+00
|
|
z1= 3 0.278749663002037E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000078)=0.000000000000000E+00
|
|
(calc=0.128262826897066E+02 read=0.128262826897066E+02)
|
|
Weight for this step=-.47557E-01 -.10887E+02
|
|
beta (00000079)=0.128262826897066E+02
|
|
gamma(00000079)=0.128262826897066E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 79
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000079)=0.000000000000000E+00
|
|
(calc=0.133316320024586E+02 read=0.133316320024586E+02)
|
|
Weight for this step=-.72238E-01 0.12367E+02
|
|
beta (00000080)=0.133316320024586E+02
|
|
gamma(00000080)=0.133316320024586E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 80
|
|
z1= 1 -.369271558708093E-06 0.000000000000000E+00
|
|
z1= 2 0.138882311198862E-05 0.000000000000000E+00
|
|
z1= 3 -.266563623741722E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000080)=0.000000000000000E+00
|
|
(calc=0.127857300683316E+02 read=0.127857300683316E+02)
|
|
Weight for this step=0.41280E-01 0.11081E+02
|
|
beta (00000081)=0.127857300683316E+02
|
|
gamma(00000081)=0.127857300683316E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 81
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000081)=0.000000000000000E+00
|
|
(calc=0.133994468312798E+02 read=0.133994468312798E+02)
|
|
Weight for this step=0.76569E-01 -.12328E+02
|
|
beta (00000082)=0.133994468312798E+02
|
|
gamma(00000082)=0.133994468312798E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 82
|
|
z1= 1 0.371447025596431E-06 0.000000000000000E+00
|
|
z1= 2 -.138006940424298E-05 0.000000000000000E+00
|
|
z1= 3 0.253068748144162E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000082)=0.000000000000000E+00
|
|
(calc=0.128396974756363E+02 read=0.128396974756363E+02)
|
|
Weight for this step=-.34728E-01 -.11176E+02
|
|
beta (00000083)=0.128396974756363E+02
|
|
gamma(00000083)=0.128396974756363E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 83
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000083)=0.000000000000000E+00
|
|
(calc=0.133717673234352E+02 read=0.133717673234352E+02)
|
|
Weight for this step=-.80808E-01 0.12296E+02
|
|
beta (00000084)=0.133717673234352E+02
|
|
gamma(00000084)=0.133717673234352E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 84
|
|
z1= 1 -.374363170708601E-06 0.000000000000000E+00
|
|
z1= 2 0.139771086234031E-05 0.000000000000000E+00
|
|
z1= 3 -.241734755116356E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000084)=0.000000000000000E+00
|
|
(calc=0.128117711412726E+02 read=0.128117711412726E+02)
|
|
Weight for this step=0.28471E-01 0.11333E+02
|
|
beta (00000085)=0.128117711412726E+02
|
|
gamma(00000085)=0.128117711412726E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 85
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000085)=0.000000000000000E+00
|
|
(calc=0.133218196445265E+02 read=0.133218196445265E+02)
|
|
Weight for this step=0.84910E-01 -.12254E+02
|
|
beta (00000086)=0.133218196445265E+02
|
|
gamma(00000086)=0.133218196445265E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 86
|
|
z1= 1 0.372583501667776E-06 0.000000000000000E+00
|
|
z1= 2 -.140893756512132E-05 0.000000000000000E+00
|
|
z1= 3 0.231494824799265E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000086)=0.000000000000000E+00
|
|
(calc=0.127545854398070E+02 read=0.127545854398070E+02)
|
|
Weight for this step=-.22289E-01 -.11501E+02
|
|
beta (00000087)=0.127545854398070E+02
|
|
gamma(00000087)=0.127545854398070E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 87
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000087)=0.000000000000000E+00
|
|
(calc=0.133435650534969E+02 read=0.133435650534969E+02)
|
|
Weight for this step=-.88928E-01 0.12209E+02
|
|
beta (00000088)=0.133435650534969E+02
|
|
gamma(00000088)=0.133435650534969E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 88
|
|
z1= 1 -.376393157562778E-06 0.000000000000000E+00
|
|
z1= 2 0.142932462921156E-05 0.000000000000000E+00
|
|
z1= 3 -.220546808921436E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000088)=0.000000000000000E+00
|
|
(calc=0.128929928338142E+02 read=0.128929928338142E+02)
|
|
Weight for this step=0.16028E-01 0.11593E+02
|
|
beta (00000089)=0.128929928338142E+02
|
|
gamma(00000089)=0.128929928338142E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 89
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000089)=0.000000000000000E+00
|
|
(calc=0.133924415621663E+02 read=0.133924415621663E+02)
|
|
Weight for this step=0.91950E-01 -.12047E+02
|
|
beta (00000090)=0.133924415621663E+02
|
|
gamma(00000090)=0.133924415621663E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 90
|
|
z1= 1 0.379767055989910E-06 0.000000000000000E+00
|
|
z1= 2 -.145123236055644E-05 0.000000000000000E+00
|
|
z1= 3 0.211836885420150E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000090)=0.000000000000000E+00
|
|
(calc=0.126659708940546E+02 read=0.126659708940546E+02)
|
|
Weight for this step=-.10036E-01 -.11749E+02
|
|
beta (00000091)=0.126659708940546E+02
|
|
gamma(00000091)=0.126659708940546E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 91
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000091)=0.000000000000000E+00
|
|
(calc=0.133458549987805E+02 read=0.133458549987805E+02)
|
|
Weight for this step=-.96815E-01 0.12131E+02
|
|
beta (00000092)=0.133458549987805E+02
|
|
gamma(00000092)=0.133458549987805E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 92
|
|
z1= 1 -.379719018033702E-06 0.000000000000000E+00
|
|
z1= 2 0.143193023750224E-05 0.000000000000000E+00
|
|
z1= 3 -.200867510875213E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000092)=0.000000000000000E+00
|
|
(calc=0.127909353894367E+02 read=0.127909353894367E+02)
|
|
Weight for this step=0.38671E-02 0.11746E+02
|
|
beta (00000093)=0.127909353894367E+02
|
|
gamma(00000093)=0.127909353894367E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 93
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000093)=0.000000000000000E+00
|
|
(calc=0.133461392367672E+02 read=0.133461392367672E+02)
|
|
Weight for this step=0.10030E+00 -.12056E+02
|
|
beta (00000094)=0.133461392367672E+02
|
|
gamma(00000094)=0.133461392367672E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 94
|
|
z1= 1 0.381773205322721E-06 0.000000000000000E+00
|
|
z1= 2 -.142332721228642E-05 0.000000000000000E+00
|
|
z1= 3 0.192793575825157E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000094)=0.000000000000000E+00
|
|
(calc=0.127865756137354E+02 read=0.127865756137354E+02)
|
|
Weight for this step=0.21164E-02 -.11848E+02
|
|
beta (00000095)=0.127865756137354E+02
|
|
gamma(00000095)=0.127865756137354E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 95
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000095)=0.000000000000000E+00
|
|
(calc=0.133901047924911E+02 read=0.133901047924911E+02)
|
|
Weight for this step=-.10365E+00 0.11977E+02
|
|
beta (00000096)=0.133901047924911E+02
|
|
gamma(00000096)=0.133901047924911E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 96
|
|
z1= 1 -.382127201856847E-06 0.000000000000000E+00
|
|
z1= 2 0.140675853523974E-05 0.000000000000000E+00
|
|
z1= 3 -.184173546151282E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000096)=0.000000000000000E+00
|
|
(calc=0.127921015489387E+02 read=0.127921015489387E+02)
|
|
Weight for this step=-.79825E-02 0.11900E+02
|
|
beta (00000097)=0.127921015489387E+02
|
|
gamma(00000097)=0.127921015489387E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 97
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000097)=0.000000000000000E+00
|
|
(calc=0.134509405706367E+02 read=0.134509405706367E+02)
|
|
Weight for this step=0.10716E+00 -.11928E+02
|
|
beta (00000098)=0.134509405706367E+02
|
|
gamma(00000098)=0.134509405706367E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 98
|
|
z1= 1 0.373403145351647E-06 0.000000000000000E+00
|
|
z1= 2 -.138281054593383E-05 0.000000000000000E+00
|
|
z1= 3 0.175095013450648E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000098)=0.000000000000000E+00
|
|
(calc=0.130150712798412E+02 read=0.130150712798412E+02)
|
|
Weight for this step=0.13693E-01 -.11897E+02
|
|
beta (00000099)=0.130150712798412E+02
|
|
gamma(00000099)=0.130150712798412E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 99
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000099)=0.000000000000000E+00
|
|
(calc=0.136149151643500E+02 read=0.136149151643500E+02)
|
|
Weight for this step=-.10914E+00 0.11729E+02
|
|
beta (00000100)=0.136149151643500E+02
|
|
gamma(00000100)=0.136149151643500E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 100
|
|
z1= 1 -.363954833079651E-06 0.000000000000000E+00
|
|
z1= 2 0.135140212272154E-05 0.000000000000000E+00
|
|
z1= 3 -.167551035958508E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000100)=0.000000000000000E+00
|
|
(calc=0.127969537798584E+02 read=0.127969537798584E+02)
|
|
Weight for this step=-.19199E-01 0.11937E+02
|
|
beta (00000101)=0.127969537798584E+02
|
|
gamma(00000101)=0.127969537798584E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 101
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000101)=0.000000000000000E+00
|
|
(calc=0.132882519555075E+02 read=0.132882519555075E+02)
|
|
Weight for this step=0.11420E+00 -.11868E+02
|
|
beta (00000102)=0.132882519555075E+02
|
|
gamma(00000102)=0.132882519555075E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 102
|
|
z1= 1 0.353242925780323E-06 0.000000000000000E+00
|
|
z1= 2 -.132540844692509E-05 0.000000000000000E+00
|
|
z1= 3 0.161802296489767E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000102)=0.000000000000000E+00
|
|
(calc=0.128815668818400E+02 read=0.128815668818400E+02)
|
|
Weight for this step=0.25008E-01 -.12080E+02
|
|
beta (00000103)=0.128815668818400E+02
|
|
gamma(00000103)=0.128815668818400E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 103
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000103)=0.000000000000000E+00
|
|
(calc=0.134147777072236E+02 read=0.134147777072236E+02)
|
|
Weight for this step=-.11560E+00 0.11629E+02
|
|
beta (00000104)=0.134147777072236E+02
|
|
gamma(00000104)=0.134147777072236E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 104
|
|
z1= 1 -.336068700878081E-06 0.000000000000000E+00
|
|
z1= 2 0.130035026413831E-05 0.000000000000000E+00
|
|
z1= 3 -.156277973105765E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000104)=0.000000000000000E+00
|
|
(calc=0.128778615642414E+02 read=0.128778615642414E+02)
|
|
Weight for this step=-.30522E-01 0.12168E+02
|
|
beta (00000105)=0.128778615642414E+02
|
|
gamma(00000105)=0.128778615642414E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 105
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000105)=0.000000000000000E+00
|
|
(calc=0.132659081263002E+02 read=0.132659081263002E+02)
|
|
Weight for this step=0.11792E+00 -.11495E+02
|
|
beta (00000106)=0.132659081263002E+02
|
|
gamma(00000106)=0.132659081263002E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 106
|
|
z1= 1 0.327013289379958E-06 0.000000000000000E+00
|
|
z1= 2 -.129753999506975E-05 0.000000000000000E+00
|
|
z1= 3 0.152723399666019E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000106)=0.000000000000000E+00
|
|
(calc=0.126949443075630E+02 read=0.126949443075630E+02)
|
|
Weight for this step=0.36314E-01 -.12379E+02
|
|
beta (00000107)=0.126949443075630E+02
|
|
gamma(00000107)=0.126949443075630E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 107
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000107)=0.000000000000000E+00
|
|
(calc=0.133395860015522E+02 read=0.133395860015522E+02)
|
|
Weight for this step=-.12038E+00 0.11374E+02
|
|
beta (00000108)=0.133395860015522E+02
|
|
gamma(00000108)=0.133395860015522E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 108
|
|
z1= 1 -.308018078545142E-06 0.000000000000000E+00
|
|
z1= 2 0.126921008255067E-05 0.000000000000000E+00
|
|
z1= 3 -.145903650463620E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000108)=0.000000000000000E+00
|
|
(calc=0.128482705661396E+02 read=0.128482705661396E+02)
|
|
Weight for this step=-.41319E-01 0.12339E+02
|
|
beta (00000109)=0.128482705661396E+02
|
|
gamma(00000109)=0.128482705661396E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 109
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000109)=0.000000000000000E+00
|
|
(calc=0.133217711669384E+02 read=0.133217711669384E+02)
|
|
Weight for this step=0.12192E+00 -.11180E+02
|
|
beta (00000110)=0.133217711669384E+02
|
|
gamma(00000110)=0.133217711669384E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 110
|
|
z1= 1 0.283648459603245E-06 0.000000000000000E+00
|
|
z1= 2 -.124051543318968E-05 0.000000000000000E+00
|
|
z1= 3 0.141248766320469E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000110)=0.000000000000000E+00
|
|
(calc=0.126967061895085E+02 read=0.126967061895085E+02)
|
|
Weight for this step=0.46681E-01 -.12450E+02
|
|
beta (00000111)=0.126967061895085E+02
|
|
gamma(00000111)=0.126967061895085E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 111
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000111)=0.000000000000000E+00
|
|
(calc=0.135206935220494E+02 read=0.135206935220494E+02)
|
|
Weight for this step=-.12453E+00 0.11089E+02
|
|
beta (00000112)=0.135206935220494E+02
|
|
gamma(00000112)=0.135206935220494E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 112
|
|
z1= 1 -.256864003219195E-06 0.000000000000000E+00
|
|
z1= 2 0.118176854277090E-05 0.000000000000000E+00
|
|
z1= 3 -.133230978099493E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000112)=0.000000000000000E+00
|
|
(calc=0.129787454282089E+02 read=0.129787454282089E+02)
|
|
Weight for this step=-.50685E-01 0.12228E+02
|
|
beta (00000113)=0.129787454282089E+02
|
|
gamma(00000113)=0.129787454282089E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 113
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000113)=0.000000000000000E+00
|
|
(calc=0.134372012459742E+02 read=0.134372012459742E+02)
|
|
Weight for this step=0.12623E+00 -.10935E+02
|
|
beta (00000114)=0.134372012459742E+02
|
|
gamma(00000114)=0.134372012459742E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 114
|
|
z1= 1 0.244636859705861E-06 0.000000000000000E+00
|
|
z1= 2 -.115227036997167E-05 0.000000000000000E+00
|
|
z1= 3 0.129013752388221E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000114)=0.000000000000000E+00
|
|
(calc=0.127033496681572E+02 read=0.127033496681572E+02)
|
|
Weight for this step=0.55919E-01 -.12343E+02
|
|
beta (00000115)=0.127033496681572E+02
|
|
gamma(00000115)=0.127033496681572E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 115
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000115)=0.000000000000000E+00
|
|
(calc=0.135069865158704E+02 read=0.135069865158704E+02)
|
|
Weight for this step=-.12967E+00 0.10931E+02
|
|
beta (00000116)=0.135069865158704E+02
|
|
gamma(00000116)=0.135069865158704E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 116
|
|
z1= 1 -.219912628478952E-06 0.000000000000000E+00
|
|
z1= 2 0.108452654905682E-05 0.000000000000000E+00
|
|
z1= 3 -.122157825431331E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000116)=0.000000000000000E+00
|
|
(calc=0.127083383061776E+02 read=0.127083383061776E+02)
|
|
Weight for this step=-.59686E-01 0.12139E+02
|
|
beta (00000117)=0.127083383061776E+02
|
|
gamma(00000117)=0.127083383061776E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 117
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000117)=0.000000000000000E+00
|
|
(calc=0.132506521961417E+02 read=0.132506521961417E+02)
|
|
Weight for this step=0.13379E+00 -.10992E+02
|
|
beta (00000118)=0.132506521961417E+02
|
|
gamma(00000118)=0.132506521961417E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 118
|
|
z1= 1 0.200016961818294E-06 0.000000000000000E+00
|
|
z1= 2 -.103772241404358E-05 0.000000000000000E+00
|
|
z1= 3 0.118300356893247E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000118)=0.000000000000000E+00
|
|
(calc=0.127948297849974E+02 read=0.127948297849974E+02)
|
|
Weight for this step=0.64682E-01 -.12185E+02
|
|
beta (00000119)=0.127948297849974E+02
|
|
gamma(00000119)=0.127948297849974E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 119
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000119)=0.000000000000000E+00
|
|
(calc=0.133198414949376E+02 read=0.133198414949376E+02)
|
|
Weight for this step=-.13430E+00 0.10760E+02
|
|
beta (00000120)=0.133198414949376E+02
|
|
gamma(00000120)=0.133198414949376E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 120
|
|
z1= 1 -.179696860330453E-06 0.000000000000000E+00
|
|
z1= 2 0.995052870292345E-06 0.000000000000000E+00
|
|
z1= 3 -.114618197098762E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000120)=0.000000000000000E+00
|
|
(calc=0.125251037201406E+02 read=0.125251037201406E+02)
|
|
Weight for this step=-.69540E-01 0.12233E+02
|
|
beta (00000121)=0.125251037201406E+02
|
|
gamma(00000121)=0.125251037201406E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 121
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000121)=0.000000000000000E+00
|
|
(calc=0.131931004350965E+02 read=0.131931004350965E+02)
|
|
Weight for this step=0.13821E+00 -.10804E+02
|
|
beta (00000122)=0.131931004350965E+02
|
|
gamma(00000122)=0.131931004350965E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 122
|
|
z1= 1 0.157050003878187E-06 0.000000000000000E+00
|
|
z1= 2 -.936636090655130E-06 0.000000000000000E+00
|
|
z1= 3 0.109870704163155E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000122)=0.000000000000000E+00
|
|
(calc=0.127053179605588E+02 read=0.127053179605588E+02)
|
|
Weight for this step=0.73696E-01 -.12150E+02
|
|
beta (00000123)=0.127053179605588E+02
|
|
gamma(00000123)=0.127053179605588E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 123
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000123)=0.000000000000000E+00
|
|
(calc=0.133819583568168E+02 read=0.133819583568168E+02)
|
|
Weight for this step=-.13876E+00 0.10593E+02
|
|
beta (00000124)=0.133819583568168E+02
|
|
gamma(00000124)=0.133819583568168E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 124
|
|
z1= 1 -.145357734462014E-06 0.000000000000000E+00
|
|
z1= 2 0.868061269802714E-06 0.000000000000000E+00
|
|
z1= 3 -.105066557291688E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000124)=0.000000000000000E+00
|
|
(calc=0.126842085207324E+02 read=0.126842085207324E+02)
|
|
Weight for this step=-.77549E-01 0.12054E+02
|
|
beta (00000125)=0.126842085207324E+02
|
|
gamma(00000125)=0.126842085207324E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 125
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000125)=0.000000000000000E+00
|
|
(calc=0.133805649366138E+02 read=0.133805649366138E+02)
|
|
Weight for this step=0.14144E+00 -.10553E+02
|
|
beta (00000126)=0.133805649366138E+02
|
|
gamma(00000126)=0.133805649366138E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 126
|
|
z1= 1 0.130462991909094E-06 0.000000000000000E+00
|
|
z1= 2 -.800554829065415E-06 0.000000000000000E+00
|
|
z1= 3 0.100410644616621E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000126)=0.000000000000000E+00
|
|
(calc=0.128061227389666E+02 read=0.128061227389666E+02)
|
|
Weight for this step=0.81221E-01 -.11943E+02
|
|
beta (00000127)=0.128061227389666E+02
|
|
gamma(00000127)=0.128061227389666E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 127
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000127)=0.000000000000000E+00
|
|
(calc=0.132907868245130E+02 read=0.132907868245130E+02)
|
|
Weight for this step=-.14270E+00 0.10416E+02
|
|
beta (00000128)=0.132907868245130E+02
|
|
gamma(00000128)=0.132907868245130E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 128
|
|
z1= 1 -.108976730496633E-06 0.000000000000000E+00
|
|
z1= 2 0.745894295548931E-06 0.000000000000000E+00
|
|
z1= 3 -.973689132445747E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000128)=0.000000000000000E+00
|
|
(calc=0.127747959183102E+02 read=0.127747959183102E+02)
|
|
Weight for this step=-.86071E-01 0.12020E+02
|
|
beta (00000129)=0.127747959183102E+02
|
|
gamma(00000129)=0.127747959183102E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 129
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000129)=0.000000000000000E+00
|
|
(calc=0.132951242339266E+02 read=0.132951242339266E+02)
|
|
Weight for this step=0.14311E+00 -.10221E+02
|
|
beta (00000130)=0.132951242339266E+02
|
|
gamma(00000130)=0.132951242339266E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 130
|
|
z1= 1 0.920587140817043E-07 0.000000000000000E+00
|
|
z1= 2 -.677405282911215E-06 0.000000000000000E+00
|
|
z1= 3 0.941492002019327E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000130)=0.000000000000000E+00
|
|
(calc=0.127446363909353E+02 read=0.127446363909353E+02)
|
|
Weight for this step=0.90518E-01 -.12053E+02
|
|
beta (00000131)=0.127446363909353E+02
|
|
gamma(00000131)=0.127446363909353E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 131
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000131)=0.000000000000000E+00
|
|
(calc=0.131433407621370E+02 read=0.131433407621370E+02)
|
|
Weight for this step=-.14370E+00 0.10043E+02
|
|
beta (00000132)=0.131433407621370E+02
