mirror of https://gitlab.com/QEF/q-e.git
17407 lines
765 KiB
Plaintext
17407 lines
765 KiB
Plaintext
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Program turboTDDFT v.6.3 starts on 5Sep2018 at 17:38:14
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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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"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
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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
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Parallel version (MPI), running on 8 processors
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MPI processes distributed on 1 nodes
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R & G space division: proc/nbgrp/npool/nimage = 8
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Prefix of current run is appended by -stage2
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Reading data from directory:
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/scratch/timrov/WORK_Hubbard/Z_git/work2_QE_fork/q-e/tempdir/CH4.save/
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation = PZ ( 1 1 0 0 0 0)
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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 894 894 222 56982 56982 7128
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Max 895 895 224 56986 56986 7136
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Sum 7153 7153 1789 455863 455863 57051
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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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Warning: There are virtual states in the input file, trying to disregard in response calculation
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=-----------------------------------------------------------------=
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Please cite the TDDFPT project as:
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O. B. Malcioglu, R. Gebauer, D. Rocca, and S. Baroni,
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Comput. Phys. Commun. 182, 1744 (2011)
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and
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X. Ge, S. J. Binnie, D. Rocca, R. Gebauer, and S. Baroni,
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Comput. Phys. Commun. 185, 2080 (2014)
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in publications and presentations arising from this work.
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=-----------------------------------------------------------------=
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Normal read
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Gamma point algorithm
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LANCZOS LINEAR-RESPONSE SPECTRUM CALCULATION
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Number of Lanczos iterations = 500
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Reading pre-calculated Lanczos coefficents from:
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/scratch/timrov/WORK_Hubbard/Z_git/work2_QE_fork/q-e/tempdir/CH4.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: 0.13460E+05 0.00000E+00
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Starting Lanczos loop 1
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Lanczos iteration: 1 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000001)= 0.000000
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beta (00000001)= 1.985919
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gamma(00000001)= 1.985919
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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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(calc= 0.198591876743144E+01 read= 0.268760451384072E+01)
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Weight for this step=-0.17124E+01 -0.13460E+02
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Lanczos iteration: 2 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000002)= 0.000000
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beta (00000002)= 2.687605
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gamma(00000002)= 2.687605
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z1= 1 0.738917782435728E+00 0.000000000000000E+00
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z1= 2 0.691805997089096E-07 0.000000000000000E+00
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z1= 3 0.455948258219025E-07 0.000000000000000E+00
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Calculating total response charge density
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(calc= 0.268760451384072E+01 read= 0.932137834574695E+01)
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Weight for this step=-0.78414E+00 -0.32790E+01
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Lanczos iteration: 3 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000003)= 0.000000
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beta (00000003)= 9.321378
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gamma(00000003)= 9.321378
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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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(calc= 0.932137834574695E+01 read= 0.144075800439966E+02)
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Weight for this step= 0.43900E+00 0.36505E+01
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Lanczos iteration: 4 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000004)= 0.000000
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beta (00000004)= 14.407580
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gamma(00000004)= 14.407580
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z1= 1 -0.478063088697101E+00 0.000000000000000E+00
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z1= 2 -0.471390726305629E-07 0.000000000000000E+00
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z1= 3 -0.317652835177224E-07 0.000000000000000E+00
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Calculating total response charge density
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(calc= 0.144075800439966E+02 read= 0.121613044363627E+02)
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Weight for this step= 0.52701E+00 0.22873E+01
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Lanczos iteration: 5 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000005)= 0.000000
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beta (00000005)= 12.161304
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gamma(00000005)= 12.161304
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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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(calc= 0.121613044363627E+02 read= 0.139780882466393E+02)
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Weight for this step=-0.49191E+00 -0.42017E+01
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Lanczos iteration: 6 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000006)= 0.000000
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beta (00000006)= 13.978088
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gamma(00000006)= 13.978088
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z1= 1 0.415927461527591E+00 0.000000000000000E+00
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z1= 2 0.438130063375175E-07 0.000000000000000E+00
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z1= 3 0.306701936998374E-07 0.000000000000000E+00
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Calculating total response charge density
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(calc= 0.139780882466393E+02 read= 0.124877587346769E+02)
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Weight for this step=-0.48125E+00 -0.21868E+01
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Lanczos iteration: 7 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000007)= 0.000000
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beta (00000007)= 12.487759
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gamma(00000007)= 12.487759
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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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(calc= 0.124877587346769E+02 read= 0.136527912210903E+02)
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Weight for this step= 0.52556E+00 0.45884E+01