|
|
gamma(00000132)=0.131433407621370E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 132
|
|
z1= 1 -.716042326161237E-07 0.000000000000000E+00
|
|
z1= 2 0.604217574758906E-06 0.000000000000000E+00
|
|
z1= 3 -.917833925590113E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000132)=0.000000000000000E+00
|
|
(calc=0.127576269161865E+02 read=0.127576269161865E+02)
|
|
Weight for this step=-.95693E-01 0.12188E+02
|
|
beta (00000133)=0.127576269161865E+02
|
|
gamma(00000133)=0.127576269161865E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 133
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000133)=0.000000000000000E+00
|
|
(calc=0.134670396248101E+02 read=0.134670396248101E+02)
|
|
Weight for this step=0.14218E+00 -.97217E+01
|
|
beta (00000134)=0.134670396248101E+02
|
|
gamma(00000134)=0.134670396248101E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 134
|
|
z1= 1 0.500940044599520E-07 0.000000000000000E+00
|
|
z1= 2 -.518604529950158E-06 0.000000000000000E+00
|
|
z1= 3 0.869379152367554E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000134)=0.000000000000000E+00
|
|
(calc=0.127762096765290E+02 read=0.127762096765290E+02)
|
|
Weight for this step=0.98285E-01 -.12018E+02
|
|
beta (00000135)=0.127762096765290E+02
|
|
gamma(00000135)=0.127762096765290E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 135
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000135)=0.000000000000000E+00
|
|
(calc=0.134260243123721E+02 read=0.134260243123721E+02)
|
|
Weight for this step=-.14389E+00 0.96317E+01
|
|
beta (00000136)=0.134260243123721E+02
|
|
gamma(00000136)=0.134260243123721E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 136
|
|
z1= 1 -.282748881853551E-07 0.000000000000000E+00
|
|
z1= 2 0.433753171752383E-06 0.000000000000000E+00
|
|
z1= 3 -.830339421216032E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000136)=0.000000000000000E+00
|
|
(calc=0.129114138411252E+02 read=0.129114138411252E+02)
|
|
Weight for this step=-.10126E+00 0.11906E+02
|
|
beta (00000137)=0.129114138411252E+02
|
|
gamma(00000137)=0.129114138411252E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 137
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000137)=0.000000000000000E+00
|
|
(calc=0.133836428113206E+02 read=0.133836428113206E+02)
|
|
Weight for this step=0.14357E+00 -.94119E+01
|
|
beta (00000138)=0.133836428113206E+02
|
|
gamma(00000138)=0.133836428113206E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 138
|
|
z1= 1 0.210099656530911E-08 0.000000000000000E+00
|
|
z1= 2 -.364009318607747E-06 0.000000000000000E+00
|
|
z1= 3 0.809097097954074E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000138)=0.000000000000000E+00
|
|
(calc=0.129445226704384E+02 read=0.129445226704384E+02)
|
|
Weight for this step=0.10541E+00 -.11946E+02
|
|
beta (00000139)=0.129445226704384E+02
|
|
gamma(00000139)=0.129445226704384E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 139
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000139)=0.000000000000000E+00
|
|
(calc=0.135471024985667E+02 read=0.135471024985667E+02)
|
|
Weight for this step=-.14219E+00 0.91271E+01
|
|
beta (00000140)=0.135471024985667E+02
|
|
gamma(00000140)=0.135471024985667E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 140
|
|
z1= 1 0.154140975646344E-07 0.000000000000000E+00
|
|
z1= 2 0.296632525290797E-06 0.000000000000000E+00
|
|
z1= 3 -.782250478209451E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000140)=0.000000000000000E+00
|
|
(calc=0.127278446741130E+02 read=0.127278446741130E+02)
|
|
Weight for this step=-.10827E+00 0.11856E+02
|
|
beta (00000141)=0.127278446741130E+02
|
|
gamma(00000141)=0.127278446741130E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 141
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000141)=0.000000000000000E+00
|
|
(calc=0.134909264708063E+02 read=0.134909264708063E+02)
|
|
Weight for this step=0.14484E+00 -.91049E+01
|
|
beta (00000142)=0.134909264708063E+02
|
|
gamma(00000142)=0.134909264708063E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 142
|
|
z1= 1 -.426478923307248E-07 0.000000000000000E+00
|
|
z1= 2 -.211168451976613E-06 0.000000000000000E+00
|
|
z1= 3 0.747283926774506E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000142)=0.000000000000000E+00
|
|
(calc=0.127388148861879E+02 read=0.127388148861879E+02)
|
|
Weight for this step=0.10985E+00 -.11627E+02
|
|
beta (00000143)=0.127388148861879E+02
|
|
gamma(00000143)=0.127388148861879E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 143
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000143)=0.000000000000000E+00
|
|
(calc=0.134409885814349E+02 read=0.134409885814349E+02)
|
|
Weight for this step=-.14683E+00 0.90449E+01
|
|
beta (00000144)=0.134409885814349E+02
|
|
gamma(00000144)=0.134409885814349E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 144
|
|
z1= 1 0.747484597842484E-07 0.000000000000000E+00
|
|
z1= 2 0.144201699034879E-06 0.000000000000000E+00
|
|
z1= 3 -.715012006305781E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000144)=0.000000000000000E+00
|
|
(calc=0.129263333353800E+02 read=0.129263333353800E+02)
|
|
Weight for this step=-.11193E+00 0.11460E+02
|
|
beta (00000145)=0.129263333353800E+02
|
|
gamma(00000145)=0.129263333353800E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 145
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000145)=0.000000000000000E+00
|
|
(calc=0.133955255823472E+02 read=0.133955255823472E+02)
|
|
Weight for this step=0.14613E+00 -.88247E+01
|
|
beta (00000146)=0.133955255823472E+02
|
|
gamma(00000146)=0.133955255823472E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 146
|
|
z1= 1 -.106416011726954E-06 0.000000000000000E+00
|
|
z1= 2 -.825984373834052E-07 0.000000000000000E+00
|
|
z1= 3 0.694954061214565E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000146)=0.000000000000000E+00
|
|
(calc=0.128294728964879E+02 read=0.128294728964879E+02)
|
|
Weight for this step=0.11581E+00 -.11490E+02
|
|
beta (00000147)=0.128294728964879E+02
|
|
gamma(00000147)=0.128294728964879E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 147
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000147)=0.000000000000000E+00
|
|
(calc=0.136375244342276E+02 read=0.136375244342276E+02)
|
|
Weight for this step=-.14577E+00 0.86278E+01
|
|
beta (00000148)=0.136375244342276E+02
|
|
gamma(00000148)=0.136375244342276E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 148
|
|
z1= 1 0.143486239325254E-06 0.000000000000000E+00
|
|
z1= 2 0.312285877524052E-07 0.000000000000000E+00
|
|
z1= 3 -.656989240948941E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000148)=0.000000000000000E+00
|
|
(calc=0.127202999421697E+02 read=0.127202999421697E+02)
|
|
Weight for this step=-.11658E+00 0.11223E+02
|
|
beta (00000149)=0.127202999421697E+02
|
|
gamma(00000149)=0.127202999421697E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 149
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000149)=0.000000000000000E+00
|
|
(calc=0.135407524599554E+02 read=0.135407524599554E+02)
|
|
Weight for this step=0.14940E+00 -.86724E+01
|
|
beta (00000150)=0.135407524599554E+02
|
|
gamma(00000150)=0.135407524599554E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 150
|
|
z1= 1 -.176464841550512E-06 0.000000000000000E+00
|
|
z1= 2 0.294639030420886E-07 0.000000000000000E+00
|
|
z1= 3 0.618160732530675E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000150)=0.000000000000000E+00
|
|
(calc=0.126679029120049E+02 read=0.126679029120049E+02)
|
|
Weight for this step=0.11738E+00 -.10963E+02
|
|
beta (00000151)=0.126679029120049E+02
|
|
gamma(00000151)=0.126679029120049E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 151
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000151)=0.000000000000000E+00
|
|
(calc=0.134957589029234E+02 read=0.134957589029234E+02)
|
|
Weight for this step=-.15276E+00 0.87035E+01
|
|
beta (00000152)=0.134957589029234E+02
|
|
gamma(00000152)=0.134957589029234E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 152
|
|
z1= 1 0.207635163850233E-06 0.000000000000000E+00
|
|
z1= 2 -.828628765221773E-07 0.000000000000000E+00
|
|
z1= 3 -.579888942995532E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000152)=0.000000000000000E+00
|
|
(calc=0.125471926645662E+02 read=0.125471926645662E+02)
|
|
Weight for this step=-.11823E+00 0.10712E+02
|
|
beta (00000153)=0.125471926645662E+02
|
|
gamma(00000153)=0.125471926645662E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 153
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000153)=0.000000000000000E+00
|
|
(calc=0.132884937185102E+02 read=0.132884937185102E+02)
|
|
Weight for this step=0.15729E+00 -.88026E+01
|
|
beta (00000154)=0.132884937185102E+02
|
|
gamma(00000154)=0.132884937185102E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 154
|
|
z1= 1 -.241500095632115E-06 0.000000000000000E+00
|
|
z1= 2 0.142512180870049E-06 0.000000000000000E+00
|
|
z1= 3 0.545223355858780E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000154)=0.000000000000000E+00
|
|
(calc=0.128413078290597E+02 read=0.128413078290597E+02)
|
|
Weight for this step=0.12005E+00 -.10548E+02
|
|
beta (00000155)=0.128413078290597E+02
|
|
gamma(00000155)=0.128413078290597E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 155
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000155)=0.000000000000000E+00
|
|
(calc=0.133879541207903E+02 read=0.133879541207903E+02)
|
|
Weight for this step=-.15582E+00 0.85715E+01
|
|
beta (00000156)=0.133879541207903E+02
|
|
gamma(00000156)=0.133879541207903E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 156
|
|
z1= 1 0.269820176843224E-06 0.000000000000000E+00
|
|
z1= 2 -.195535615146129E-06 0.000000000000000E+00
|
|
z1= 3 -.518984216730662E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000156)=0.000000000000000E+00
|
|
(calc=0.128086777078369E+02 read=0.128086777078369E+02)
|
|
Weight for this step=-.12341E+00 0.10537E+02
|
|
beta (00000157)=0.128086777078369E+02
|
|
gamma(00000157)=0.128086777078369E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 157
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000157)=0.000000000000000E+00
|
|
(calc=0.135343396812008E+02 read=0.135343396812008E+02)
|
|
Weight for this step=0.15574E+00 -.84206E+01
|
|
beta (00000158)=0.135343396812008E+02
|
|
gamma(00000158)=0.135343396812008E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 158
|
|
z1= 1 -.298275948794335E-06 0.000000000000000E+00
|
|
z1= 2 0.248966304255581E-06 0.000000000000000E+00
|
|
z1= 3 0.482114624317746E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000158)=0.000000000000000E+00
|
|
(calc=0.127047568736182E+02 read=0.127047568736182E+02)
|
|
Weight for this step=0.12494E+00 -.10379E+02
|
|
beta (00000159)=0.127047568736182E+02
|
|
gamma(00000159)=0.127047568736182E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 159
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000159)=0.000000000000000E+00
|
|
(calc=0.132659525194084E+02 read=0.132659525194084E+02)
|
|
Weight for this step=-.15866E+00 0.84357E+01
|
|
beta (00000160)=0.132659525194084E+02
|
|
gamma(00000160)=0.132659525194084E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 160
|
|
z1= 1 0.326041822706034E-06 0.000000000000000E+00
|
|
z1= 2 -.313547989584098E-06 0.000000000000000E+00
|
|
z1= 3 -.451845186124902E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000160)=0.000000000000000E+00
|
|
(calc=0.125635456867439E+02 read=0.125635456867439E+02)
|
|
Weight for this step=-.12812E+00 0.10356E+02
|
|
beta (00000161)=0.125635456867439E+02
|
|
gamma(00000161)=0.125635456867439E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 161
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000161)=0.000000000000000E+00
|
|
(calc=0.133039633284584E+02 read=0.133039633284584E+02)
|
|
Weight for this step=0.16003E+00 -.83678E+01
|
|
beta (00000162)=0.133039633284584E+02
|
|
gamma(00000162)=0.133039633284584E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 162
|
|
z1= 1 -.341117347757002E-06 0.000000000000000E+00
|
|
z1= 2 0.380000502966585E-06 0.000000000000000E+00
|
|
z1= 3 0.423000653483744E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000162)=0.000000000000000E+00
|
|
(calc=0.127495020522159E+02 read=0.127495020522159E+02)
|
|
Weight for this step=0.12949E+00 -.10191E+02
|
|
beta (00000163)=0.127495020522159E+02
|
|
gamma(00000163)=0.127495020522159E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 163
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000163)=0.000000000000000E+00
|
|
(calc=0.131751256591847E+02 read=0.131751256591847E+02)
|
|
Weight for this step=-.15954E+00 0.82084E+01
|
|
beta (00000164)=0.131751256591847E+02
|
|
gamma(00000164)=0.131751256591847E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 164
|
|
z1= 1 0.358750322765432E-06 0.000000000000000E+00
|
|
z1= 2 -.447155730302288E-06 0.000000000000000E+00
|
|
z1= 3 -.411031749346049E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000164)=0.000000000000000E+00
|
|
(calc=0.126038904677211E+02 read=0.126038904677211E+02)
|
|
Weight for this step=-.13386E+00 0.10270E+02
|
|
beta (00000165)=0.126038904677211E+02
|
|
gamma(00000165)=0.126038904677211E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 165
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000165)=0.000000000000000E+00
|
|
(calc=0.134358653971800E+02 read=0.134358653971800E+02)
|
|
Weight for this step=0.15900E+00 -.80471E+01
|
|
beta (00000166)=0.134358653971800E+02
|
|
gamma(00000166)=0.134358653971800E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 166
|
|
z1= 1 -.363865760978638E-06 0.000000000000000E+00
|
|
z1= 2 0.491400649710164E-06 0.000000000000000E+00
|
|
z1= 3 0.389753150249627E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000166)=0.000000000000000E+00
|
|
(calc=0.127184584998628E+02 read=0.127184584998628E+02)
|
|
Weight for this step=0.13392E+00 -.10026E+02
|
|
beta (00000167)=0.127184584998628E+02
|
|
gamma(00000167)=0.127184584998628E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 167
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000167)=0.000000000000000E+00
|
|
(calc=0.134466489192027E+02 read=0.134466489192027E+02)
|
|
Weight for this step=-.16029E+00 0.79850E+01
|
|
beta (00000168)=0.134466489192027E+02
|
|
gamma(00000168)=0.134466489192027E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 168
|
|
z1= 1 0.375224016277962E-06 0.000000000000000E+00
|
|
z1= 2 -.530232530982286E-06 0.000000000000000E+00
|
|
z1= 3 -.379403085737479E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000168)=0.000000000000000E+00
|
|
(calc=0.127723884691224E+02 read=0.127723884691224E+02)
|
|
Weight for this step=-.13506E+00 0.98719E+01
|
|
beta (00000169)=0.127723884691224E+02
|
|
gamma(00000169)=0.127723884691224E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 169
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000169)=0.000000000000000E+00
|
|
(calc=0.132923318105464E+02 read=0.132923318105464E+02)
|
|
Weight for this step=0.16106E+00 -.79006E+01
|
|
beta (00000170)=0.132923318105464E+02
|
|
gamma(00000170)=0.132923318105464E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 170
|
|
z1= 1 -.391443385787480E-06 0.000000000000000E+00
|
|
z1= 2 0.577785297559461E-06 0.000000000000000E+00
|
|
z1= 3 0.375438362727501E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000170)=0.000000000000000E+00
|
|
(calc=0.127568566893478E+02 read=0.127568566893478E+02)
|
|
Weight for this step=0.13830E+00 -.98748E+01
|
|
beta (00000171)=0.127568566893478E+02
|
|
gamma(00000171)=0.127568566893478E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 171
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000171)=0.000000000000000E+00
|
|
(calc=0.133681883094181E+02 read=0.133681883094181E+02)
|
|
Weight for this step=-.15994E+00 0.77255E+01
|
|
beta (00000172)=0.133681883094181E+02
|
|
gamma(00000172)=0.133681883094181E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 172
|
|
z1= 1 0.411371150653038E-06 0.000000000000000E+00
|
|
z1= 2 -.634873761258612E-06 0.000000000000000E+00
|
|
z1= 3 -.371256942782182E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000172)=0.000000000000000E+00
|
|
(calc=0.127960417302967E+02 read=0.127960417302967E+02)
|
|
Weight for this step=-.14039E+00 0.98015E+01
|
|
beta (00000173)=0.127960417302967E+02
|
|
gamma(00000173)=0.127960417302967E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 173
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000173)=0.000000000000000E+00
|
|
(calc=0.134741900471903E+02 read=0.134741900471903E+02)
|
|
Weight for this step=0.15915E+00 -.75695E+01
|
|
beta (00000174)=0.134741900471903E+02
|
|
gamma(00000174)=0.134741900471903E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 174
|
|
z1= 1 -.421300142582813E-06 0.000000000000000E+00
|
|
z1= 2 0.681455693916537E-06 0.000000000000000E+00
|
|
z1= 3 0.357095407250748E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000174)=0.000000000000000E+00
|
|
(calc=0.128361178481879E+02 read=0.128361178481879E+02)
|
|
Weight for this step=0.14162E+00 -.96759E+01
|
|
beta (00000175)=0.128361178481879E+02
|
|
gamma(00000175)=0.128361178481879E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 175
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000175)=0.000000000000000E+00
|
|
(calc=0.133955772904282E+02 read=0.133955772904282E+02)
|
|
Weight for this step=-.15908E+00 0.74524E+01
|
|
beta (00000176)=0.133955772904282E+02
|
|
gamma(00000176)=0.133955772904282E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 176
|
|
z1= 1 0.437586844400327E-06 0.000000000000000E+00
|
|
z1= 2 -.739431561178728E-06 0.000000000000000E+00
|
|
z1= 3 -.335493395881408E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000176)=0.000000000000000E+00
|
|
(calc=0.127371820873151E+02 read=0.127371820873151E+02)
|
|
Weight for this step=-.14403E+00 0.96360E+01
|
|
beta (00000177)=0.127371820873151E+02
|
|
gamma(00000177)=0.127371820873151E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 177
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000177)=0.000000000000000E+00
|
|
(calc=0.133609367412272E+02 read=0.133609367412272E+02)
|
|
Weight for this step=0.15915E+00 -.73424E+01
|
|
beta (00000178)=0.133609367412272E+02
|
|
gamma(00000178)=0.133609367412272E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 178
|
|
z1= 1 -.455401051569973E-06 0.000000000000000E+00
|
|
z1= 2 0.791255630966630E-06 0.000000000000000E+00
|
|
z1= 3 0.312199236370041E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000178)=0.000000000000000E+00
|
|
(calc=0.126228648204348E+02 read=0.126228648204348E+02)
|
|
Weight for this step=0.14566E+00 -.95459E+01
|
|
beta (00000179)=0.126228648204348E+02
|
|
gamma(00000179)=0.126228648204348E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 179
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000179)=0.000000000000000E+00
|
|
(calc=0.134189388232718E+02 read=0.134189388232718E+02)
|
|
Weight for this step=-.16014E+00 0.72767E+01
|
|
beta (00000180)=0.134189388232718E+02
|
|
gamma(00000180)=0.134189388232718E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 180
|
|
z1= 1 0.470850843370694E-06 0.000000000000000E+00
|
|
z1= 2 -.847009135181652E-06 0.000000000000000E+00
|
|
z1= 3 -.280504011437932E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000180)=0.000000000000000E+00
|
|
(calc=0.127642324869603E+02 read=0.127642324869603E+02)
|
|
Weight for this step=-.14537E+00 0.93345E+01
|
|
beta (00000181)=0.127642324869603E+02
|
|
gamma(00000181)=0.127642324869603E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 181
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000181)=0.000000000000000E+00
|
|
(calc=0.134409155381448E+02 read=0.134409155381448E+02)
|
|
Weight for this step=0.16017E+00 -.71712E+01
|
|
beta (00000182)=0.134409155381448E+02
|
|
gamma(00000182)=0.134409155381448E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 182
|
|
z1= 1 -.495732831673479E-06 0.000000000000000E+00
|
|
z1= 2 0.910779302113173E-06 0.000000000000000E+00
|
|
z1= 3 0.252769582888933E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000182)=0.000000000000000E+00
|
|
(calc=0.128179032870292E+02 read=0.128179032870292E+02)
|
|
Weight for this step=0.14638E+00 -.92138E+01
|
|
beta (00000183)=0.128179032870292E+02
|
|
gamma(00000183)=0.128179032870292E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 183
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000183)=0.000000000000000E+00
|
|
(calc=0.135090379866188E+02 read=0.135090379866188E+02)
|
|
Weight for this step=-.15976E+00 0.70492E+01
|
|
beta (00000184)=0.135090379866188E+02
|
|
gamma(00000184)=0.135090379866188E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 184
|
|
z1= 1 0.506313380926621E-06 0.000000000000000E+00
|
|
z1= 2 -.984229772027783E-06 0.000000000000000E+00
|
|
z1= 3 -.229157542438511E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000184)=0.000000000000000E+00
|
|
(calc=0.129152257419814E+02 read=0.129152257419814E+02)
|
|
Weight for this step=-.14716E+00 0.90840E+01
|
|
beta (00000185)=0.129152257419814E+02
|
|
gamma(00000185)=0.129152257419814E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 185
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000185)=0.000000000000000E+00
|
|
(calc=0.133109443733883E+02 read=0.133109443733883E+02)
|
|
Weight for this step=0.15895E+00 -.69129E+01
|
|
beta (00000186)=0.133109443733883E+02
|
|
gamma(00000186)=0.133109443733883E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 186
|
|
z1= 1 -.524543938966524E-06 0.000000000000000E+00
|
|
z1= 2 0.107143643765241E-05 0.000000000000000E+00
|
|
z1= 3 0.208359555710289E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000186)=0.000000000000000E+00
|
|
(calc=0.127266789412962E+02 read=0.127266789412962E+02)
|
|
Weight for this step=0.15112E+00 -.91539E+01
|
|
beta (00000187)=0.127266789412962E+02
|
|
gamma(00000187)=0.127266789412962E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 187
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000187)=0.000000000000000E+00
|
|
(calc=0.134537882668055E+02 read=0.134537882668055E+02)
|
|
Weight for this step=-.15775E+00 0.67595E+01
|
|
beta (00000188)=0.134537882668055E+02
|
|
gamma(00000188)=0.134537882668055E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 188
|
|
z1= 1 0.531954343362798E-06 0.000000000000000E+00
|
|
z1= 2 -.113341419523476E-05 0.000000000000000E+00
|
|
z1= 3 -.185796104338828E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000188)=0.000000000000000E+00
|
|
(calc=0.129513184374789E+02 read=0.129513184374789E+02)
|
|
Weight for this step=-.15113E+00 0.89880E+01
|
|
beta (00000189)=0.129513184374789E+02
|
|
gamma(00000189)=0.129513184374789E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 189
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000189)=0.000000000000000E+00
|
|
(calc=0.137067231672941E+02 read=0.137067231672941E+02)
|
|
Weight for this step=0.15554E+00 -.65674E+01
|
|
beta (00000190)=0.137067231672941E+02
|
|
gamma(00000190)=0.137067231672941E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 190
|
|
z1= 1 -.531471382116987E-06 0.000000000000000E+00
|
|
z1= 2 0.116532745453107E-05 0.000000000000000E+00
|
|
z1= 3 0.163472147117292E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000190)=0.000000000000000E+00
|
|
(calc=0.128651888494620E+02 read=0.128651888494620E+02)
|
|
Weight for this step=0.15071E+00 -.88063E+01
|
|
beta (00000191)=0.128651888494620E+02
|
|
gamma(00000191)=0.128651888494620E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 191
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000191)=0.000000000000000E+00
|
|
(calc=0.134373747764514E+02 read=0.134373747764514E+02)
|
|
Weight for this step=-.15736E+00 0.65490E+01
|
|
beta (00000192)=0.134373747764514E+02
|
|
gamma(00000192)=0.134373747764514E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 192
|
|
z1= 1 0.542032768081592E-06 0.000000000000000E+00
|
|
z1= 2 -.121409514990936E-05 0.000000000000000E+00
|
|
z1= 3 -.143887773699323E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000192)=0.000000000000000E+00
|
|
(calc=0.127839033456557E+02 read=0.127839033456557E+02)
|
|
Weight for this step=-.15244E+00 0.87503E+01
|
|
beta (00000193)=0.127839033456557E+02
|
|
gamma(00000193)=0.127839033456557E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 193
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000193)=0.000000000000000E+00
|
|
(calc=0.131981242319597E+02 read=0.131981242319597E+02)
|
|
Weight for this step=0.15691E+00 -.64357E+01
|
|
beta (00000194)=0.131981242319597E+02
|
|
gamma(00000194)=0.131981242319597E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 194
|
|
z1= 1 -.554376804885628E-06 0.000000000000000E+00
|
|
z1= 2 0.127172951957448E-05 0.000000000000000E+00
|
|
z1= 3 0.131551717073916E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000194)=0.000000000000000E+00
|
|
(calc=0.126839705637911E+02 read=0.126839705637911E+02)
|
|
Weight for this step=0.15593E+00 -.87949E+01
|
|
beta (00000195)=0.126839705637911E+02
|
|
gamma(00000195)=0.126839705637911E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 195
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000195)=0.000000000000000E+00
|
|
(calc=0.133139870616707E+02 read=0.133139870616707E+02)
|
|
Weight for this step=-.15453E+00 0.62427E+01
|
|
beta (00000196)=0.133139870616707E+02
|
|
gamma(00000196)=0.133139870616707E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 196
|
|
z1= 1 0.558486781600546E-06 0.000000000000000E+00
|
|
z1= 2 -.131997583286021E-05 0.000000000000000E+00
|
|
z1= 3 -.121598765817174E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000196)=0.000000000000000E+00
|
|
(calc=0.126079556710371E+02 read=0.126079556710371E+02)
|
|
Weight for this step=-.15662E+00 0.86856E+01
|
|
beta (00000197)=0.126079556710371E+02
|
|
gamma(00000197)=0.126079556710371E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 197
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000197)=0.000000000000000E+00
|
|
(calc=0.136343170438687E+02 read=0.136343170438687E+02)
|
|
Weight for this step=0.15437E+00 -.61413E+01
|
|
beta (00000198)=0.136343170438687E+02
|
|
gamma(00000198)=0.136343170438687E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 198
|
|
z1= 1 -.543820786502565E-06 0.000000000000000E+00
|
|
z1= 2 0.131330038152051E-05 0.000000000000000E+00
|
|
z1= 3 0.114361442906076E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000198)=0.000000000000000E+00
|
|
(calc=0.126706279852249E+02 read=0.126706279852249E+02)
|
|
Weight for this step=0.15269E+00 -.83267E+01
|
|
beta (00000199)=0.126706279852249E+02
|
|
gamma(00000199)=0.126706279852249E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 199
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000199)=0.000000000000000E+00
|
|
(calc=0.134978626881212E+02 read=0.134978626881212E+02)
|
|
Weight for this step=-.15756E+00 0.61782E+01
|
|
beta (00000200)=0.134978626881212E+02
|
|
gamma(00000200)=0.134978626881212E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 200
|
|
z1= 1 0.546122877799971E-06 0.000000000000000E+00
|
|
z1= 2 -.133728157675694E-05 0.000000000000000E+00
|
|
z1= 3 -.113919605987403E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000200)=0.000000000000000E+00
|
|
(calc=0.126143139102749E+02 read=0.126143139102749E+02)
|
|
Weight for this step=-.15143E+00 0.81160E+01
|
|
beta (00000201)=0.126143139102749E+02
|
|
gamma(00000201)=0.126143139102749E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 201
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000201)=0.000000000000000E+00
|
|
(calc=0.133826811062926E+02 read=0.133826811062926E+02)
|
|
Weight for this step=0.16009E+00 -.61898E+01
|
|
beta (00000202)=0.133826811062926E+02
|
|
gamma(00000202)=0.133826811062926E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 202
|
|
z1= 1 -.550805676898203E-06 0.000000000000000E+00
|
|
z1= 2 0.133621853515861E-05 0.000000000000000E+00
|
|
z1= 3 0.113993346498625E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000202)=0.000000000000000E+00
|
|
(calc=0.127737846541513E+02 read=0.127737846541513E+02)
|
|
Weight for this step=0.15103E+00 -.79527E+01
|
|
beta (00000203)=0.127737846541513E+02
|
|
gamma(00000203)=0.127737846541513E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 203
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000203)=0.000000000000000E+00
|
|
(calc=0.135575587079049E+02 read=0.135575587079049E+02)
|
|
Weight for this step=-.15936E+00 0.60773E+01
|
|
beta (00000204)=0.135575587079049E+02
|
|
gamma(00000204)=0.135575587079049E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 204
|
|
z1= 1 0.552442015003528E-06 0.000000000000000E+00
|
|
z1= 2 -.134429945664795E-05 0.000000000000000E+00
|
|
z1= 3 -.112070105984679E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000204)=0.000000000000000E+00
|
|
(calc=0.128450518769431E+02 read=0.128450518769431E+02)
|
|
Weight for this step=-.15044E+00 0.77864E+01
|
|
beta (00000205)=0.128450518769431E+02
|
|
gamma(00000205)=0.128450518769431E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 205
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000205)=0.000000000000000E+00
|
|
(calc=0.134791534801382E+02 read=0.134791534801382E+02)
|
|
Weight for this step=0.15993E+00 -.60177E+01
|
|
beta (00000206)=0.134791534801382E+02
|
|
gamma(00000206)=0.134791534801382E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 206
|
|
z1= 1 -.563934132017074E-06 0.000000000000000E+00
|
|
z1= 2 0.133887510243299E-05 0.000000000000000E+00
|
|
z1= 3 0.117526056168665E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000206)=0.000000000000000E+00
|
|
(calc=0.127620203992589E+02 read=0.127620203992589E+02)
|
|
Weight for this step=0.15158E+00 -.77123E+01
|
|
beta (00000207)=0.127620203992589E+02
|
|
gamma(00000207)=0.127620203992589E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 207
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000207)=0.000000000000000E+00
|
|
(calc=0.133839137319547E+02 read=0.133839137319547E+02)
|
|
Weight for this step=-.16054E+00 0.59602E+01
|
|
beta (00000208)=0.133839137319547E+02
|
|
gamma(00000208)=0.133839137319547E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 208
|
|
z1= 1 0.574977857099369E-06 0.000000000000000E+00
|
|
z1= 2 -.133677040462204E-05 0.000000000000000E+00
|
|
z1= 3 -.125150370437088E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000208)=0.000000000000000E+00
|
|
(calc=0.126287971377642E+02 read=0.126287971377642E+02)
|
|
Weight for this step=-.15283E+00 0.76455E+01
|
|
beta (00000209)=0.126287971377642E+02
|
|
gamma(00000209)=0.126287971377642E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 209
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000209)=0.000000000000000E+00
|
|
(calc=0.135242410449407E+02 read=0.135242410449407E+02)
|
|
Weight for this step=0.16161E+00 -.59203E+01
|
|
beta (00000210)=0.135242410449407E+02
|
|
gamma(00000210)=0.135242410449407E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 210
|
|
z1= 1 -.570969557827771E-06 0.000000000000000E+00
|
|
z1= 2 0.130803923326122E-05 0.000000000000000E+00
|
|
z1= 3 0.133352042792105E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000210)=0.000000000000000E+00
|
|
(calc=0.126503303340757E+02 read=0.126503303340757E+02)
|
|
Weight for this step=0.15097E+00 -.74258E+01
|
|
beta (00000211)=0.126503303340757E+02
|
|
gamma(00000211)=0.126503303340757E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 211
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000211)=0.000000000000000E+00
|
|
(calc=0.135864385904648E+02 read=0.135864385904648E+02)
|
|
Weight for this step=-.16438E+00 0.59451E+01
|
|
beta (00000212)=0.135864385904648E+02
|
|
gamma(00000212)=0.135864385904648E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 212
|
|
z1= 1 0.565673003581120E-06 0.000000000000000E+00
|
|
z1= 2 -.129390056143031E-05 0.000000000000000E+00
|
|
z1= 3 -.134124387012651E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000212)=0.000000000000000E+00
|
|
(calc=0.126859743538517E+02 read=0.126859743538517E+02)
|
|
Weight for this step=-.14893E+00 0.72006E+01
|
|
beta (00000213)=0.126859743538517E+02
|
|
gamma(00000213)=0.126859743538517E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 213
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000213)=0.000000000000000E+00
|
|
(calc=0.134727079869596E+02 read=0.134727079869596E+02)
|
|
Weight for this step=0.16779E+00 -.59955E+01
|
|
beta (00000214)=0.134727079869596E+02
|
|
gamma(00000214)=0.134727079869596E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 214
|
|
z1= 1 -.570099732002065E-06 0.000000000000000E+00
|
|
z1= 2 0.130798919853949E-05 0.000000000000000E+00
|
|
z1= 3 0.124212549145008E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000214)=0.000000000000000E+00
|
|
(calc=0.125567667102425E+02 read=0.125567667102425E+02)
|
|
Weight for this step=0.14883E+00 -.70714E+01
|
|
beta (00000215)=0.125567667102425E+02
|
|
gamma(00000215)=0.125567667102425E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 215
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000215)=0.000000000000000E+00
|
|
(calc=0.132488415349025E+02 read=0.132488415349025E+02)
|
|
Weight for this step=-.17171E+00 0.60642E+01
|
|
beta (00000216)=0.132488415349025E+02
|
|
gamma(00000216)=0.132488415349025E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 216
|
|
z1= 1 0.573717353576290E-06 0.000000000000000E+00
|
|
z1= 2 -.131334670388028E-05 0.000000000000000E+00
|
|
z1= 3 -.111934342658342E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000216)=0.000000000000000E+00
|
|
(calc=0.124624319349730E+02 read=0.124624319349730E+02)
|
|
Weight for this step=-.15000E+00 0.70016E+01
|
|
beta (00000217)=0.124624319349730E+02
|
|
gamma(00000217)=0.124624319349730E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 217
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000217)=0.000000000000000E+00
|
|
(calc=0.136513087510261E+02 read=0.136513087510261E+02)
|
|
Weight for this step=0.17410E+00 -.60792E+01
|
|
beta (00000218)=0.136513087510261E+02
|
|
gamma(00000218)=0.136513087510261E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 218
|
|
z1= 1 -.552099851272396E-06 0.000000000000000E+00
|
|
z1= 2 0.126684375601952E-05 0.000000000000000E+00
|
|
z1= 3 0.927208759252342E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000218)=0.000000000000000E+00
|
|
(calc=0.127274228748273E+02 read=0.127274228748273E+02)
|
|
Weight for this step=0.14573E+00 -.66834E+01
|
|
beta (00000219)=0.127274228748273E+02
|
|
gamma(00000219)=0.127274228748273E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 219
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000219)=0.000000000000000E+00
|
|
(calc=0.134287275413219E+02 read=0.134287275413219E+02)
|
|
Weight for this step=-.17872E+00 0.61767E+01
|
|
beta (00000220)=0.134287275413219E+02
|
|
gamma(00000220)=0.134287275413219E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 220
|
|
z1= 1 0.552327883041889E-06 0.000000000000000E+00
|
|
z1= 2 -.126552096700341E-05 0.000000000000000E+00
|
|
z1= 3 -.777015787753332E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000220)=0.000000000000000E+00
|
|
(calc=0.127703454805540E+02 read=0.127703454805540E+02)
|
|
Weight for this step=-.14729E+00 0.66354E+01
|
|
beta (00000221)=0.127703454805540E+02
|
|
gamma(00000221)=0.127703454805540E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 221
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000221)=0.000000000000000E+00
|
|
(calc=0.132933859257373E+02 read=0.132933859257373E+02)
|
|
Weight for this step=0.17987E+00 -.61550E+01
|
|
beta (00000222)=0.132933859257373E+02
|
|
gamma(00000222)=0.132933859257373E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 222
|
|
z1= 1 -.564789806963798E-06 0.000000000000000E+00
|
|
z1= 2 0.130812859536043E-05 0.000000000000000E+00
|
|
z1= 3 0.620872185668915E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000222)=0.000000000000000E+00
|
|
(calc=0.128282704186308E+02 read=0.128282704186308E+02)
|
|
Weight for this step=0.15081E+00 -.66774E+01
|
|
beta (00000223)=0.128282704186308E+02
|
|
gamma(00000223)=0.128282704186308E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 223
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000223)=0.000000000000000E+00
|
|
(calc=0.132058959439121E+02 read=0.132058959439121E+02)
|
|
Weight for this step=-.17817E+00 0.60375E+01
|
|
beta (00000224)=0.132058959439121E+02
|
|
gamma(00000224)=0.132058959439121E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 224
|
|
z1= 1 0.581375468775469E-06 0.000000000000000E+00
|
|
z1= 2 -.133523817385514E-05 0.000000000000000E+00
|
|
z1= 3 -.430580993013246E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000224)=0.000000000000000E+00
|
|
(calc=0.129770362601576E+02 read=0.129770362601576E+02)
|
|
Weight for this step=-.15579E+00 0.67857E+01
|
|
beta (00000225)=0.129770362601576E+02
|
|
gamma(00000225)=0.129770362601576E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 225
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000225)=0.000000000000000E+00
|
|
(calc=0.133541749785659E+02 read=0.133541749785659E+02)
|
|
Weight for this step=0.17293E+00 -.58017E+01
|
|
beta (00000226)=0.133541749785659E+02
|
|
gamma(00000226)=0.133541749785659E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 226
|
|
z1= 1 -.599147315333325E-06 0.000000000000000E+00
|
|
z1= 2 0.137374016239610E-05 0.000000000000000E+00
|
|
z1= 3 0.236438321236355E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000226)=0.000000000000000E+00
|
|
(calc=0.128225244354512E+02 read=0.128225244354512E+02)
|
|
Weight for this step=0.16030E+00 -.68785E+01
|
|
beta (00000227)=0.128225244354512E+02
|
|
gamma(00000227)=0.128225244354512E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 227
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000227)=0.000000000000000E+00
|
|
(calc=0.135109083731040E+02 read=0.135109083731040E+02)
|
|
Weight for this step=-.17138E+00 0.56911E+01
|
|
beta (00000228)=0.135109083731040E+02
|
|
gamma(00000228)=0.135109083731040E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 228
|
|
z1= 1 0.599089202466918E-06 0.000000000000000E+00
|
|
z1= 2 -.133796892961007E-05 0.000000000000000E+00
|
|
z1= 3 -.768885985542294E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000228)=0.000000000000000E+00
|
|
(calc=0.127024362018812E+02 read=0.127024362018812E+02)
|
|
Weight for this step=-.16086E+00 0.68037E+01
|
|
beta (00000229)=0.127024362018812E+02
|
|
gamma(00000229)=0.127024362018812E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 229
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000229)=0.000000000000000E+00
|
|
(calc=0.134491753117693E+02 read=0.134491753117693E+02)
|
|
Weight for this step=0.17346E+00 -.57027E+01
|
|
beta (00000230)=0.134491753117693E+02
|
|
gamma(00000230)=0.134491753117693E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 230
|
|
z1= 1 -.599330073211926E-06 0.000000000000000E+00
|
|
z1= 2 0.133962613777590E-05 0.000000000000000E+00
|
|
z1= 3 -.455511549428706E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000230)=0.000000000000000E+00
|
|
(calc=0.129123601870796E+02 read=0.129123601870796E+02)
|
|
Weight for this step=0.16079E+00 -.67035E+01
|
|
beta (00000231)=0.129123601870796E+02
|
|
gamma(00000231)=0.129123601870796E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 231
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000231)=0.000000000000000E+00
|
|
(calc=0.137268104071323E+02 read=0.137268104071323E+02)
|
|
Weight for this step=-.17201E+00 0.56000E+01
|
|
beta (00000232)=0.137268104071323E+02
|
|
gamma(00000232)=0.137268104071323E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 232
|
|
z1= 1 0.598242690109420E-06 0.000000000000000E+00
|
|
z1= 2 -.130937416151179E-05 0.000000000000000E+00
|
|
z1= 3 0.113477318406291E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000232)=0.000000000000000E+00
|
|
(calc=0.127781163459516E+02 read=0.127781163459516E+02)
|
|
Weight for this step=-.15986E+00 0.65728E+01
|
|
beta (00000233)=0.127781163459516E+02
|
|
gamma(00000233)=0.127781163459516E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 233
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000233)=0.000000000000000E+00
|
|
(calc=0.133503608862439E+02 read=0.133503608862439E+02)
|
|
Weight for this step=0.17607E+00 -.56790E+01
|
|
beta (00000234)=0.133503608862439E+02
|
|
gamma(00000234)=0.133503608862439E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 234
|
|
z1= 1 -.616493624310314E-06 0.000000000000000E+00
|
|
z1= 2 0.132113831547364E-05 0.000000000000000E+00
|
|
z1= 3 -.180097848624033E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000234)=0.000000000000000E+00
|
|
(calc=0.125911995627005E+02 read=0.125911995627005E+02)
|
|
Weight for this step=0.16207E+00 -.65695E+01
|
|
beta (00000235)=0.125911995627005E+02
|
|
gamma(00000235)=0.125911995627005E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 235
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000235)=0.000000000000000E+00
|
|
(calc=0.133931163382290E+02 read=0.133931163382290E+02)
|
|
Weight for this step=-.17774E+00 0.56799E+01
|
|
beta (00000236)=0.133931163382290E+02
|
|
gamma(00000236)=0.133931163382290E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 236
|
|
z1= 1 0.618472232832455E-06 0.000000000000000E+00
|
|
z1= 2 -.127838576309688E-05 0.000000000000000E+00
|
|
z1= 3 0.213778395855775E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000236)=0.000000000000000E+00
|
|
(calc=0.128915663637625E+02 read=0.128915663637625E+02)
|
|
Weight for this step=-.16148E+00 0.64538E+01
|
|
beta (00000237)=0.128915663637625E+02
|
|
gamma(00000237)=0.128915663637625E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 237
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000237)=0.000000000000000E+00
|
|
(calc=0.135197269058366E+02 read=0.135197269058366E+02)
|
|
Weight for this step=0.17596E+00 -.55732E+01
|
|
beta (00000238)=0.135197269058366E+02
|
|
gamma(00000238)=0.135197269058366E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 238
|
|
z1= 1 -.624748068315693E-06 0.000000000000000E+00
|
|
z1= 2 0.127059262056405E-05 0.000000000000000E+00
|
|
z1= 3 -.247498403681875E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000238)=0.000000000000000E+00