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Lanczos iteration: 8 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000008)= 0.000000
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beta (00000008)= 13.652791
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gamma(00000008)= 13.652791
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z1= 1 -0.380435158391618E+00 0.000000000000000E+00
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z1= 2 -0.432884086597196E-07 0.000000000000000E+00
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z1= 3 -0.309541062537316E-07 0.000000000000000E+00
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Calculating total response charge density
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(calc= 0.136527912210903E+02 read= 0.126786745216414E+02)
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Weight for this step= 0.46504E+00 0.22203E+01
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Lanczos iteration: 9 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000009)= 0.000000
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beta (00000009)= 12.678675
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gamma(00000009)= 12.678675
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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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(calc= 0.126786745216414E+02 read= 0.135311066651416E+02)
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Weight for this step=-0.54211E+00 -0.48263E+01
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Lanczos iteration: 10 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000010)= 0.000000
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beta (00000010)= 13.531107
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gamma(00000010)= 13.531107
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z1= 1 0.356468518740034E+00 0.000000000000000E+00
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z1= 2 0.438562646780036E-07 0.000000000000000E+00
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z1= 3 0.312980098107578E-07 0.000000000000000E+00
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Calculating total response charge density
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(calc= 0.135311066651416E+02 read= 0.127668689941239E+02)
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Weight for this step=-0.46162E+00 -0.23139E+01
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Lanczos iteration: 11 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000011)= 0.000000
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beta (00000011)= 12.766869
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gamma(00000011)= 12.766869
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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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(calc= 0.127668689941239E+02 read= 0.135128696753397E+02)
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Weight for this step= 0.55107E+00 0.49965E+01
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Lanczos iteration: 12 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000012)= 0.000000
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beta (00000012)= 13.512870
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gamma(00000012)= 13.512870
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z1= 1 -0.336789075054040E+00 0.000000000000000E+00
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z1= 2 -0.446126371487360E-07 0.000000000000000E+00
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z1= 3 -0.313853427906085E-07 0.000000000000000E+00
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Calculating total response charge density
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(calc= 0.135128696753397E+02 read= 0.127836471646873E+02)
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Weight for this step= 0.46246E+00 0.24283E+01
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Lanczos iteration: 13 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000013)= 0.000000
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beta (00000013)= 12.783647
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gamma(00000013)= 12.783647
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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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(calc= 0.127836471646873E+02 read= 0.135185606601267E+02)
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Weight for this step=-0.55902E+00 -0.51572E+01
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Lanczos iteration: 14 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000014)= 0.000000
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beta (00000014)= 13.518561
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gamma(00000014)= 13.518561
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z1= 1 0.318480111356166E+00 0.000000000000000E+00
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z1= 2 0.450555083710696E-07 0.000000000000000E+00
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z1= 3 0.309797581419787E-07 0.000000000000000E+00
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Calculating total response charge density
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(calc= 0.135185606601267E+02 read= 0.127644812726169E+02)
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Weight for this step=-0.46401E+00 -0.25460E+01
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Lanczos iteration: 15 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000015)= 0.000000
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beta (00000015)= 12.764481
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gamma(00000015)= 12.764481
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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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(calc= 0.127644812726169E+02 read= 0.135014866999257E+02)
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Weight for this step= 0.56845E+00 0.53312E+01
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Lanczos iteration: 16 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000016)= 0.000000
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beta (00000016)= 13.501487
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gamma(00000016)= 13.501487
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z1= 1 -0.301095242876408E+00 0.000000000000000E+00
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z1= 2 -0.450883829977017E-07 0.000000000000000E+00
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z1= 3 -0.301774713590990E-07 0.000000000000000E+00
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Calculating total response charge density
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(calc= 0.135014866999257E+02 read= 0.127363098749425E+02)
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Weight for this step= 0.46584E+00 0.26656E+01
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Lanczos iteration: 17 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000017)= 0.000000
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beta (00000017)= 12.736310
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gamma(00000017)= 12.736310
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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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(calc= 0.127363098749425E+02 read= 0.134713736023025E+02)
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Weight for this step=-0.57886E+00 -0.55145E+01
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Lanczos iteration: 18 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000018)= 0.000000
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beta (00000018)= 13.471374
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gamma(00000018)= 13.471374
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z1= 1 0.284666020582308E+00 0.000000000000000E+00
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z1= 2 0.449323861225620E-07 0.000000000000000E+00
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z1= 3 0.290579294656094E-07 0.000000000000000E+00
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Calculating total response charge density
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(calc= 0.134713736023025E+02 read= 0.127317164459756E+02)