|
|
(calc=0.127636398943868E+02 read=0.127636398943868E+02)
|
|
Weight for this step=0.16291E+00 -.64237E+01
|
|
beta (00000239)=0.127636398943868E+02
|
|
gamma(00000239)=0.127636398943868E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 239
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000239)=0.000000000000000E+00
|
|
(calc=0.133597369963080E+02 read=0.133597369963080E+02)
|
|
Weight for this step=-.17752E+00 0.55739E+01
|
|
beta (00000240)=0.133597369963080E+02
|
|
gamma(00000240)=0.133597369963080E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 240
|
|
z1= 1 0.638986445368819E-06 0.000000000000000E+00
|
|
z1= 2 -.126376980639234E-05 0.000000000000000E+00
|
|
z1= 3 0.255295343547981E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000240)=0.000000000000000E+00
|
|
(calc=0.127491151141515E+02 read=0.127491151141515E+02)
|
|
Weight for this step=-.16475E+00 0.64102E+01
|
|
beta (00000241)=0.127491151141515E+02
|
|
gamma(00000241)=0.127491151141515E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 241
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000241)=0.000000000000000E+00
|
|
(calc=0.134028997093839E+02 read=0.134028997093839E+02)
|
|
Weight for this step=0.17706E+00 -.55117E+01
|
|
beta (00000242)=0.134028997093839E+02
|
|
gamma(00000242)=0.134028997093839E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 242
|
|
z1= 1 -.643583546281867E-06 0.000000000000000E+00
|
|
z1= 2 0.125292513722879E-05 0.000000000000000E+00
|
|
z1= 3 -.217520493399131E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000242)=0.000000000000000E+00
|
|
(calc=0.128892925646346E+02 read=0.128892925646346E+02)
|
|
Weight for this step=0.16578E+00 -.63667E+01
|
|
beta (00000243)=0.128892925646346E+02
|
|
gamma(00000243)=0.128892925646346E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 243
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000243)=0.000000000000000E+00
|
|
(calc=0.135139827227624E+02 read=0.135139827227624E+02)
|
|
Weight for this step=-.17520E+00 0.54080E+01
|
|
beta (00000244)=0.135139827227624E+02
|
|
gamma(00000244)=0.135139827227624E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 244
|
|
z1= 1 0.646958573288976E-06 0.000000000000000E+00
|
|
z1= 2 -.123568839233590E-05 0.000000000000000E+00
|
|
z1= 3 0.176642108764853E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000244)=0.000000000000000E+00
|
|
(calc=0.125465531289791E+02 read=0.125465531289791E+02)
|
|
Weight for this step=-.16700E+00 0.63343E+01
|
|
beta (00000245)=0.125465531289791E+02
|
|
gamma(00000245)=0.125465531289791E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 245
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000245)=0.000000000000000E+00
|
|
(calc=0.130511057384515E+02 read=0.130511057384515E+02)
|
|
Weight for this step=0.17949E+00 -.54946E+01
|
|
beta (00000246)=0.130511057384515E+02
|
|
gamma(00000246)=0.130511057384515E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 246
|
|
z1= 1 -.669068605404794E-06 0.000000000000000E+00
|
|
z1= 2 0.124275464801675E-05 0.000000000000000E+00
|
|
z1= 3 -.686764803304700E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000246)=0.000000000000000E+00
|
|
(calc=0.125672194218394E+02 read=0.125672194218394E+02)
|
|
Weight for this step=0.16997E+00 -.63650E+01
|
|
beta (00000247)=0.125672194218394E+02
|
|
gamma(00000247)=0.125672194218394E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 247
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000247)=0.000000000000000E+00
|
|
(calc=0.133322000903193E+02 read=0.133322000903193E+02)
|
|
Weight for this step=-.17705E+00 0.53746E+01
|
|
beta (00000248)=0.133322000903193E+02
|
|
gamma(00000248)=0.133322000903193E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 248
|
|
z1= 1 0.681577942250578E-06 0.000000000000000E+00
|
|
z1= 2 -.123381701972245E-05 0.000000000000000E+00
|
|
z1= 3 -.266689805971960E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000248)=0.000000000000000E+00
|
|
(calc=0.127880968096045E+02 read=0.127880968096045E+02)
|
|
Weight for this step=-.16931E+00 0.62637E+01
|
|
beta (00000249)=0.127880968096045E+02
|
|
gamma(00000249)=0.127880968096045E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 249
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000249)=0.000000000000000E+00
|
|
(calc=0.134565581046965E+02 read=0.134565581046965E+02)
|
|
Weight for this step=0.17542E+00 -.52827E+01
|
|
beta (00000250)=0.134565581046965E+02
|
|
gamma(00000250)=0.134565581046965E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 250
|
|
z1= 1 -.694963790836151E-06 0.000000000000000E+00
|
|
z1= 2 0.122023517276529E-05 0.000000000000000E+00
|
|
z1= 3 0.128802028552043E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000250)=0.000000000000000E+00
|
|
(calc=0.125503690253823E+02 read=0.125503690253823E+02)
|
|
Weight for this step=0.16983E+00 -.62095E+01
|
|
beta (00000251)=0.125503690253823E+02
|
|
gamma(00000251)=0.125503690253823E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 251
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000251)=0.000000000000000E+00
|
|
(calc=0.132840585916851E+02 read=0.132840585916851E+02)
|
|
Weight for this step=-.17874E+00 0.53402E+01
|
|
beta (00000252)=0.132840585916851E+02
|
|
gamma(00000252)=0.132840585916851E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 252
|
|
z1= 1 0.714218952106303E-06 0.000000000000000E+00
|
|
z1= 2 -.121037865157372E-05 0.000000000000000E+00
|
|
z1= 3 -.179274714231667E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000252)=0.000000000000000E+00
|
|
(calc=0.129336467496663E+02 read=0.129336467496663E+02)
|
|
Weight for this step=-.16966E+00 0.61297E+01
|
|
beta (00000253)=0.129336467496663E+02
|
|
gamma(00000253)=0.129336467496663E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 253
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000253)=0.000000000000000E+00
|
|
(calc=0.135149193239822E+02 read=0.135149193239822E+02)
|
|
Weight for this step=0.17452E+00 -.51747E+01
|
|
beta (00000254)=0.135149193239822E+02
|
|
gamma(00000254)=0.135149193239822E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 254
|
|
z1= 1 -.735231184990719E-06 0.000000000000000E+00
|
|
z1= 2 0.120195177215625E-05 0.000000000000000E+00
|
|
z1= 3 0.150988149145704E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000254)=0.000000000000000E+00
|
|
(calc=0.128019352131742E+02 read=0.128019352131742E+02)
|
|
Weight for this step=0.17119E+00 -.61167E+01
|
|
beta (00000255)=0.128019352131742E+02
|
|
gamma(00000255)=0.128019352131742E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 255
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000255)=0.000000000000000E+00
|
|
(calc=0.136716720200583E+02 read=0.136716720200583E+02)
|
|
Weight for this step=-.17501E+00 0.51501E+01
|
|
beta (00000256)=0.136716720200583E+02
|
|
gamma(00000256)=0.136716720200583E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 256
|
|
z1= 1 0.740090766522712E-06 0.000000000000000E+00
|
|
z1= 2 -.118564917640329E-05 0.000000000000000E+00
|
|
z1= 3 -.137059842599200E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000256)=0.000000000000000E+00
|
|
(calc=0.128300169711027E+02 read=0.128300169711027E+02)
|
|
Weight for this step=-.16906E+00 0.59741E+01
|
|
beta (00000257)=0.128300169711027E+02
|
|
gamma(00000257)=0.128300169711027E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 257
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000257)=0.000000000000000E+00
|
|
(calc=0.134221764225424E+02 read=0.134221764225424E+02)
|
|
Weight for this step=0.17740E+00 -.51832E+01
|
|
beta (00000258)=0.134221764225424E+02
|
|
gamma(00000258)=0.134221764225424E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 258
|
|
z1= 1 -.763114090801022E-06 0.000000000000000E+00
|
|
z1= 2 0.117708801347519E-05 0.000000000000000E+00
|
|
z1= 3 0.138314965273885E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000258)=0.000000000000000E+00
|
|
(calc=0.130324414893717E+02 read=0.130324414893717E+02)
|
|
Weight for this step=0.17064E+00 -.59633E+01
|
|
beta (00000259)=0.130324414893717E+02
|
|
gamma(00000259)=0.130324414893717E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 259
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000259)=0.000000000000000E+00
|
|
(calc=0.135340611114582E+02 read=0.135340611114582E+02)
|
|
Weight for this step=-.17367E+00 0.50387E+01
|
|
beta (00000260)=0.135340611114582E+02
|
|
gamma(00000260)=0.135340611114582E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 260
|
|
z1= 1 0.786494248650323E-06 0.000000000000000E+00
|
|
z1= 2 -.117528697542450E-05 0.000000000000000E+00
|
|
z1= 3 -.928929111123130E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000260)=0.000000000000000E+00
|
|
(calc=0.127717003129934E+02 read=0.127717003129934E+02)
|
|
Weight for this step=-.17309E+00 0.59860E+01
|
|
beta (00000261)=0.127717003129934E+02
|
|
gamma(00000261)=0.127717003129934E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 261
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000261)=0.000000000000000E+00
|
|
(calc=0.133221254906216E+02 read=0.133221254906216E+02)
|
|
Weight for this step=0.17470E+00 -.50327E+01
|
|
beta (00000262)=0.133221254906216E+02
|
|
gamma(00000262)=0.133221254906216E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 262
|
|
z1= 1 -.808548144851811E-06 0.000000000000000E+00
|
|
z1= 2 0.114094107089748E-05 0.000000000000000E+00
|
|
z1= 3 0.479945003352845E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000262)=0.000000000000000E+00
|
|
(calc=0.126369348152825E+02 read=0.126369348152825E+02)
|
|
Weight for this step=0.17490E+00 -.59860E+01
|
|
beta (00000263)=0.126369348152825E+02
|
|
gamma(00000263)=0.126369348152825E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 263
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000263)=0.000000000000000E+00
|
|
(calc=0.132587151044912E+02 read=0.132587151044912E+02)
|
|
Weight for this step=-.17464E+00 0.49955E+01
|
|
beta (00000264)=0.132587151044912E+02
|
|
gamma(00000264)=0.132587151044912E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 264
|
|
z1= 1 0.832728670075025E-06 0.000000000000000E+00
|
|
z1= 2 -.111459423533350E-05 0.000000000000000E+00
|
|
z1= 3 -.468145628130731E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000264)=0.000000000000000E+00
|
|
(calc=0.127327481978581E+02 read=0.127327481978581E+02)
|
|
Weight for this step=-.17569E+00 0.59519E+01
|
|
beta (00000265)=0.127327481978581E+02
|
|
gamma(00000265)=0.127327481978581E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 265
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000265)=0.000000000000000E+00
|
|
(calc=0.134480083555586E+02 read=0.134480083555586E+02)
|
|
Weight for this step=0.17235E+00 -.48958E+01
|
|
beta (00000266)=0.134480083555586E+02
|
|
gamma(00000266)=0.134480083555586E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 266
|
|
z1= 1 -.847673392096276E-06 0.000000000000000E+00
|
|
z1= 2 0.107591641115178E-05 0.000000000000000E+00
|
|
z1= 3 0.661403806914446E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000266)=0.000000000000000E+00
|
|
(calc=0.127991069567262E+02 read=0.127991069567262E+02)
|
|
Weight for this step=0.17510E+00 -.58736E+01
|
|
beta (00000267)=0.127991069567262E+02
|
|
gamma(00000267)=0.127991069567262E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 267
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000267)=0.000000000000000E+00
|
|
(calc=0.133509648125398E+02 read=0.133509648125398E+02)
|
|
Weight for this step=-.17167E+00 0.48437E+01
|
|
beta (00000268)=0.133509648125398E+02
|
|
gamma(00000268)=0.133509648125398E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 268
|
|
z1= 1 0.861293865518214E-06 0.000000000000000E+00
|
|
z1= 2 -.105054333559413E-05 0.000000000000000E+00
|
|
z1= 3 -.568672725593123E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000268)=0.000000000000000E+00
|
|
(calc=0.126159938733929E+02 read=0.126159938733929E+02)
|
|
Weight for this step=-.17665E+00 0.58683E+01
|
|
beta (00000269)=0.126159938733929E+02
|
|
gamma(00000269)=0.126159938733929E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 269
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000269)=0.000000000000000E+00
|
|
(calc=0.135207238563646E+02 read=0.135207238563646E+02)
|
|
Weight for this step=0.17205E+00 -.48214E+01
|
|
beta (00000270)=0.135207238563646E+02
|
|
gamma(00000270)=0.135207238563646E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 270
|
|
z1= 1 -.850933597511657E-06 0.000000000000000E+00
|
|
z1= 2 0.978869600185619E-06 0.000000000000000E+00
|
|
z1= 3 0.127265639789825E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000270)=0.000000000000000E+00
|
|
(calc=0.130324123235257E+02 read=0.130324123235257E+02)
|
|
Weight for this step=0.17351E+00 -.57090E+01
|
|
beta (00000271)=0.130324123235257E+02
|
|
gamma(00000271)=0.130324123235257E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 271
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000271)=0.000000000000000E+00
|
|
(calc=0.132956027752198E+02 read=0.132956027752198E+02)
|
|
Weight for this step=-.16934E+00 0.47153E+01
|
|
beta (00000272)=0.132956027752198E+02
|
|
gamma(00000272)=0.132956027752198E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 272
|
|
z1= 1 0.886784847518239E-06 0.000000000000000E+00
|
|
z1= 2 -.965208470624567E-06 0.000000000000000E+00
|
|
z1= 3 -.191859941941791E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000272)=0.000000000000000E+00
|
|
(calc=0.127269484826188E+02 read=0.127269484826188E+02)
|
|
Weight for this step=-.17877E+00 0.58282E+01
|
|
beta (00000273)=0.127269484826188E+02
|
|
gamma(00000273)=0.127269484826188E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 273
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000273)=0.000000000000000E+00
|
|
(calc=0.134985180404545E+02 read=0.134985180404545E+02)
|
|
Weight for this step=0.16725E+00 -.46262E+01
|
|
beta (00000274)=0.134985180404545E+02
|
|
gamma(00000274)=0.134985180404545E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 274
|
|
z1= 1 -.880262715664414E-06 0.000000000000000E+00
|
|
z1= 2 0.892739654720614E-06 0.000000000000000E+00
|
|
z1= 3 0.170461107319943E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000274)=0.000000000000000E+00
|
|
(calc=0.128622180561738E+02 read=0.128622180561738E+02)
|
|
Weight for this step=0.17700E+00 -.57194E+01
|
|
beta (00000275)=0.128622180561738E+02
|
|
gamma(00000275)=0.128622180561738E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 275
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000275)=0.000000000000000E+00
|
|
(calc=0.137440373074687E+02 read=0.137440373074687E+02)
|
|
Weight for this step=-.16607E+00 0.45640E+01
|
|
beta (00000276)=0.137440373074687E+02
|
|
gamma(00000276)=0.137440373074687E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 276
|
|
z1= 1 0.873160536215536E-06 0.000000000000000E+00
|
|
z1= 2 -.823044611975845E-06 0.000000000000000E+00
|
|
z1= 3 -.142874387783048E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000276)=0.000000000000000E+00
|
|
(calc=0.127464619913646E+02 read=0.127464619913646E+02)
|
|
Weight for this step=-.17389E+00 0.55698E+01
|
|
beta (00000277)=0.127464619913646E+02
|
|
gamma(00000277)=0.127464619913646E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 277
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000277)=0.000000000000000E+00
|
|
(calc=0.131863522853378E+02 read=0.131863522853378E+02)
|
|
Weight for this step=0.16970E+00 -.46352E+01
|
|
beta (00000278)=0.131863522853378E+02
|
|
gamma(00000278)=0.131863522853378E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 278
|
|
z1= 1 -.901672133882172E-06 0.000000000000000E+00
|
|
z1= 2 0.771039879108909E-06 0.000000000000000E+00
|
|
z1= 3 0.109693624388935E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000278)=0.000000000000000E+00
|
|
(calc=0.125348482581493E+02 read=0.125348482581493E+02)
|
|
Weight for this step=0.17686E+00 -.56140E+01
|
|
beta (00000279)=0.125348482581493E+02
|
|
gamma(00000279)=0.125348482581493E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 279
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000279)=0.000000000000000E+00
|
|
(calc=0.133613074100773E+02 read=0.133613074100773E+02)
|
|
Weight for this step=-.16884E+00 0.45829E+01
|
|
beta (00000280)=0.133613074100773E+02
|
|
gamma(00000280)=0.133613074100773E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 280
|
|
z1= 1 0.896016078226003E-06 0.000000000000000E+00
|
|
z1= 2 -.703776936694244E-06 0.000000000000000E+00
|
|
z1= 3 -.761180235772669E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000280)=0.000000000000000E+00
|
|
(calc=0.128734583968289E+02 read=0.128734583968289E+02)
|
|
Weight for this step=-.17454E+00 0.54913E+01
|
|
beta (00000281)=0.128734583968289E+02
|
|
gamma(00000281)=0.128734583968289E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 281
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000281)=0.000000000000000E+00
|
|
(calc=0.132961392437314E+02 read=0.132961392437314E+02)
|
|
Weight for this step=0.16594E+00 -.44774E+01
|
|
beta (00000282)=0.132961392437314E+02
|
|
gamma(00000282)=0.132961392437314E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 282
|
|
z1= 1 -.912535820926739E-06 0.000000000000000E+00
|
|
z1= 2 0.647095085784782E-06 0.000000000000000E+00
|
|
z1= 3 0.277690949047182E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000282)=0.000000000000000E+00
|
|
(calc=0.125942948075747E+02 read=0.125942948075747E+02)
|
|
Weight for this step=0.17750E+00 -.55372E+01
|
|
beta (00000283)=0.125942948075747E+02
|
|
gamma(00000283)=0.125942948075747E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 283
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000283)=0.000000000000000E+00
|
|
(calc=0.132143367708970E+02 read=0.132143367708970E+02)
|
|
Weight for this step=-.16552E+00 0.44391E+01
|
|
beta (00000284)=0.132143367708970E+02
|
|
gamma(00000284)=0.132143367708970E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 284
|
|
z1= 1 0.909746900843041E-06 0.000000000000000E+00
|
|
z1= 2 -.573979622587228E-06 0.000000000000000E+00
|
|
z1= 3 0.582131013957144E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000284)=0.000000000000000E+00
|
|
(calc=0.126628114296173E+02 read=0.126628114296173E+02)
|
|
Weight for this step=-.17770E+00 0.54972E+01
|
|
beta (00000285)=0.126628114296173E+02
|
|
gamma(00000285)=0.126628114296173E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 285
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000285)=0.000000000000000E+00
|
|
(calc=0.134122097358556E+02 read=0.134122097358556E+02)
|
|
Weight for this step=0.16311E+00 -.43483E+01
|
|
beta (00000286)=0.134122097358556E+02
|
|
gamma(00000286)=0.134122097358556E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 286
|
|
z1= 1 -.905927851428874E-06 0.000000000000000E+00
|
|
z1= 2 0.504138144356544E-06 0.000000000000000E+00
|
|
z1= 3 -.190832693180655E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000286)=0.000000000000000E+00
|
|
(calc=0.126240012323494E+02 read=0.126240012323494E+02)
|
|
Weight for this step=0.17606E+00 -.54023E+01
|
|
beta (00000287)=0.126240012323494E+02
|
|
gamma(00000287)=0.126240012323494E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 287
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000287)=0.000000000000000E+00
|
|
(calc=0.130876656465496E+02 read=0.130876656465496E+02)
|
|
Weight for this step=-.16373E+00 0.43397E+01
|
|
beta (00000288)=0.130876656465496E+02
|
|
gamma(00000288)=0.130876656465496E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 288
|
|
z1= 1 0.920525971781548E-06 0.000000000000000E+00
|
|
z1= 2 -.414213907049368E-06 0.000000000000000E+00
|
|
z1= 3 0.349602154668134E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000288)=0.000000000000000E+00
|
|
(calc=0.127646911930806E+02 read=0.127646911930806E+02)
|
|
Weight for this step=-.17834E+00 0.54279E+01
|
|
beta (00000289)=0.127646911930806E+02
|
|
gamma(00000289)=0.127646911930806E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 289
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000289)=0.000000000000000E+00
|
|
(calc=0.134266767108745E+02 read=0.134266767108745E+02)
|
|
Weight for this step=0.15831E+00 -.41712E+01
|
|
beta (00000290)=0.134266767108745E+02
|
|
gamma(00000290)=0.134266767108745E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 290
|
|
z1= 1 -.927088723384718E-06 0.000000000000000E+00
|
|
z1= 2 0.344783483439634E-06 0.000000000000000E+00
|
|
z1= 3 -.501146048350665E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000290)=0.000000000000000E+00
|
|
(calc=0.127607112298001E+02 read=0.127607112298001E+02)
|
|
Weight for this step=0.17758E+00 -.53637E+01
|
|
beta (00000291)=0.127607112298001E+02
|
|
gamma(00000291)=0.127607112298001E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 291
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000291)=0.000000000000000E+00
|
|
(calc=0.131977198915219E+02 read=0.131977198915219E+02)
|
|
Weight for this step=-.15704E+00 0.41137E+01
|
|
beta (00000292)=0.131977198915219E+02
|
|
gamma(00000292)=0.131977198915219E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 292
|
|
z1= 1 0.944096389550540E-06 0.000000000000000E+00
|
|
z1= 2 -.251664361859358E-06 0.000000000000000E+00
|
|
z1= 3 0.625281949561881E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000292)=0.000000000000000E+00
|
|
(calc=0.126412176915661E+02 read=0.126412176915661E+02)
|
|
Weight for this step=-.17980E+00 0.53901E+01
|
|
beta (00000293)=0.126412176915661E+02
|
|
gamma(00000293)=0.126412176915661E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 293
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000293)=0.000000000000000E+00
|
|
(calc=0.135269362636948E+02 read=0.135269362636948E+02)
|
|
Weight for this step=0.15421E+00 -.40157E+01
|
|
beta (00000294)=0.135269362636948E+02
|
|
gamma(00000294)=0.135269362636948E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 294
|
|
z1= 1 -.913285294410772E-06 0.000000000000000E+00
|
|
z1= 2 0.198728392220915E-06 0.000000000000000E+00
|
|
z1= 3 -.725818894986055E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000294)=0.000000000000000E+00
|
|
(calc=0.129785103637072E+02 read=0.129785103637072E+02)
|
|
Weight for this step=0.17579E+00 -.52315E+01
|
|
beta (00000295)=0.129785103637072E+02
|
|
gamma(00000295)=0.129785103637072E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 295
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000295)=0.000000000000000E+00
|
|
(calc=0.135622799739159E+02 read=0.135622799739159E+02)
|
|
Weight for this step=-.15146E+00 0.39215E+01
|
|
beta (00000296)=0.135622799739159E+02
|
|
gamma(00000296)=0.135622799739159E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 296
|
|
z1= 1 0.904610691123515E-06 0.000000000000000E+00
|
|
z1= 2 -.129533907027691E-06 0.000000000000000E+00
|
|
z1= 3 0.768601384177944E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000296)=0.000000000000000E+00
|
|
(calc=0.127907385325438E+02 read=0.127907385325438E+02)
|
|
Weight for this step=-.17582E+00 0.51956E+01
|
|
beta (00000297)=0.127907385325438E+02
|
|
gamma(00000297)=0.127907385325438E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 297
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000297)=0.000000000000000E+00
|
|
(calc=0.133436961898626E+02 read=0.133436961898626E+02)
|
|
Weight for this step=0.15119E+00 -.38922E+01
|
|
beta (00000298)=0.133436961898626E+02
|
|
gamma(00000298)=0.133436961898626E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 298
|
|
z1= 1 -.902351524952158E-06 0.000000000000000E+00
|
|
z1= 2 0.910101934221253E-07 0.000000000000000E+00
|
|
z1= 3 -.707462199360926E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000298)=0.000000000000000E+00
|
|
(calc=0.130107129245938E+02 read=0.130107129245938E+02)
|
|
Weight for this step=0.17624E+00 -.51712E+01
|
|
beta (00000299)=0.130107129245938E+02
|
|
gamma(00000299)=0.130107129245938E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 299
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000299)=0.000000000000000E+00
|
|
(calc=0.136889177698054E+02 read=0.136889177698054E+02)
|
|
Weight for this step=-.14580E+00 0.37317E+01
|
|
beta (00000300)=0.136889177698054E+02
|
|
gamma(00000300)=0.136889177698054E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 300
|
|
z1= 1 0.890870992606950E-06 0.000000000000000E+00
|
|
z1= 2 -.324937566420034E-07 0.000000000000000E+00
|
|
z1= 3 0.684585814798610E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000300)=0.000000000000000E+00
|
|
(calc=0.127325779102483E+02 read=0.127325779102483E+02)
|
|
Weight for this step=-.17475E+00 0.50934E+01
|
|
beta (00000301)=0.127325779102483E+02
|
|
gamma(00000301)=0.127325779102483E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 301
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000301)=0.000000000000000E+00
|
|
(calc=0.132014512645709E+02 read=0.132014512645709E+02)
|
|
Weight for this step=0.14736E+00 -.37501E+01
|
|
beta (00000302)=0.132014512645709E+02
|
|
gamma(00000302)=0.132014512645709E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 302
|
|
z1= 1 -.907215534756245E-06 0.000000000000000E+00
|
|
z1= 2 0.749085360391257E-08 0.000000000000000E+00
|
|
z1= 3 -.647234596798748E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000302)=0.000000000000000E+00
|
|
(calc=0.127870291940223E+02 read=0.127870291940223E+02)
|
|
Weight for this step=0.17614E+00 -.50985E+01
|
|
beta (00000303)=0.127870291940223E+02
|
|
gamma(00000303)=0.127870291940223E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 303
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000303)=0.000000000000000E+00
|
|
(calc=0.135647528982383E+02 read=0.135647528982383E+02)
|
|
Weight for this step=-.14272E+00 0.36106E+01
|
|
beta (00000304)=0.135647528982383E+02
|
|
gamma(00000304)=0.135647528982383E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 304
|
|
z1= 1 0.898162290781878E-06 0.000000000000000E+00
|
|
z1= 2 0.177070342863121E-07 0.000000000000000E+00
|
|
z1= 3 0.551157711890096E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000304)=0.000000000000000E+00
|
|
(calc=0.128308746770530E+02 read=0.128308746770530E+02)
|
|
Weight for this step=-.17319E+00 0.49804E+01
|
|
beta (00000305)=0.128308746770530E+02
|
|
gamma(00000305)=0.128308746770530E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 305
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000305)=0.000000000000000E+00
|
|
(calc=0.134495333915455E+02 read=0.134495333915455E+02)
|
|
Weight for this step=0.14166E+00 -.35631E+01
|
|
beta (00000306)=0.134495333915455E+02
|
|
gamma(00000306)=0.134495333915455E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 306
|
|
z1= 1 -.898325725562127E-06 0.000000000000000E+00
|
|
z1= 2 -.394639419778976E-07 0.000000000000000E+00
|
|
z1= 3 -.426466961671488E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000306)=0.000000000000000E+00
|
|
(calc=0.127987548196408E+02 read=0.127987548196408E+02)
|
|
Weight for this step=0.17239E+00 -.49247E+01
|
|
beta (00000307)=0.127987548196408E+02
|
|
gamma(00000307)=0.127987548196408E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 307
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000307)=0.000000000000000E+00
|
|
(calc=0.135696286728768E+02 read=0.135696286728768E+02)
|
|
Weight for this step=-.13967E+00 0.34924E+01
|
|
beta (00000308)=0.135696286728768E+02
|
|
gamma(00000308)=0.135696286728768E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 308
|
|
z1= 1 0.883900267442434E-06 0.000000000000000E+00
|
|
z1= 2 0.676048127881473E-07 0.000000000000000E+00
|
|
z1= 3 0.239683958884571E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000308)=0.000000000000000E+00
|
|
(calc=0.127885424282874E+02 read=0.127885424282874E+02)
|
|
Weight for this step=-.16959E+00 0.48134E+01
|
|
beta (00000309)=0.127885424282874E+02
|
|
gamma(00000309)=0.127885424282874E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 309
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000309)=0.000000000000000E+00
|
|
(calc=0.133077706194535E+02 read=0.133077706194535E+02)
|
|
Weight for this step=0.13914E+00 -.34593E+01
|
|
beta (00000310)=0.133077706194535E+02
|
|
gamma(00000310)=0.133077706194535E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 310
|
|
z1= 1 -.877730504446889E-06 0.000000000000000E+00
|
|
z1= 2 -.111977246935947E-06 0.000000000000000E+00
|
|
z1= 3 -.705534329373504E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000310)=0.000000000000000E+00
|
|
(calc=0.127286652128317E+02 read=0.127286652128317E+02)
|
|
Weight for this step=0.17008E+00 -.47957E+01
|
|
beta (00000311)=0.127286652128317E+02
|
|
gamma(00000311)=0.127286652128317E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 311
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000311)=0.000000000000000E+00
|
|
(calc=0.134430723654603E+02 read=0.134430723654603E+02)
|
|
Weight for this step=-.13635E+00 0.33701E+01
|
|
beta (00000312)=0.134430723654603E+02
|
|
gamma(00000312)=0.134430723654603E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 312
|
|
z1= 1 0.863238084699953E-06 0.000000000000000E+00
|
|
z1= 2 0.136260184745466E-06 0.000000000000000E+00
|
|
z1= 3 -.739101787417412E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000312)=0.000000000000000E+00
|
|
(calc=0.128578417714761E+02 read=0.128578417714761E+02)
|
|
Weight for this step=-.16793E+00 0.47050E+01
|
|
beta (00000313)=0.128578417714761E+02
|
|
gamma(00000313)=0.128578417714761E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 313
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000313)=0.000000000000000E+00
|
|
(calc=0.132261668904193E+02 read=0.132261668904193E+02)
|
|
Weight for this step=0.13364E+00 -.32840E+01
|
|
beta (00000314)=0.132261668904193E+02
|
|
gamma(00000314)=0.132261668904193E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 314
|
|
z1= 1 -.880491916493032E-06 0.000000000000000E+00
|
|
z1= 2 -.152204755812357E-06 0.000000000000000E+00
|
|
z1= 3 0.259051417070941E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000314)=0.000000000000000E+00
|
|
(calc=0.124474653558697E+02 read=0.124474653558697E+02)
|
|
Weight for this step=0.17011E+00 -.47365E+01
|
|
beta (00000315)=0.124474653558697E+02
|
|
gamma(00000315)=0.124474653558697E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 315
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000315)=0.000000000000000E+00
|
|
(calc=0.134572295461685E+02 read=0.134572295461685E+02)
|
|
Weight for this step=-.13267E+00 0.32403E+01
|
|
beta (00000316)=0.134572295461685E+02
|
|
gamma(00000316)=0.134572295461685E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 316
|
|
z1= 1 0.855648727509880E-06 0.000000000000000E+00
|
|
z1= 2 0.114089638967967E-06 0.000000000000000E+00
|
|
z1= 3 -.403939736499230E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000316)=0.000000000000000E+00
|
|
(calc=0.125627955037059E+02 read=0.125627955037059E+02)
|
|
Weight for this step=-.16404E+00 0.45387E+01
|
|
beta (00000317)=0.125627955037059E+02
|
|
gamma(00000317)=0.125627955037059E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 317
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000317)=0.000000000000000E+00
|
|
(calc=0.134454928742506E+02 read=0.134454928742506E+02)
|
|
Weight for this step=0.13321E+00 -.32346E+01
|
|
beta (00000318)=0.134454928742506E+02
|
|
gamma(00000318)=0.134454928742506E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 318
|
|
z1= 1 -.844807595412373E-06 0.000000000000000E+00
|
|
z1= 2 -.121145142256023E-06 0.000000000000000E+00
|
|
z1= 3 0.507365695535941E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000318)=0.000000000000000E+00
|
|
(calc=0.125691302141704E+02 read=0.125691302141704E+02)
|
|
Weight for this step=0.16000E+00 -.43982E+01
|
|
beta (00000319)=0.125691302141704E+02
|
|
gamma(00000319)=0.125691302141704E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 319
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000319)=0.000000000000000E+00
|
|
(calc=0.132683663925298E+02 read=0.132683663925298E+02)
|
|
Weight for this step=-.13381E+00 0.32311E+01
|
|
beta (00000320)=0.132683663925298E+02
|
|
gamma(00000320)=0.132683663925298E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 320
|
|
z1= 1 0.850280824967115E-06 0.000000000000000E+00
|
|
z1= 2 0.824821224012368E-07 0.000000000000000E+00
|
|
z1= 3 -.613601695922263E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000320)=0.000000000000000E+00
|
|
(calc=0.128768110279527E+02 read=0.128768110279527E+02)
|
|
Weight for this step=-.15841E+00 0.43258E+01
|
|
beta (00000321)=0.128768110279527E+02
|
|
gamma(00000321)=0.128768110279527E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 321
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000321)=0.000000000000000E+00
|
|
(calc=0.135396497745297E+02 read=0.135396497745297E+02)
|
|
Weight for this step=0.12949E+00 -.31094E+01
|
|
beta (00000322)=0.135396497745297E+02
|
|
gamma(00000322)=0.135396497745297E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 322
|
|
z1= 1 -.859388994718354E-06 0.000000000000000E+00
|
|
z1= 2 -.682788659457298E-07 0.000000000000000E+00
|
|
z1= 3 0.611415171835786E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000322)=0.000000000000000E+00
|
|
(calc=0.127480230295985E+02 read=0.127480230295985E+02)
|
|
Weight for this step=0.15715E+00 -.42643E+01
|
|
beta (00000323)=0.127480230295985E+02
|
|
gamma(00000323)=0.127480230295985E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 323
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000323)=0.000000000000000E+00
|
|
(calc=0.132686535438582E+02 read=0.132686535438582E+02)
|
|
Weight for this step=-.12913E+00 0.30835E+01
|
|
beta (00000324)=0.132686535438582E+02
|
|
gamma(00000324)=0.132686535438582E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 324
|
|
z1= 1 0.867822754048854E-06 0.000000000000000E+00
|
|
z1= 2 0.230282640349211E-07 0.000000000000000E+00
|
|
z1= 3 -.593169576848551E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000324)=0.000000000000000E+00
|
|
(calc=0.127942782488542E+02 read=0.127942782488542E+02)
|
|
Weight for this step=-.15758E+00 0.42491E+01
|
|
beta (00000325)=0.127942782488542E+02
|
|
gamma(00000325)=0.127942782488542E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 325
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000325)=0.000000000000000E+00
|
|
(calc=0.137026903697314E+02 read=0.137026903697314E+02)
|
|
Weight for this step=0.12552E+00 -.29805E+01
|
|
beta (00000326)=0.137026903697314E+02
|
|
gamma(00000326)=0.137026903697314E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 326
|
|
z1= 1 -.846318298243758E-06 0.000000000000000E+00
|
|
z1= 2 -.422199867368997E-07 0.000000000000000E+00
|
|
z1= 3 0.515054913427835E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000326)=0.000000000000000E+00
|
|
(calc=0.126562903837119E+02 read=0.126562903837119E+02)
|
|
Weight for this step=0.15335E+00 -.41098E+01
|
|
beta (00000327)=0.126562903837119E+02
|
|
gamma(00000327)=0.126562903837119E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 327
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000327)=0.000000000000000E+00
|
|
(calc=0.132710876207405E+02 read=0.132710876207405E+02)
|
|
Weight for this step=-.12764E+00 0.30143E+01
|
|
beta (00000328)=0.132710876207405E+02
|
|
gamma(00000328)=0.132710876207405E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 328
|
|
z1= 1 0.850153775519222E-06 0.000000000000000E+00
|
|
z1= 2 0.840304238409854E-09 0.000000000000000E+00
|
|
z1= 3 -.372100983301336E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000328)=0.000000000000000E+00
|
|
(calc=0.128093879753903E+02 read=0.128093879753903E+02)
|
|
Weight for this step=-.15277E+00 0.40681E+01
|
|
beta (00000329)=0.128093879753903E+02
|
|
gamma(00000329)=0.128093879753903E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 329
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000329)=0.000000000000000E+00
|
|
(calc=0.136222136818207E+02 read=0.136222136818207E+02)
|
|
Weight for this step=0.12412E+00 -.29151E+01
|
|
beta (00000330)=0.136222136818207E+02
|
|
gamma(00000330)=0.136222136818207E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 330
|
|
z1= 1 -.844103226407789E-06 0.000000000000000E+00
|
|
z1= 2 -.621522715932299E-08 0.000000000000000E+00
|
|
z1= 3 0.204082680014494E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000330)=0.000000000000000E+00
|
|
(calc=0.126670155461000E+02 read=0.126670155461000E+02)
|
|
Weight for this step=0.14983E+00 -.39654E+01
|
|
beta (00000331)=0.126670155461000E+02
|
|
gamma(00000331)=0.126670155461000E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 331
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000331)=0.000000000000000E+00
|
|
(calc=0.133665195552515E+02 read=0.133665195552515E+02)
|
|
Weight for this step=-.12542E+00 0.29300E+01
|
|
beta (00000332)=0.133665195552515E+02
|
|
gamma(00000332)=0.133665195552515E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 332
|
|
z1= 1 0.845856735538710E-06 0.000000000000000E+00
|
|
z1= 2 -.369065611687967E-07 0.000000000000000E+00
|
|
z1= 3 0.539121473667678E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000332)=0.000000000000000E+00
|
|
(calc=0.128362148765585E+02 read=0.128362148765585E+02)
|
|
Weight for this step=-.14835E+00 0.39014E+01
|
|
beta (00000333)=0.128362148765585E+02
|
|
gamma(00000333)=0.128362148765585E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 333
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000333)=0.000000000000000E+00
|
|
(calc=0.134610356272610E+02 read=0.134610356272610E+02)
|
|
Weight for this step=0.12273E+00 -.28521E+01
|
|
beta (00000334)=0.134610356272610E+02
|
|
gamma(00000334)=0.134610356272610E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 334
|
|
z1= 1 -.858421598338229E-06 0.000000000000000E+00
|
|
z1= 2 0.389724881014560E-07 0.000000000000000E+00
|
|
z1= 3 -.149842481847965E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000334)=0.000000000000000E+00
|
|
(calc=0.124678085059625E+02 read=0.124678085059625E+02)
|
|
Weight for this step=0.14765E+00 -.38590E+01
|
|
beta (00000335)=0.124678085059625E+02
|
|
gamma(00000335)=0.124678085059625E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 335
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000335)=0.000000000000000E+00
|
|
(calc=0.130935794311875E+02 read=0.130935794311875E+02)
|
|
Weight for this step=-.12445E+00 0.28767E+01
|
|
beta (00000336)=0.130935794311875E+02
|
|
gamma(00000336)=0.130935794311875E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 336
|
|
z1= 1 0.877570924426806E-06 0.000000000000000E+00
|
|
z1= 2 -.107652106678176E-06 0.000000000000000E+00
|
|
z1= 3 0.268413491873591E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000336)=0.000000000000000E+00
|
|
(calc=0.129076557638503E+02 read=0.129076557638503E+02)
|
|
Weight for this step=-.14703E+00 0.38184E+01
|
|
beta (00000337)=0.129076557638503E+02
|
|
gamma(00000337)=0.129076557638503E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 337
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000337)=0.000000000000000E+00
|
|
(calc=0.135012750844191E+02 read=0.135012750844191E+02)
|
|
Weight for this step=0.11849E+00 -.27245E+01
|
|
beta (00000338)=0.135012750844191E+02
|
|
gamma(00000338)=0.135012750844191E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 338
|
|
z1= 1 -.895659383552097E-06 0.000000000000000E+00
|
|
z1= 2 0.125122275080865E-06 0.000000000000000E+00
|
|
z1= 3 -.430408545219299E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000338)=0.000000000000000E+00
|
|
(calc=0.126384417861600E+02 read=0.126384417861600E+02)
|
|
Weight for this step=0.14651E+00 -.37826E+01
|
|
beta (00000339)=0.126384417861600E+02
|
|
gamma(00000339)=0.126384417861600E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 339
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000339)=0.000000000000000E+00
|
|
(calc=0.132421932688249E+02 read=0.132421932688249E+02)
|
|
Weight for this step=-.11869E+00 0.27146E+01
|
|
beta (00000340)=0.132421932688249E+02
|
|
gamma(00000340)=0.132421932688249E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 340
|
|
z1= 1 0.918066488875312E-06 0.000000000000000E+00
|
|
z1= 2 -.184947598884583E-06 0.000000000000000E+00
|
|
z1= 3 0.595932060826173E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000340)=0.000000000000000E+00
|
|
(calc=0.126706887890930E+02 read=0.126706887890930E+02)
|
|
Weight for this step=-.14591E+00 0.37443E+01
|
|
beta (00000341)=0.126706887890930E+02
|
|
gamma(00000341)=0.126706887890930E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 341
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000341)=0.000000000000000E+00
|
|
(calc=0.136753373053318E+02 read=0.136753373053318E+02)
|
|
Weight for this step=0.11621E+00 -.26437E+01
|
|
beta (00000342)=0.136753373053318E+02
|
|
gamma(00000342)=0.136753373053318E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 342
|
|
z1= 1 -.913329590250772E-06 0.000000000000000E+00
|
|
z1= 2 0.178172007115241E-06 0.000000000000000E+00
|
|
z1= 3 -.712408318393627E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000342)=0.000000000000000E+00
|
|
(calc=0.127943450206585E+02 read=0.127943450206585E+02)
|
|
Weight for this step=0.14094E+00 -.35958E+01
|
|
beta (00000343)=0.127943450206585E+02
|
|
gamma(00000343)=0.127943450206585E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 343
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000343)=0.000000000000000E+00
|
|
(calc=0.135431202081270E+02 read=0.135431202081270E+02)
|
|
Weight for this step=-.11672E+00 0.26417E+01
|
|
beta (00000344)=0.135431202081270E+02
|
|
gamma(00000344)=0.135431202081270E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 344
|
|
z1= 1 0.934064281816918E-06 0.000000000000000E+00
|
|
z1= 2 -.216101643131235E-06 0.000000000000000E+00
|
|
z1= 3 0.858067265076525E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000344)=0.000000000000000E+00
|
|
(calc=0.129528039587151E+02 read=0.129528039587151E+02)
|
|
Weight for this step=-.13899E+00 0.35246E+01
|
|
beta (00000345)=0.129528039587151E+02
|
|
gamma(00000345)=0.129528039587151E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 345
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000345)=0.000000000000000E+00
|
|
(calc=0.134551379514854E+02 read=0.134551379514854E+02)
|
|
Weight for this step=0.11475E+00 -.25840E+01
|
|
beta (00000346)=0.134551379514854E+02
|
|
gamma(00000346)=0.134551379514854E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 346
|
|
z1= 1 -.961737927528903E-06 0.000000000000000E+00
|
|
z1= 2 0.223189404202867E-06 0.000000000000000E+00
|
|
z1= 3 -.104525541344297E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000346)=0.000000000000000E+00
|
|
(calc=0.125652063363612E+02 read=0.125652063363612E+02)
|
|
Weight for this step=0.13957E+00 -.35188E+01
|
|
beta (00000347)=0.125652063363612E+02
|
|
gamma(00000347)=0.125652063363612E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 347
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000347)=0.000000000000000E+00
|
|
(calc=0.134783936134887E+02 read=0.134783936134887E+02)
|
|
Weight for this step=-.11532E+00 0.25837E+01
|
|
beta (00000348)=0.134783936134887E+02
|
|
gamma(00000348)=0.134783936134887E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 348
|
|
z1= 1 0.964491614513529E-06 0.000000000000000E+00
|
|
z1= 2 -.258539222059307E-06 0.000000000000000E+00
|
|
z1= 3 0.116958099299417E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000348)=0.000000000000000E+00
|
|
(calc=0.129740072766135E+02 read=0.129740072766135E+02)
|
|
Weight for this step=-.13591E+00 0.34058E+01
|
|
beta (00000349)=0.129740072766135E+02
|
|
gamma(00000349)=0.129740072766135E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 349
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000349)=0.000000000000000E+00
|
|
(calc=0.134297951183631E+02 read=0.134297951183631E+02)
|
|
Weight for this step=0.11269E+00 -.25123E+01
|
|
beta (00000350)=0.134297951183631E+02
|
|
gamma(00000350)=0.134297951183631E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 350
|
|
z1= 1 -.993142600357543E-06 0.000000000000000E+00
|
|
z1= 2 0.256627711565580E-06 0.000000000000000E+00
|
|
z1= 3 -.135361945559912E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000350)=0.000000000000000E+00
|
|
(calc=0.125508481507069E+02 read=0.125508481507069E+02)
|
|
Weight for this step=0.13698E+00 -.34127E+01
|
|
beta (00000351)=0.125508481507069E+02
|
|
gamma(00000351)=0.125508481507069E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 351
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000351)=0.000000000000000E+00
|
|
(calc=0.134338592024886E+02 read=0.134338592024886E+02)
|
|
Weight for this step=-.11316E+00 0.25103E+01
|
|
beta (00000352)=0.134338592024886E+02
|
|
gamma(00000352)=0.134338592024886E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 352
|
|
z1= 1 0.100484423383503E-05 0.000000000000000E+00
|
|
z1= 2 -.266206141483942E-06 0.000000000000000E+00
|
|
z1= 3 0.143566911387661E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000352)=0.000000000000000E+00
|
|
(calc=0.129531025588947E+02 read=0.129531025588947E+02)
|
|
Weight for this step=-.13367E+00 0.33107E+01
|
|
beta (00000353)=0.129531025588947E+02
|
|
gamma(00000353)=0.129531025588947E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 353
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000353)=0.000000000000000E+00
|
|
(calc=0.132873851586602E+02 read=0.132873851586602E+02)
|
|
Weight for this step=0.11035E+00 -.24362E+01
|
|
beta (00000354)=0.132873851586602E+02
|
|
gamma(00000354)=0.132873851586602E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 354
|
|
z1= 1 -.105127080067256E-05 0.000000000000000E+00
|
|
z1= 2 0.265805606574775E-06 0.000000000000000E+00
|
|
z1= 3 -.157576645599267E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000354)=0.000000000000000E+00
|
|
(calc=0.124749211916428E+02 read=0.124749211916428E+02)
|
|
Weight for this step=0.13593E+00 -.33474E+01
|
|
beta (00000355)=0.124749211916428E+02
|
|
gamma(00000355)=0.124749211916428E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 355
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000355)=0.000000000000000E+00
|
|
(calc=0.136130035589521E+02 read=0.136130035589521E+02)
|
|
Weight for this step=-.11014E+00 0.24192E+01
|
|
beta (00000356)=0.136130035589521E+02
|
|
gamma(00000356)=0.136130035589521E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 356
|
|
z1= 1 0.102588664688548E-05 0.000000000000000E+00
|
|
z1= 2 -.263165290542776E-06 0.000000000000000E+00
|
|
z1= 3 0.166805291112152E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000356)=0.000000000000000E+00
|
|
(calc=0.128740605637155E+02 read=0.128740605637155E+02)
|
|
Weight for this step=-.13004E+00 0.31839E+01
|
|
beta (00000357)=0.128740605637155E+02
|
|
gamma(00000357)=0.128740605637155E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 357
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000357)=0.000000000000000E+00
|
|
(calc=0.136854335673632E+02 read=0.136854335673632E+02)
|
|
Weight for this step=0.10960E+00 -.23962E+01
|
|
beta (00000358)=0.136854335673632E+02
|
|
gamma(00000358)=0.136854335673632E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 358
|
|
z1= 1 -.104557596819016E-05 0.000000000000000E+00
|
|
z1= 2 0.261827523835036E-06 0.000000000000000E+00
|
|
z1= 3 -.178727968344997E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000358)=0.000000000000000E+00
|
|
(calc=0.126594349078977E+02 read=0.126594349078977E+02)
|
|
Weight for this step=0.12775E+00 -.31097E+01
|
|
beta (00000359)=0.126594349078977E+02
|
|
gamma(00000359)=0.126594349078977E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 359
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000359)=0.000000000000000E+00
|
|
(calc=0.138515883939966E+02 read=0.138515883939966E+02)
|
|
Weight for this step=-.11163E+00 0.24296E+01
|
|
beta (00000360)=0.138515883939966E+02
|
|
gamma(00000360)=0.138515883939966E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 360
|
|
z1= 1 0.103529983025205E-05 0.000000000000000E+00
|
|
z1= 2 -.247960698768679E-06 0.000000000000000E+00
|
|
z1= 3 0.183613660513110E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000360)=0.000000000000000E+00
|
|
(calc=0.124128328994191E+02 read=0.124128328994191E+02)
|
|
Weight for this step=-.12220E+00 0.29569E+01
|
|
beta (00000361)=0.124128328994191E+02
|
|
gamma(00000361)=0.124128328994191E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 361
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000361)=0.000000000000000E+00
|
|
(calc=0.134328014588892E+02 read=0.134328014588892E+02)
|
|
Weight for this step=0.11788E+00 -.25553E+01
|
|
beta (00000362)=0.134328014588892E+02
|
|
gamma(00000362)=0.134328014588892E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 362
|
|
z1= 1 -.104550119655683E-05 0.000000000000000E+00
|
|
z1= 2 0.262189967194812E-06 0.000000000000000E+00
|
|
z1= 3 -.191589725695719E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000362)=0.000000000000000E+00
|
|
(calc=0.128797663491533E+02 read=0.128797663491533E+02)
|
|
Weight for this step=0.11886E+00 -.28569E+01
|
|
beta (00000363)=0.128797663491533E+02
|
|
gamma(00000363)=0.128797663491533E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 363
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000363)=0.000000000000000E+00
|
|
(calc=0.135103355849907E+02 read=0.135103355849907E+02)
|
|
Weight for this step=-.11668E+00 0.25198E+01
|
|
beta (00000364)=0.135103355849907E+02
|
|
gamma(00000364)=0.135103355849907E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 364
|
|
z1= 1 0.108766126385727E-05 0.000000000000000E+00
|
|
z1= 2 -.247017739963564E-06 0.000000000000000E+00
|
|
z1= 3 0.201948524572165E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000364)=0.000000000000000E+00
|
|
(calc=0.122994594563962E+02 read=0.122994594563962E+02)
|
|
Weight for this step=-.11915E+00 0.28456E+01
|
|
beta (00000365)=0.122994594563962E+02
|
|
gamma(00000365)=0.122994594563962E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 365
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000365)=0.000000000000000E+00
|
|
(calc=0.129062777509899E+02 read=0.129062777509899E+02)
|
|
Weight for this step=0.12160E+00 -.26164E+01
|
|
beta (00000366)=0.129062777509899E+02
|
|
gamma(00000366)=0.129062777509899E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 366
|
|
z1= 1 -.114131212271879E-05 0.000000000000000E+00
|
|
z1= 2 0.272727355148388E-06 0.000000000000000E+00
|
|
z1= 3 -.211655244489869E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000366)=0.000000000000000E+00
|
|
(calc=0.127034506719825E+02 read=0.127034506719825E+02)
|
|
Weight for this step=0.11992E+00 -.28445E+01
|
|
beta (00000367)=0.127034506719825E+02
|
|
gamma(00000367)=0.127034506719825E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 367
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000367)=0.000000000000000E+00
|
|
(calc=0.134766948016701E+02 read=0.134766948016701E+02)
|
|
Weight for this step=-.11714E+00 0.25117E+01
|
|
beta (00000368)=0.134766948016701E+02
|
|
gamma(00000368)=0.134766948016701E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 368
|
|
z1= 1 0.117145710117208E-05 0.000000000000000E+00
|
|
z1= 2 -.231418201918142E-06 0.000000000000000E+00
|
|
z1= 3 0.215020004751112E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000368)=0.000000000000000E+00
|
|
(calc=0.125626419984281E+02 read=0.125626419984281E+02)
|
|
Weight for this step=-.11892E+00 0.28033E+01
|
|
beta (00000369)=0.125626419984281E+02
|
|
gamma(00000369)=0.125626419984281E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 369
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000369)=0.000000000000000E+00
|
|
(calc=0.133692492072694E+02 read=0.133692492072694E+02)
|
|
Weight for this step=0.11924E+00 -.25483E+01
|
|
beta (00000370)=0.133692492072694E+02
|
|
gamma(00000370)=0.133692492072694E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 370
|
|
z1= 1 -.121027425345908E-05 0.000000000000000E+00
|
|
z1= 2 0.249701066810091E-06 0.000000000000000E+00
|
|
z1= 3 -.212543001670369E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000370)=0.000000000000000E+00
|
|
(calc=0.128826973691614E+02 read=0.128826973691614E+02)
|
|
Weight for this step=0.11777E+00 -.27589E+01
|
|
beta (00000371)=0.128826973691614E+02
|
|
gamma(00000371)=0.128826973691614E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 371
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000371)=0.000000000000000E+00
|
|
(calc=0.133106398040417E+02 read=0.133106398040417E+02)
|
|
Weight for this step=-.11754E+00 0.25044E+01
|
|
beta (00000372)=0.133106398040417E+02
|
|
gamma(00000372)=0.133106398040417E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 372
|
|
z1= 1 0.127230000902942E-05 0.000000000000000E+00
|
|
z1= 2 -.187918472759237E-06 0.000000000000000E+00
|
|
z1= 3 0.214724156124336E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000372)=0.000000000000000E+00
|
|
(calc=0.128998889817155E+02 read=0.128998889817155E+02)
|
|
Weight for this step=-.11995E+00 0.27934E+01
|
|
beta (00000373)=0.128998889817155E+02
|
|
gamma(00000373)=0.128998889817155E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 373
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000373)=0.000000000000000E+00
|
|
(calc=0.136448356973695E+02 read=0.136448356973695E+02)
|
|
Weight for this step=0.11498E+00 -.24424E+01
|
|
beta (00000374)=0.136448356973695E+02
|
|
gamma(00000374)=0.136448356973695E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 374
|
|
z1= 1 -.130818793281590E-05 0.000000000000000E+00
|
|
z1= 2 0.217900948492732E-06 0.000000000000000E+00
|
|
z1= 3 -.207157295029114E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000374)=0.000000000000000E+00
|
|
(calc=0.128456387119421E+02 read=0.128456387119421E+02)
|
|
Weight for this step=0.11910E+00 -.27580E+01
|
|
beta (00000375)=0.128456387119421E+02
|
|
gamma(00000375)=0.128456387119421E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 375
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000375)=0.000000000000000E+00
|
|
(calc=0.131827122335220E+02 read=0.131827122335220E+02)
|
|
Weight for this step=-.11585E+00 0.24538E+01
|
|
beta (00000376)=0.131827122335220E+02
|
|
gamma(00000376)=0.131827122335220E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 376
|
|
z1= 1 0.137681166167560E-05 0.000000000000000E+00
|
|
z1= 2 -.143846616661517E-06 0.000000000000000E+00
|
|
z1= 3 0.196861542758153E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000376)=0.000000000000000E+00
|
|
(calc=0.130315133237395E+02 read=0.130315133237395E+02)
|
|
Weight for this step=-.12199E+00 0.28094E+01
|
|
beta (00000377)=0.130315133237395E+02
|
|
gamma(00000377)=0.130315133237395E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 377
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000377)=0.000000000000000E+00
|
|
(calc=0.135748828858725E+02 read=0.135748828858725E+02)
|
|
Weight for this step=0.11085E+00 -.23412E+01
|
|
beta (00000378)=0.135748828858725E+02
|
|
gamma(00000378)=0.135748828858725E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 378
|
|
z1= 1 -.143853514602966E-05 0.000000000000000E+00
|
|
z1= 2 0.184505637759605E-06 0.000000000000000E+00
|
|
z1= 3 -.176134882907832E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000378)=0.000000000000000E+00
|
|
(calc=0.125824292375232E+02 read=0.125824292375232E+02)
|
|
Weight for this step=0.12263E+00 -.28098E+01
|
|
beta (00000379)=0.125824292375232E+02
|
|
gamma(00000379)=0.125824292375232E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 379
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000379)=0.000000000000000E+00
|
|
(calc=0.133817811372825E+02 read=0.133817811372825E+02)
|
|
Weight for this step=-.11299E+00 0.23797E+01
|
|
beta (00000380)=0.133817811372825E+02
|
|
gamma(00000380)=0.133817811372825E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 380
|
|
z1= 1 0.146332171315804E-05 0.000000000000000E+00
|
|
z1= 2 -.101714448351789E-06 0.000000000000000E+00
|
|
z1= 3 0.147093627043692E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000380)=0.000000000000000E+00
|
|
(calc=0.131035197958078E+02 read=0.131035197958078E+02)
|
|
Weight for this step=-.12101E+00 0.27584E+01
|
|
beta (00000381)=0.131035197958078E+02
|
|
gamma(00000381)=0.131035197958078E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 381
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000381)=0.000000000000000E+00
|
|
(calc=0.134408646313890E+02 read=0.134408646313890E+02)
|
|
Weight for this step=0.10914E+00 -.22924E+01
|
|
beta (00000382)=0.134408646313890E+02
|
|
gamma(00000382)=0.134408646313890E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 382
|
|
z1= 1 -.153024463397396E-05 0.000000000000000E+00
|
|
z1= 2 0.112534338627844E-06 0.000000000000000E+00
|
|
z1= 3 -.127878084786829E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000382)=0.000000000000000E+00
|
|
(calc=0.129349967806138E+02 read=0.129349967806138E+02)
|
|
Weight for this step=0.12346E+00 -.28008E+01
|
|
beta (00000383)=0.129349967806138E+02
|
|
gamma(00000383)=0.129349967806138E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 383
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000383)=0.000000000000000E+00
|
|
(calc=0.134944096150774E+02 read=0.134944096150774E+02)
|
|
Weight for this step=-.10694E+00 0.22404E+01
|
|
beta (00000384)=0.134944096150774E+02
|
|
gamma(00000384)=0.134944096150774E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 384
|
|
z1= 1 0.155375714784442E-05 0.000000000000000E+00
|
|
z1= 2 -.229042659838363E-07 0.000000000000000E+00
|
|
z1= 3 0.111247077829812E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000384)=0.000000000000000E+00
|
|
(calc=0.126533462667551E+02 read=0.126533462667551E+02)
|
|
Weight for this step=-.12369E+00 0.27933E+01
|
|
beta (00000385)=0.126533462667551E+02
|
|
gamma(00000385)=0.126533462667551E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 385
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000385)=0.000000000000000E+00
|
|
(calc=0.130169273392612E+02 read=0.130169273392612E+02)
|
|
Weight for this step=0.10743E+00 -.22448E+01
|
|
beta (00000386)=0.130169273392612E+02
|
|
gamma(00000386)=0.130169273392612E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 386
|
|
z1= 1 -.160214891425394E-05 0.000000000000000E+00
|
|
z1= 2 -.295432998399271E-08 0.000000000000000E+00
|
|
z1= 3 -.969001939364590E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000386)=0.000000000000000E+00
|
|
(calc=0.129062920159321E+02 read=0.129062920159321E+02)
|
|
Weight for this step=0.12581E+00 -.28282E+01
|
|
beta (00000387)=0.129062920159321E+02
|
|
gamma(00000387)=0.129062920159321E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 387
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000387)=0.000000000000000E+00
|
|
(calc=0.133571880844773E+02 read=0.133571880844773E+02)
|
|
Weight for this step=-.10175E+00 0.21206E+01
|
|
beta (00000388)=0.133571880844773E+02
|
|
gamma(00000388)=0.133571880844773E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 388
|
|
z1= 1 0.162752450160705E-05 0.000000000000000E+00
|
|
z1= 2 0.106546567620091E-06 0.000000000000000E+00
|
|
z1= 3 0.840174353654485E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000388)=0.000000000000000E+00
|
|
(calc=0.125858504389911E+02 read=0.125858504389911E+02)
|
|
Weight for this step=-.12671E+00 0.28366E+01
|
|
beta (00000389)=0.125858504389911E+02
|
|
gamma(00000389)=0.125858504389911E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 389
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000389)=0.000000000000000E+00
|
|
(calc=0.134760626930831E+02 read=0.134760626930831E+02)
|
|
Weight for this step=0.10117E+00 -.21030E+01
|
|
beta (00000390)=0.134760626930831E+02
|
|
gamma(00000390)=0.134760626930831E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 390
|
|
z1= 1 -.158866200541786E-05 0.000000000000000E+00
|
|
z1= 2 -.172679434100450E-06 0.000000000000000E+00
|
|
z1= 3 -.731679091260820E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000390)=0.000000000000000E+00
|
|
(calc=0.129061939159410E+02 read=0.129061939159410E+02)
|
|
Weight for this step=0.12341E+00 -.27514E+01
|
|
beta (00000391)=0.129061939159410E+02
|
|
gamma(00000391)=0.129061939159410E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 391
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000391)=0.000000000000000E+00
|
|
(calc=0.131950787381988E+02 read=0.131950787381988E+02)
|
|
Weight for this step=-.99167E-01 0.20563E+01
|
|
beta (00000392)=0.131950787381988E+02
|
|
gamma(00000392)=0.131950787381988E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 392
|
|
z1= 1 0.161866909418006E-05 0.000000000000000E+00
|
|
z1= 2 0.273481709362139E-06 0.000000000000000E+00
|
|
z1= 3 0.745916347394434E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000392)=0.000000000000000E+00
|
|
(calc=0.126542969630551E+02 read=0.126542969630551E+02)
|
|
Weight for this step=-.12578E+00 0.27932E+01
|
|
beta (00000393)=0.126542969630551E+02
|
|
gamma(00000393)=0.126542969630551E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 393
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000393)=0.000000000000000E+00
|
|
(calc=0.133841612018826E+02 read=0.133841612018826E+02)
|
|
Weight for this step=0.96678E-01 -.19997E+01
|
|
beta (00000394)=0.133841612018826E+02
|
|
gamma(00000394)=0.133841612018826E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 394
|
|
z1= 1 -.158809474912972E-05 0.000000000000000E+00
|
|
z1= 2 -.339923594764929E-06 0.000000000000000E+00
|
|
z1= 3 -.722972182756612E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000394)=0.000000000000000E+00
|
|
(calc=0.126876807496503E+02 read=0.126876807496503E+02)
|
|
Weight for this step=0.12380E+00 -.27386E+01
|
|
beta (00000395)=0.126876807496503E+02
|
|
gamma(00000395)=0.126876807496503E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 395
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000395)=0.000000000000000E+00
|
|
(calc=0.132038159500247E+02 read=0.132038159500247E+02)
|
|
Weight for this step=-.95381E-01 0.19682E+01
|
|
beta (00000396)=0.132038159500247E+02
|
|
gamma(00000396)=0.132038159500247E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 396
|
|
z1= 1 0.158568431852732E-05 0.000000000000000E+00
|
|
z1= 2 0.417288723686404E-06 0.000000000000000E+00
|
|
z1= 3 0.634900169733527E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000396)=0.000000000000000E+00
|
|
(calc=0.127102686656377E+02 read=0.127102686656377E+02)
|
|
Weight for this step=-.12384E+00 0.27292E+01
|
|
beta (00000397)=0.127102686656377E+02
|
|
gamma(00000397)=0.127102686656377E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 397
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000397)=0.000000000000000E+00
|
|
(calc=0.131579794101095E+02 read=0.131579794101095E+02)
|
|
Weight for this step=0.92492E-01 -.19041E+01
|
|
beta (00000398)=0.131579794101095E+02
|
|
gamma(00000398)=0.131579794101095E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 398
|
|
z1= 1 -.159067119077743E-05 0.000000000000000E+00
|
|
z1= 2 -.502314794576571E-06 0.000000000000000E+00
|
|
z1= 3 -.431060924727038E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000398)=0.000000000000000E+00
|
|
(calc=0.126877647007954E+02 read=0.126877647007954E+02)
|
|
Weight for this step=0.12437E+00 -.27310E+01
|
|
beta (00000399)=0.126877647007954E+02
|
|
gamma(00000399)=0.126877647007954E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 399
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000399)=0.000000000000000E+00
|
|
(calc=0.136083901818274E+02 read=0.136083901818274E+02)
|
|
Weight for this step=-.89288E-01 0.18338E+01
|
|
beta (00000400)=0.136083901818274E+02
|
|
gamma(00000400)=0.136083901818274E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 400
|
|
z1= 1 0.154612990634607E-05 0.000000000000000E+00
|
|
z1= 2 0.526454854262478E-06 0.000000000000000E+00
|
|
z1= 3 0.189934818955049E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000400)=0.000000000000000E+00
|
|
(calc=0.128719400965169E+02 read=0.128719400965169E+02)
|
|
Weight for this step=-.12039E+00 0.26345E+01
|
|
beta (00000401)=0.128719400965169E+02
|
|
gamma(00000401)=0.128719400965169E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 401
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000401)=0.000000000000000E+00
|
|
(calc=0.132282567864358E+02 read=0.132282567864358E+02)
|
|
Weight for this step=0.88070E-01 -.18047E+01
|
|
beta (00000402)=0.132282567864358E+02
|
|
gamma(00000402)=0.132282567864358E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 402
|
|
z1= 1 -.156014468677084E-05 0.000000000000000E+00
|
|
z1= 2 -.612063286274591E-06 0.000000000000000E+00
|
|
z1= 3 0.835909071935613E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000402)=0.000000000000000E+00
|
|
(calc=0.129674337641810E+02 read=0.129674337641810E+02)
|
|
Weight for this step=0.12164E+00 -.26528E+01
|
|
beta (00000403)=0.129674337641810E+02
|
|
gamma(00000403)=0.129674337641810E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 403
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000403)=0.000000000000000E+00
|
|
(calc=0.133464177619936E+02 read=0.133464177619936E+02)
|
|
Weight for this step=-.83496E-01 0.17071E+01
|
|
beta (00000404)=0.133464177619936E+02
|
|
gamma(00000404)=0.133464177619936E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 404
|
|
z1= 1 0.156719735088212E-05 0.000000000000000E+00
|
|
z1= 2 0.651033001011203E-06 0.000000000000000E+00
|
|
z1= 3 -.280802070311784E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000404)=0.000000000000000E+00
|
|
(calc=0.126603030847278E+02 read=0.126603030847278E+02)
|
|
Weight for this step=-.12241E+00 0.26612E+01
|
|
beta (00000405)=0.126603030847278E+02
|
|
gamma(00000405)=0.126603030847278E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 405
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000405)=0.000000000000000E+00
|
|
(calc=0.135477418865919E+02 read=0.135477418865919E+02)
|
|
Weight for this step=0.81481E-01 -.16620E+01
|
|
beta (00000406)=0.135477418865919E+02
|
|
gamma(00000406)=0.135477418865919E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 406
|
|
z1= 1 -.151492951209697E-05 0.000000000000000E+00
|
|
z1= 2 -.679922599172256E-06 0.000000000000000E+00
|
|
z1= 3 0.445979697657934E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000406)=0.000000000000000E+00
|
|
(calc=0.127114632111100E+02 read=0.127114632111100E+02)
|
|
Weight for this step=0.11845E+00 -.25672E+01
|
|
beta (00000407)=0.127114632111100E+02
|
|
gamma(00000407)=0.127114632111100E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 407
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000407)=0.000000000000000E+00
|
|
(calc=0.130764906374438E+02 read=0.130764906374438E+02)
|
|
Weight for this step=-.80540E-01 0.16392E+01
|
|
beta (00000408)=0.130764906374438E+02
|
|
gamma(00000408)=0.130764906374438E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 408
|
|
z1= 1 0.153820581013915E-05 0.000000000000000E+00
|
|
z1= 2 0.679293838960391E-06 0.000000000000000E+00
|
|
z1= 3 -.686985345386890E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000408)=0.000000000000000E+00
|
|
(calc=0.129445344361590E+02 read=0.129445344361590E+02)
|
|
Weight for this step=-.11930E+00 0.25776E+01
|
|
beta (00000409)=0.129445344361590E+02
|
|
gamma(00000409)=0.129445344361590E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 409
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000409)=0.000000000000000E+00
|
|
(calc=0.133572084191845E+02 read=0.133572084191845E+02)
|
|
Weight for this step=0.75129E-01 -.15256E+01
|
|
beta (00000410)=0.133572084191845E+02
|
|
gamma(00000410)=0.133572084191845E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 410
|
|
z1= 1 -.154846834304727E-05 0.000000000000000E+00
|
|
z1= 2 -.731872611127470E-06 0.000000000000000E+00
|
|
z1= 3 0.927556207086427E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000410)=0.000000000000000E+00
|
|
(calc=0.128095543370521E+02 read=0.128095543370521E+02)
|
|
Weight for this step=0.11941E+00 -.25727E+01
|
|
beta (00000411)=0.128095543370521E+02
|
|
gamma(00000411)=0.128095543370521E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 411
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000411)=0.000000000000000E+00
|
|
(calc=0.138140877714809E+02 read=0.138140877714809E+02)
|
|
Weight for this step=-.72038E-01 0.14593E+01
|
|
beta (00000412)=0.138140877714809E+02
|
|
gamma(00000412)=0.138140877714809E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 412
|
|
z1= 1 0.150531457786572E-05 0.000000000000000E+00
|
|
z1= 2 0.697426756417121E-06 0.000000000000000E+00
|
|
z1= 3 -.106207165302378E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000412)=0.000000000000000E+00
|
|
(calc=0.124499041269609E+02 read=0.124499041269609E+02)
|
|
Weight for this step=-.11425E+00 0.24548E+01
|
|
beta (00000413)=0.124499041269609E+02
|
|
gamma(00000413)=0.124499041269609E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 413
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000413)=0.000000000000000E+00
|
|
(calc=0.133787623580096E+02 read=0.133787623580096E+02)
|
|
Weight for this step=0.73727E-01 -.14902E+01
|
|
beta (00000414)=0.133787623580096E+02
|
|
gamma(00000414)=0.133787623580096E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 414
|
|
z1= 1 -.146616124358483E-05 0.000000000000000E+00
|
|
z1= 2 -.729310780607940E-06 0.000000000000000E+00
|
|
z1= 3 0.111328319800315E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000414)=0.000000000000000E+00
|
|
(calc=0.130605798032988E+02 read=0.130605798032988E+02)
|
|
Weight for this step=0.11003E+00 -.23572E+01
|
|
beta (00000415)=0.130605798032988E+02
|
|
gamma(00000415)=0.130605798032988E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 415
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000415)=0.000000000000000E+00
|
|
(calc=0.135228159456446E+02 read=0.135228159456446E+02)
|
|
Weight for this step=-.69828E-01 0.14084E+01
|
|
beta (00000416)=0.135228159456446E+02
|
|
gamma(00000416)=0.135228159456446E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 416
|
|
z1= 1 0.148758999376206E-05 0.000000000000000E+00
|
|
z1= 2 0.706530505301855E-06 0.000000000000000E+00
|
|
z1= 3 -.106537402068291E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000416)=0.000000000000000E+00
|
|
(calc=0.126275316721428E+02 read=0.126275316721428E+02)
|
|
Weight for this step=-.10976E+00 0.23448E+01
|
|
beta (00000417)=0.126275316721428E+02
|
|
gamma(00000417)=0.126275316721428E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 417
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000417)=0.000000000000000E+00
|
|
(calc=0.138147940586449E+02 read=0.138147940586449E+02)
|
|
Weight for this step=0.68903E-01 -.13867E+01
|
|
beta (00000418)=0.138147940586449E+02
|
|
gamma(00000418)=0.138147940586449E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 418
|
|
z1= 1 -.142187706116061E-05 0.000000000000000E+00
|
|
z1= 2 -.721984122864982E-06 0.000000000000000E+00
|
|
z1= 3 0.855613633287573E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000418)=0.000000000000000E+00
|
|
(calc=0.126621266527208E+02 read=0.126621266527208E+02)
|
|
Weight for this step=0.10369E+00 -.22090E+01
|
|
beta (00000419)=0.126621266527208E+02
|
|
gamma(00000419)=0.126621266527208E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 419
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000419)=0.000000000000000E+00
|
|
(calc=0.135334961801957E+02 read=0.135334961801957E+02)
|
|
Weight for this step=-.69641E-01 0.13987E+01
|
|
beta (00000420)=0.135334961801957E+02
|
|
gamma(00000420)=0.135334961801957E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 420
|
|
z1= 1 0.140528551216849E-05 0.000000000000000E+00
|
|
z1= 2 0.663971992409659E-06 0.000000000000000E+00
|
|
z1= 3 -.679847993761140E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000420)=0.000000000000000E+00
|
|
(calc=0.128427800532329E+02 read=0.128427800532329E+02)
|
|
Weight for this step=-.10049E+00 0.21344E+01
|
|
beta (00000421)=0.128427800532329E+02
|
|
gamma(00000421)=0.128427800532329E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 421
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000421)=0.000000000000000E+00
|
|
(calc=0.130972381782816E+02 read=0.130972381782816E+02)
|
|
Weight for this step=0.68098E-01 -.13651E+01
|
|
beta (00000422)=0.130972381782816E+02
|
|
gamma(00000422)=0.130972381782816E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 422
|
|
z1= 1 -.145381828561841E-05 0.000000000000000E+00
|
|
z1= 2 -.695378871064505E-06 0.000000000000000E+00
|
|
z1= 3 0.621482268328595E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000422)=0.000000000000000E+00
|
|
(calc=0.127561520897601E+02 read=0.127561520897601E+02)
|
|
Weight for this step=0.10204E+00 -.21612E+01
|
|
beta (00000423)=0.127561520897601E+02
|
|
gamma(00000423)=0.127561520897601E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 423
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000423)=0.000000000000000E+00
|
|
(calc=0.136009993655058E+02 read=0.136009993655058E+02)
|
|
Weight for this step=-.64513E-01 0.12907E+01
|
|
beta (00000424)=0.136009993655058E+02
|
|
gamma(00000424)=0.136009993655058E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 424
|
|
z1= 1 0.143490560604287E-05 0.000000000000000E+00
|
|
z1= 2 0.607623718265528E-06 0.000000000000000E+00
|
|
z1= 3 -.547571648853100E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000424)=0.000000000000000E+00
|
|
(calc=0.123518205979464E+02 read=0.123518205979464E+02)
|
|
Weight for this step=-.98903E-01 0.20891E+01
|
|
beta (00000425)=0.123518205979464E+02
|
|
gamma(00000425)=0.123518205979464E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 425
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000425)=0.000000000000000E+00
|
|
(calc=0.137429613049663E+02 read=0.137429613049663E+02)
|
|
Weight for this step=0.65627E-01 -.13106E+01
|
|
beta (00000426)=0.137429613049663E+02
|
|
gamma(00000426)=0.137429613049663E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 426
|
|
z1= 1 -.137279676169582E-05 0.000000000000000E+00
|
|
z1= 2 -.577960810490717E-06 0.000000000000000E+00
|
|
z1= 3 0.421943919713681E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000426)=0.000000000000000E+00
|
|
(calc=0.127408214535623E+02 read=0.127408214535623E+02)
|
|
Weight for this step=0.92113E-01 -.19400E+01
|
|
beta (00000427)=0.127408214535623E+02
|
|
gamma(00000427)=0.127408214535623E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 427
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000427)=0.000000000000000E+00
|
|
(calc=0.133044973477618E+02 read=0.133044973477618E+02)
|
|
Weight for this step=-.65904E-01 0.13140E+01
|
|
beta (00000428)=0.133044973477618E+02
|
|
gamma(00000428)=0.133044973477618E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 428
|
|
z1= 1 0.141782046936181E-05 0.000000000000000E+00
|
|
z1= 2 0.516868737816269E-06 0.000000000000000E+00
|
|
z1= 3 -.212762144393450E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000428)=0.000000000000000E+00
|
|
(calc=0.128353544095956E+02 read=0.128353544095956E+02)
|
|
Weight for this step=-.91551E-01 0.19225E+01
|
|
beta (00000429)=0.128353544095956E+02
|
|
gamma(00000429)=0.128353544095956E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 429
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000429)=0.000000000000000E+00
|
|
(calc=0.132090497151444E+02 read=0.132090497151444E+02)
|
|
Weight for this step=0.63494E-01 -.12640E+01
|
|
beta (00000430)=0.132090497151444E+02
|
|
gamma(00000430)=0.132090497151444E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 430
|
|
z1= 1 -.145982716117266E-05 0.000000000000000E+00
|
|
z1= 2 -.528339139896578E-06 0.000000000000000E+00
|
|
z1= 3 -.141288262773532E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000430)=0.000000000000000E+00
|
|
(calc=0.129472435777760E+02 read=0.129472435777760E+02)
|
|
Weight for this step=0.92204E-01 -.19307E+01
|
|
beta (00000431)=0.129472435777760E+02
|
|
gamma(00000431)=0.129472435777760E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 431
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000431)=0.000000000000000E+00
|
|
(calc=0.135190703013985E+02 read=0.135190703013985E+02)
|
|
Weight for this step=-.59967E-01 0.11919E+01
|
|
beta (00000432)=0.135190703013985E+02
|
|
gamma(00000432)=0.135190703013985E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 432
|
|
z1= 1 0.147052147750522E-05 0.000000000000000E+00
|
|
z1= 2 0.457657918679537E-06 0.000000000000000E+00
|
|
z1= 3 0.469821592272358E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000432)=0.000000000000000E+00
|
|
(calc=0.125895558447640E+02 read=0.125895558447640E+02)
|
|
Weight for this step=-.91295E-01 0.19068E+01
|
|
beta (00000433)=0.125895558447640E+02
|
|
gamma(00000433)=0.125895558447640E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 433
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000433)=0.000000000000000E+00
|
|
(calc=0.137837506127573E+02 read=0.137837506127573E+02)
|
|
Weight for this step=0.59496E-01 -.11808E+01
|
|
beta (00000434)=0.137837506127573E+02
|
|
gamma(00000434)=0.137837506127573E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 434
|
|
z1= 1 -.141464906198291E-05 0.000000000000000E+00
|
|
z1= 2 -.448470689291586E-06 0.000000000000000E+00
|
|
z1= 3 -.699539713353001E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000434)=0.000000000000000E+00
|
|
(calc=0.128837871725798E+02 read=0.128837871725798E+02)
|
|
Weight for this step=0.86297E-01 -.17976E+01
|
|
beta (00000435)=0.128837871725798E+02
|
|
gamma(00000435)=0.128837871725798E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 435
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000435)=0.000000000000000E+00
|
|
(calc=0.132266147154652E+02 read=0.132266147154652E+02)
|
|
Weight for this step=-.59128E-01 0.11720E+01
|
|
beta (00000436)=0.132266147154652E+02
|
|
gamma(00000436)=0.132266147154652E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 436
|
|
z1= 1 0.147273113910464E-05 0.000000000000000E+00
|
|
z1= 2 0.406513846249292E-06 0.000000000000000E+00
|
|
z1= 3 0.900608087873407E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000436)=0.000000000000000E+00
|
|
(calc=0.129067997987740E+02 read=0.129067997987740E+02)
|
|
Weight for this step=-.87075E-01 0.18090E+01
|
|
beta (00000437)=0.129067997987740E+02
|
|
gamma(00000437)=0.129067997987740E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 437
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000437)=0.000000000000000E+00
|
|
(calc=0.128547229416295E+02 read=0.128547229416295E+02)
|
|
Weight for this step=0.56037E-01 -.11093E+01
|
|
beta (00000438)=0.128547229416295E+02
|
|
gamma(00000438)=0.128547229416295E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 438
|
|
z1= 1 -.157848638437079E-05 0.000000000000000E+00
|
|
z1= 2 -.416039479493124E-06 0.000000000000000E+00
|
|
z1= 3 -.935635257585585E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000438)=0.000000000000000E+00
|
|
(calc=0.127824543107614E+02 read=0.127824543107614E+02)
|
|
Weight for this step=0.90368E-01 -.18728E+01
|
|
beta (00000439)=0.127824543107614E+02
|
|
gamma(00000439)=0.127824543107614E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 439
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000439)=0.000000000000000E+00
|
|
(calc=0.133184571088201E+02 read=0.133184571088201E+02)
|
|
Weight for this step=-.51579E-01 0.10196E+01
|
|
beta (00000440)=0.133184571088201E+02
|
|
gamma(00000440)=0.133184571088201E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 440
|
|
z1= 1 0.160455407259539E-05 0.000000000000000E+00
|
|
z1= 2 0.386224118476333E-06 0.000000000000000E+00
|
|
z1= 3 0.810786448013896E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000440)=0.000000000000000E+00
|
|
(calc=0.124654903111043E+02 read=0.124654903111043E+02)
|
|
Weight for this step=-.89343E-01 0.18476E+01
|
|
beta (00000441)=0.124654903111043E+02
|
|
gamma(00000441)=0.124654903111043E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 441
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000441)=0.000000000000000E+00
|
|
(calc=0.134802894187853E+02 read=0.134802894187853E+02)
|
|
Weight for this step=0.50269E-01 -.99237E+00
|
|
beta (00000442)=0.134802894187853E+02
|
|
gamma(00000442)=0.134802894187853E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 442
|
|
z1= 1 -.157824705911011E-05 0.000000000000000E+00
|
|
z1= 2 -.370504769232568E-06 0.000000000000000E+00
|
|
z1= 3 -.516723672055309E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000442)=0.000000000000000E+00
|
|
(calc=0.125905872635202E+02 read=0.125905872635202E+02)
|
|
Weight for this step=0.85132E-01 -.17567E+01
|
|
beta (00000443)=0.125905872635202E+02
|
|
gamma(00000443)=0.125905872635202E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 443
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000443)=0.000000000000000E+00
|
|
(calc=0.133373843698145E+02 read=0.133373843698145E+02)
|
|
Weight for this step=-.49256E-01 0.97117E+00
|
|
beta (00000444)=0.133373843698145E+02
|
|
gamma(00000444)=0.133373843698145E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 444
|
|
z1= 1 0.159140581428553E-05 0.000000000000000E+00
|
|
z1= 2 0.358438444400468E-06 0.000000000000000E+00
|
|
z1= 3 0.180811874267587E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000444)=0.000000000000000E+00
|
|
(calc=0.132098631454005E+02 read=0.132098631454005E+02)
|
|
Weight for this step=-.82855E-01 0.17060E+01
|
|
beta (00000445)=0.132098631454005E+02
|
|
gamma(00000445)=0.132098631454005E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 445
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000445)=0.000000000000000E+00
|
|
(calc=0.130285525989132E+02 read=0.130285525989132E+02)
|
|
Weight for this step=0.45496E-01 -.89602E+00
|
|
beta (00000446)=0.130285525989132E+02
|
|
gamma(00000446)=0.130285525989132E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 446
|
|
z1= 1 -.171096945112982E-05 0.000000000000000E+00
|
|
z1= 2 -.370815401022607E-06 0.000000000000000E+00
|
|
z1= 3 0.129774841020959E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000446)=0.000000000000000E+00
|
|
(calc=0.129522345513029E+02 read=0.129522345513029E+02)
|
|
Weight for this step=0.86363E-01 -.17747E+01
|
|
beta (00000447)=0.129522345513029E+02
|
|
gamma(00000447)=0.129522345513029E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 447
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000447)=0.000000000000000E+00
|
|
(calc=0.132092077659276E+02 read=0.132092077659276E+02)
|
|
Weight for this step=-.41262E-01 0.81161E+00
|
|
beta (00000448)=0.132092077659276E+02
|
|
gamma(00000448)=0.132092077659276E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 448
|
|
z1= 1 0.176586606393902E-05 0.000000000000000E+00
|
|
z1= 2 0.391112146086664E-06 0.000000000000000E+00
|
|
z1= 3 -.343660162654778E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000448)=0.000000000000000E+00
|
|
(calc=0.129489694678041E+02 read=0.129489694678041E+02)
|
|
Weight for this step=-.86789E-01 0.17804E+01
|
|
beta (00000449)=0.129489694678041E+02
|
|
gamma(00000449)=0.129489694678041E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 449
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000449)=0.000000000000000E+00
|
|
(calc=0.136504025432705E+02 read=0.136504025432705E+02)
|
|
Weight for this step=0.37567E-01 -.73792E+00
|
|
beta (00000450)=0.136504025432705E+02
|
|
gamma(00000450)=0.136504025432705E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 450
|
|
z1= 1 -.174801863420267E-05 0.000000000000000E+00
|
|
z1= 2 -.377850785974630E-06 0.000000000000000E+00
|
|
z1= 3 0.462101670709630E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000450)=0.000000000000000E+00
|
|
(calc=0.124501730117260E+02 read=0.124501730117260E+02)
|
|
Weight for this step=0.84185E-01 -.17243E+01
|
|
beta (00000451)=0.124501730117260E+02
|
|
gamma(00000451)=0.124501730117260E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 451
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000451)=0.000000000000000E+00
|
|
(calc=0.137434202664513E+02 read=0.137434202664513E+02)
|
|
Weight for this step=-.36624E-01 0.71841E+00
|
|
beta (00000452)=0.137434202664513E+02
|
|
gamma(00000452)=0.137434202664513E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 452
|
|
z1= 1 0.166197233217834E-05 0.000000000000000E+00
|
|
z1= 2 0.375300470796406E-06 0.000000000000000E+00
|
|
z1= 3 -.621547591021523E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000452)=0.000000000000000E+00
|
|
(calc=0.123492923787822E+02 read=0.123492923787822E+02)
|
|
Weight for this step=-.78060E-01 0.15963E+01
|
|
beta (00000453)=0.123492923787822E+02
|
|
gamma(00000453)=0.123492923787822E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 453
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000453)=0.000000000000000E+00
|
|
(calc=0.136342946054680E+02 read=0.136342946054680E+02)
|
|
Weight for this step=0.36491E-01 -.71490E+00
|
|
beta (00000454)=0.136342946054680E+02
|
|
gamma(00000454)=0.136342946054680E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 454
|
|
z1= 1 -.159864766387127E-05 0.000000000000000E+00
|
|
z1= 2 -.313741836252632E-06 0.000000000000000E+00
|
|
z1= 3 0.740762086410401E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000454)=0.000000000000000E+00
|
|
(calc=0.124948952471787E+02 read=0.124948952471787E+02)
|
|
Weight for this step=0.72507E-01 -.14802E+01
|
|
beta (00000455)=0.124948952471787E+02
|
|
gamma(00000455)=0.124948952471787E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 455
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000455)=0.000000000000000E+00
|
|
(calc=0.136130030454256E+02 read=0.136130030454256E+02)
|
|
Weight for this step=-.35902E-01 0.70255E+00
|
|
beta (00000456)=0.136130030454256E+02
|
|
gamma(00000456)=0.136130030454256E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 456
|
|
z1= 1 0.155587790998547E-05 0.000000000000000E+00
|
|
z1= 2 0.305237187649219E-06 0.000000000000000E+00
|
|
z1= 3 -.936690019165656E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000456)=0.000000000000000E+00
|
|
(calc=0.127298041810865E+02 read=0.127298041810865E+02)
|
|
Weight for this step=-.68330E-01 0.13924E+01
|
|
beta (00000457)=0.127298041810865E+02
|
|
gamma(00000457)=0.127298041810865E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 457
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000457)=0.000000000000000E+00
|
|
(calc=0.134663452736753E+02 read=0.134663452736753E+02)
|
|
Weight for this step=0.34770E-01 -.67970E+00
|
|
beta (00000458)=0.134663452736753E+02
|
|
gamma(00000458)=0.134663452736753E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 458
|
|
z1= 1 -.157647312997784E-05 0.000000000000000E+00
|
|
z1= 2 -.225506728555565E-06 0.000000000000000E+00
|
|
z1= 3 0.110717239958834E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000458)=0.000000000000000E+00
|
|
(calc=0.129360974683917E+02 read=0.129360974683917E+02)
|
|
Weight for this step=0.66333E-01 -.13492E+01
|
|
beta (00000459)=0.129360974683917E+02
|
|
gamma(00000459)=0.129360974683917E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 459
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000459)=0.000000000000000E+00
|
|
(calc=0.134362650812136E+02 read=0.134362650812136E+02)
|
|
Weight for this step=-.32734E-01 0.63929E+00
|
|
beta (00000460)=0.134362650812136E+02
|
|
gamma(00000460)=0.134362650812136E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 460
|
|
z1= 1 0.160263641219867E-05 0.000000000000000E+00
|
|
z1= 2 0.222458834174891E-06 0.000000000000000E+00
|
|
z1= 3 -.121671490165785E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000460)=0.000000000000000E+00
|
|
(calc=0.127149981396893E+02 read=0.127149981396893E+02)
|
|
Weight for this step=-.65506E-01 0.13302E+01
|
|
beta (00000461)=0.127149981396893E+02
|
|
gamma(00000461)=0.127149981396893E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 461
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000461)=0.000000000000000E+00
|
|
(calc=0.133073050017409E+02 read=0.133073050017409E+02)
|
|
Weight for this step=0.31114E-01 -.60708E+00
|
|
beta (00000462)=0.133073050017409E+02
|
|
gamma(00000462)=0.133073050017409E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 462
|
|
z1= 1 -.163684490456153E-05 0.000000000000000E+00
|
|
z1= 2 -.116212889931754E-06 0.000000000000000E+00
|
|
z1= 3 0.123513012779260E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000462)=0.000000000000000E+00
|
|
(calc=0.130288464339842E+02 read=0.130288464339842E+02)
|
|
Weight for this step=0.64167E-01 -.13008E+01
|
|
beta (00000463)=0.130288464339842E+02
|
|
gamma(00000463)=0.130288464339842E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 463
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000463)=0.000000000000000E+00
|
|
(calc=0.134211024300303E+02 read=0.134211024300303E+02)
|
|
Weight for this step=-.28455E-01 0.55471E+00
|
|
beta (00000464)=0.134211024300303E+02
|
|
gamma(00000464)=0.134211024300303E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 464
|
|
z1= 1 0.169540029383111E-05 0.000000000000000E+00
|
|
z1= 2 0.963341908549417E-07 0.000000000000000E+00
|
|
z1= 3 -.114486027074273E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000464)=0.000000000000000E+00
|
|
(calc=0.126554501553061E+02 read=0.126554501553061E+02)
|
|
Weight for this step=-.63720E-01 0.12899E+01
|
|
beta (00000465)=0.126554501553061E+02
|
|
gamma(00000465)=0.126554501553061E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 465
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000465)=0.000000000000000E+00
|
|
(calc=0.134457786287963E+02 read=0.134457786287963E+02)
|
|
Weight for this step=0.26778E-01 -.52155E+00
|
|
beta (00000466)=0.134457786287963E+02
|
|
gamma(00000466)=0.134457786287963E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 466
|
|
z1= 1 -.170621634420430E-05 0.000000000000000E+00
|
|
z1= 2 0.102729812391164E-07 0.000000000000000E+00
|
|
z1= 3 0.100054173108437E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000466)=0.000000000000000E+00
|
|
(calc=0.128140988756160E+02 read=0.128140988756160E+02)
|
|
Weight for this step=0.61317E-01 -.12394E+01
|
|
beta (00000467)=0.128140988756160E+02
|
|
gamma(00000467)=0.128140988756160E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 467
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000467)=0.000000000000000E+00
|
|
(calc=0.136873258289409E+02 read=0.136873258289409E+02)
|
|
Weight for this step=-.24869E-01 0.48395E+00
|
|
beta (00000468)=0.136873258289409E+02
|
|
gamma(00000468)=0.136873258289409E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 468
|
|
z1= 1 0.169618807525545E-05 0.000000000000000E+00
|
|
z1= 2 -.431385434405268E-08 0.000000000000000E+00
|
|
z1= 3 -.837464911866845E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000468)=0.000000000000000E+00
|
|
(calc=0.126931687259611E+02 read=0.126931687259611E+02)
|
|
Weight for this step=-.58630E-01 0.11835E+01
|
|
beta (00000469)=0.126931687259611E+02
|
|
gamma(00000469)=0.126931687259611E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 469
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000469)=0.000000000000000E+00
|
|
(calc=0.136810377833230E+02 read=0.136810377833230E+02)
|
|
Weight for this step=0.23700E-01 -.46083E+00
|
|
beta (00000470)=0.136810377833230E+02
|
|
gamma(00000470)=0.136810377833230E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 470
|
|
z1= 1 -.168191801045716E-05 0.000000000000000E+00
|
|
z1= 2 0.106841020811738E-06 0.000000000000000E+00
|
|
z1= 3 0.602729214429290E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000470)=0.000000000000000E+00
|
|
(calc=0.127563616568712E+02 read=0.127563616568712E+02)
|
|
Weight for this step=0.55564E-01 -.11201E+01
|
|
beta (00000471)=0.127563616568712E+02
|
|
gamma(00000471)=0.127563616568712E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 471
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000471)=0.000000000000000E+00
|
|
(calc=0.133838613102552E+02 read=0.133838613102552E+02)
|
|
Weight for this step=-.22479E-01 0.43676E+00
|
|
beta (00000472)=0.133838613102552E+02
|
|
gamma(00000472)=0.133838613102552E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 472
|
|
z1= 1 0.170653570927986E-05 0.000000000000000E+00
|
|
z1= 2 -.116824585449276E-06 0.000000000000000E+00
|
|
z1= 3 -.376437853446920E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000472)=0.000000000000000E+00
|
|
(calc=0.126367610178153E+02 read=0.126367610178153E+02)
|
|
Weight for this step=-.54091E-01 0.10889E+01
|
|
beta (00000473)=0.126367610178153E+02
|
|
gamma(00000473)=0.126367610178153E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 473
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000473)=0.000000000000000E+00
|
|
(calc=0.134964324776565E+02 read=0.134964324776565E+02)
|
|
Weight for this step=0.20920E-01 -.40618E+00
|
|
beta (00000474)=0.134964324776565E+02
|
|
gamma(00000474)=0.134964324776565E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 474
|
|
z1= 1 -.170035166481119E-05 0.000000000000000E+00
|
|
z1= 2 0.192608232536372E-06 0.000000000000000E+00
|
|
z1= 3 0.138260351664357E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000474)=0.000000000000000E+00
|
|
(calc=0.127392766365606E+02 read=0.127392766365606E+02)
|
|
Weight for this step=0.51691E-01 -.10393E+01
|
|
beta (00000475)=0.127392766365606E+02
|
|
gamma(00000475)=0.127392766365606E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 475
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000475)=0.000000000000000E+00
|
|
(calc=0.133043317721145E+02 read=0.133043317721145E+02)
|
|
Weight for this step=-.19426E-01 0.37692E+00
|
|
beta (00000476)=0.133043317721145E+02
|
|
gamma(00000476)=0.133043317721145E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 476
|
|
z1= 1 0.173694136534083E-05 0.000000000000000E+00
|
|
z1= 2 -.185314599095675E-06 0.000000000000000E+00
|
|
z1= 3 -.337873353447845E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000476)=0.000000000000000E+00
|
|
(calc=0.126415261663525E+02 read=0.126415261663525E+02)
|
|
Weight for this step=-.50479E-01 0.10137E+01
|
|
beta (00000477)=0.126415261663525E+02
|
|
gamma(00000477)=0.126415261663525E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 477
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000477)=0.000000000000000E+00
|
|
(calc=0.133306251775365E+02 read=0.133306251775365E+02)
|
|
Weight for this step=0.17750E-01 -.34420E+00
|
|
beta (00000478)=0.133306251775365E+02
|
|
gamma(00000478)=0.133306251775365E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 478
|
|
z1= 1 -.176240194921327E-05 0.000000000000000E+00
|
|
z1= 2 0.234582904364098E-06 0.000000000000000E+00
|
|
z1= 3 -.894890375254557E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000478)=0.000000000000000E+00
|
|
(calc=0.126280449578772E+02 read=0.126280449578772E+02)
|
|
Weight for this step=0.48767E-01 -.97818E+00
|
|
beta (00000479)=0.126280449578772E+02
|
|
gamma(00000479)=0.126280449578772E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 479
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000479)=0.000000000000000E+00
|
|
(calc=0.133935339587214E+02 read=0.133935339587214E+02)
|
|
Weight for this step=-.16132E-01 0.31264E+00
|
|
beta (00000480)=0.133935339587214E+02
|
|
gamma(00000480)=0.133935339587214E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 480
|
|
z1= 1 0.178966230798654E-05 0.000000000000000E+00
|
|
z1= 2 -.259719269926021E-06 0.000000000000000E+00
|
|
z1= 3 0.171353638887217E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000480)=0.000000000000000E+00
|
|
(calc=0.126439244074454E+02 read=0.126439244074454E+02)
|
|
Weight for this step=-.46792E-01 0.93755E+00
|
|
beta (00000481)=0.126439244074454E+02
|
|
gamma(00000481)=0.126439244074454E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 481
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000481)=0.000000000000000E+00
|
|
(calc=0.134762750745675E+02 read=0.134762750745675E+02)
|
|
Weight for this step=0.14592E-01 -.28264E+00
|
|
beta (00000482)=0.134762750745675E+02
|
|
gamma(00000482)=0.134762750745675E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 482
|
|
z1= 1 -.182174448691731E-05 0.000000000000000E+00
|
|
z1= 2 0.286513547364739E-06 0.000000000000000E+00
|
|
z1= 3 -.275199578778312E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000482)=0.000000000000000E+00
|
|
(calc=0.127040144432327E+02 read=0.127040144432327E+02)
|
|
Weight for this step=0.44632E-01 -.89337E+00
|
|
beta (00000483)=0.127040144432327E+02
|
|
gamma(00000483)=0.127040144432327E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 483
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000483)=0.000000000000000E+00
|
|
(calc=0.136555001935686E+02 read=0.136555001935686E+02)
|
|
Weight for this step=-.13109E-01 0.25380E+00
|
|
beta (00000484)=0.136555001935686E+02
|
|
gamma(00000484)=0.136555001935686E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 484
|
|
z1= 1 0.182997233333815E-05 0.000000000000000E+00
|
|
z1= 2 -.296439878380030E-06 0.000000000000000E+00
|
|
z1= 3 0.373812420015648E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000484)=0.000000000000000E+00
|
|
(calc=0.126719432145867E+02 read=0.126719432145867E+02)
|
|
Weight for this step=-.42169E-01 0.84329E+00
|
|
beta (00000485)=0.126719432145867E+02
|
|
gamma(00000485)=0.126719432145867E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 485
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000485)=0.000000000000000E+00
|
|
(calc=0.132368047448267E+02 read=0.132368047448267E+02)
|
|
Weight for this step=0.11882E-01 -.22994E+00
|
|
beta (00000486)=0.132368047448267E+02
|
|
gamma(00000486)=0.132368047448267E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 486
|
|
z1= 1 -.189899447369243E-05 0.000000000000000E+00
|
|
z1= 2 0.325793361430067E-06 0.000000000000000E+00
|
|
z1= 3 -.477744480752816E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000486)=0.000000000000000E+00
|
|
(calc=0.124437261861195E+02 read=0.124437261861195E+02)
|
|
Weight for this step=0.40974E-01 -.81867E+00
|
|
beta (00000487)=0.124437261861195E+02
|
|
gamma(00000487)=0.124437261861195E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 487
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000487)=0.000000000000000E+00
|
|
(calc=0.134512532092274E+02 read=0.134512532092274E+02)
|
|
Weight for this step=-.10418E-01 0.20153E+00
|
|
beta (00000488)=0.134512532092274E+02
|
|
gamma(00000488)=0.134512532092274E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 488
|
|
z1= 1 0.192142727328621E-05 0.000000000000000E+00
|
|
z1= 2 -.401840809781363E-06 0.000000000000000E+00
|
|
z1= 3 0.507452897499268E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000488)=0.000000000000000E+00
|
|
(calc=0.128384028478170E+02 read=0.128384028478170E+02)
|
|
Weight for this step=-.38427E-01 0.76716E+00
|
|
beta (00000489)=0.128384028478170E+02
|
|
gamma(00000489)=0.128384028478170E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 489
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000489)=0.000000000000000E+00
|
|
(calc=0.132658282283567E+02 read=0.132658282283567E+02)
|
|
Weight for this step=0.88960E-02 -.17204E+00
|
|
beta (00000490)=0.132658282283567E+02
|
|
gamma(00000490)=0.132658282283567E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 490
|
|
z1= 1 -.202337340542727E-05 0.000000000000000E+00
|
|
z1= 2 0.406467269782108E-06 0.000000000000000E+00
|
|
z1= 3 -.576794970680383E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000490)=0.000000000000000E+00
|
|
(calc=0.125999547977457E+02 read=0.125999547977457E+02)
|
|
Weight for this step=0.37641E-01 -.75093E+00
|
|
beta (00000491)=0.125999547977457E+02
|
|
gamma(00000491)=0.125999547977457E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 491
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000491)=0.000000000000000E+00
|
|
(calc=0.134509578383365E+02 read=0.134509578383365E+02)
|
|
Weight for this step=-.73510E-02 0.14212E+00
|
|
beta (00000492)=0.134509578383365E+02
|
|
gamma(00000492)=0.134509578383365E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 492
|
|
z1= 1 0.206698168493723E-05 0.000000000000000E+00
|
|
z1= 2 -.469258414710296E-06 0.000000000000000E+00
|
|
z1= 3 0.649007795192801E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000492)=0.000000000000000E+00
|
|
(calc=0.127242711727466E+02 read=0.127242711727466E+02)
|
|
Weight for this step=-.35628E-01 0.71033E+00
|
|
beta (00000493)=0.127242711727466E+02
|
|
gamma(00000493)=0.127242711727466E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 493
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000493)=0.000000000000000E+00
|
|
(calc=0.132863157154913E+02 read=0.132863157154913E+02)
|
|
Weight for this step=0.58821E-02 -.11369E+00
|
|
beta (00000494)=0.132863157154913E+02
|
|
gamma(00000494)=0.132863157154913E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 494
|
|
z1= 1 -.214886609022294E-05 0.000000000000000E+00
|
|
z1= 2 0.445621500224454E-06 0.000000000000000E+00
|
|
z1= 3 -.798422898724474E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000494)=0.000000000000000E+00
|
|
(calc=0.124537358460341E+02 read=0.124537358460341E+02)
|
|
Weight for this step=0.34419E-01 -.68589E+00
|
|
beta (00000495)=0.124537358460341E+02
|
|
gamma(00000495)=0.124537358460341E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 495
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000495)=0.000000000000000E+00
|
|
(calc=0.134982169354984E+02 read=0.134982169354984E+02)
|
|
Weight for this step=-.44111E-02 0.85247E-01
|
|
beta (00000496)=0.134982169354984E+02
|
|
gamma(00000496)=0.134982169354984E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 496
|
|
z1= 1 0.216983142513631E-05 0.000000000000000E+00
|
|
z1= 2 -.552501027290854E-06 0.000000000000000E+00
|
|
z1= 3 0.848444396267198E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000496)=0.000000000000000E+00
|
|
(calc=0.128385346915888E+02 read=0.128385346915888E+02)
|
|
Weight for this step=-.31976E-01 0.63695E+00
|
|
beta (00000497)=0.128385346915888E+02
|
|
gamma(00000497)=0.128385346915888E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 497
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000497)=0.000000000000000E+00
|
|
(calc=0.133352145988185E+02 read=0.133352145988185E+02)
|
|
Weight for this step=0.29578E-02 -.57153E-01
|
|
beta (00000498)=0.133352145988185E+02
|
|
gamma(00000498)=0.133352145988185E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 498
|
|
z1= 1 -.225933286496682E-05 0.000000000000000E+00
|
|
z1= 2 0.500109016789477E-06 0.000000000000000E+00
|
|
z1= 3 -.918959575886864E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
alpha(00000498)=0.000000000000000E+00
|
|
(calc=0.126817394774924E+02 read=0.126817394774924E+02)
|
|
Weight for this step=0.30935E-01 -.61603E+00
|
|
beta (00000499)=0.126817394774924E+02
|
|
gamma(00000499)=0.126817394774924E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Lanczos iteration: 499
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
alpha(00000499)=0.000000000000000E+00
|
|
(calc=0.134573525727283E+02 read=0.134573525727283E+02)
|
|
Weight for this step=-.14648E-02 0.28303E-01
|
|
beta (00000500)=0.134573525727283E+02
|
|
gamma(00000500)=0.134573525727283E+02
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
lr_apply_liouvillian: not applying interaction
|
|
|
|
Lanczos iteration: 500
|
|
z1= 1 0.231666516413919E-05 0.000000000000000E+00
|
|
z1= 2 -.662624369048015E-06 0.000000000000000E+00
|
|
z1= 3 0.105297229333066E-02 0.000000000000000E+00
|
|
alpha(00000500)=0.000000000000000E+00
|
|
(calc=0.127046759927261E+02 read=0.127046759927261E+02)
|
|
Weight for this step=-.29225E-01 0.58190E+00
|
|
beta (00000501)=0.127046759927261E+02
|
|
gamma(00000501)=0.127046759927261E+02
|
|
lr_apply_liouvillian: not applying interaction
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
|
|
Writing Cube file for response charge density
|
|
|
|
Writing Cube file for response charge density
|
|
End of Lanczos iterations
|
|
Finished linear response calculation...
|
|
|
|
lr_main : 648.30s CPU 691.20s WALL ( 1 calls)
|
|
lr_solve_e : 3.98s CPU 4.18s WALL ( 1 calls)
|
|
one_step : 638.58s CPU 678.17s WALL ( 1500 calls)
|
|
|
|
lr_apply : 578.85s CPU 613.63s WALL ( 3006 calls)
|
|
lr_apply_int : 444.66s CPU 470.71s WALL ( 1503 calls)
|
|
lr_apply_no : 134.18s CPU 142.92s WALL ( 1503 calls)
|
|
|
|
lr_apply : 578.85s CPU 613.63s WALL ( 3006 calls)
|
|
h_psi : 267.27s CPU 282.54s WALL ( 3006 calls)
|
|
lr_calc_dens : 129.20s CPU 137.41s WALL ( 2253 calls)
|
|
lr_ortho : 3.73s CPU 3.95s WALL ( 3000 calls)
|
|
interaction : 75.01s CPU 79.60s WALL ( 1503 calls)
|
|
lr_dot : 1.64s CPU 1.80s WALL ( 3753 calls)
|
|
|
|
US routines
|
|
lr_sm1_psi : 1.05s CPU 1.15s WALL ( 3006 calls)
|
|
|
|
General routines
|
|
calbec : 3.19s CPU 3.47s WALL ( 4605 calls)
|
|
fft : 107.12s CPU 114.48s WALL ( 3009 calls)
|
|
fftw : 377.32s CPU 399.70s WALL ( 19714 calls)
|
|
interpolate : 2.21s CPU 2.36s WALL ( 1503 calls)
|
|
davcio : 0.00s CPU 0.08s WALL ( 59 calls)
|
|
|
|
Parallel routines
|
|
fft_scatter : 155.94s CPU 166.97s WALL ( 22723 calls)
|
|
|
|
post-process : 4.84s CPU 7.19s WALL ( 12 calls)
|
|
|
|
TDDFPT : 10m48.31s CPU 11m31.23s WALL
|
|
|
|
|
|
This run was terminated on: 15: 4:55 13Jan2012
|
|
|
|
=------------------------------------------------------------------------------=
|
|
JOB DONE.
|
|
=------------------------------------------------------------------------------=
|