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Weight for this step=-0.46814E+00 -0.27881E+01
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Lanczos iteration: 19 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000019)= 0.000000
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beta (00000019)= 12.731716
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gamma(00000019)= 12.731716
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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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(calc= 0.127317164459756E+02 read= 0.134608169868689E+02)
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Weight for this step= 0.58864E+00 0.56915E+01
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Lanczos iteration: 20 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000020)= 0.000000
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beta (00000020)= 13.460817
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gamma(00000020)= 13.460817
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z1= 1 -0.269247183093992E+00 0.000000000000000E+00
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z1= 2 -0.445533898680434E-07 0.000000000000000E+00
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z1= 3 -0.276368272221050E-07 0.000000000000000E+00
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Calculating total response charge density
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(calc= 0.134608169868689E+02 read= 0.127588977678047E+02)
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Weight for this step= 0.47099E+00 0.29139E+01
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Lanczos iteration: 21 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000021)= 0.000000
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beta (00000021)= 12.758898
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gamma(00000021)= 12.758898
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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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(calc= 0.127588977678047E+02 read= 0.134658195040476E+02)
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Weight for this step=-0.59709E+00 -0.58550E+01
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Lanczos iteration: 22 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000022)= 0.000000
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beta (00000022)= 13.465820
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gamma(00000022)= 13.465820
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z1= 1 0.255112381562300E+00 0.000000000000000E+00
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z1= 2 0.440973093041030E-07 0.000000000000000E+00
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z1= 3 0.260085257585254E-07 0.000000000000000E+00
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Calculating total response charge density
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(calc= 0.134658195040476E+02 read= 0.127880141471863E+02)
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Weight for this step=-0.47485E+00 -0.30456E+01
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Lanczos iteration: 23 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000023)= 0.000000
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beta (00000023)= 12.788014
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gamma(00000023)= 12.788014
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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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(calc= 0.127880141471863E+02 read= 0.134679771519024E+02)
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Weight for this step= 0.60467E+00 0.60094E+01
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Lanczos iteration: 24 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000024)= 0.000000
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beta (00000024)= 13.467977
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gamma(00000024)= 13.467977
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z1= 1 -0.242232423454938E+00 0.000000000000000E+00
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z1= 2 -0.436314810531302E-07 0.000000000000000E+00
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z1= 3 -0.242054267435125E-07 0.000000000000000E+00
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Calculating total response charge density
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(calc= 0.134679771519024E+02 read= 0.128079115296225E+02)
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Weight for this step= 0.47982E+00 0.31840E+01
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Lanczos iteration: 25 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000025)= 0.000000
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beta (00000025)= 12.807912
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gamma(00000025)= 12.807912
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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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(calc= 0.128079115296225E+02 read= 0.134598486791017E+02)
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Weight for this step=-0.61156E+00 -0.61564E+01
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Lanczos iteration: 26 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000026)= 0.000000
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beta (00000026)= 13.459849
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gamma(00000026)= 13.459849
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z1= 1 0.230499727239426E+00 0.000000000000000E+00
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z1= 2 0.431474564879103E-07 0.000000000000000E+00
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z1= 3 0.221841778495064E-07 0.000000000000000E+00
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Calculating total response charge density
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(calc= 0.134598486791017E+02 read= 0.127912384142021E+02)
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Weight for this step=-0.48587E+00 -0.33292E+01
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Lanczos iteration: 27 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000027)= 0.000000
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beta (00000027)= 12.791238
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gamma(00000027)= 12.791238
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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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(calc= 0.127912384142021E+02 read= 0.134161148939233E+02)
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Weight for this step= 0.61892E+00 0.63077E+01
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Lanczos iteration: 28 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000028)= 0.000000
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beta (00000028)= 13.416115
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gamma(00000028)= 13.416115
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z1= 1 -0.219763842874026E+00 0.000000000000000E+00
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z1= 2 -0.427235148994787E-07 0.000000000000000E+00
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z1= 3 -0.199653940847967E-07 0.000000000000000E+00
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Calculating total response charge density
|
|
(calc= 0.134161148939233E+02 read= 0.127721373075179E+02)
|
|
Weight for this step= 0.49297E+00 0.34820E+01
|
|
|
|
Lanczos iteration: 29 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000029)= 0.000000
|
|
beta (00000029)= 12.772137
|
|
gamma(00000029)= 12.772137
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127721373075179E+02 read= 0.134346350363871E+02)
|
|
Weight for this step=-0.62513E+00 -0.64473E+01
|
|
|
|
Lanczos iteration: 30 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000030)= 0.000000
|
|
beta (00000030)= 13.434635
|
|
gamma(00000030)= 13.434635
|
|
z1= 1 0.208926700934757E+00 0.000000000000000E+00
|
|
z1= 2 0.422178565622280E-07 0.000000000000000E+00
|
|
z1= 3 0.175466018233433E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134346350363871E+02 read= 0.128089268529034E+02)
|
|
Weight for this step=-0.49864E+00 -0.36244E+01
|
|
|
|
Lanczos iteration: 31 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000031)= 0.000000
|
|
beta (00000031)= 12.808927
|
|
gamma(00000031)= 12.808927
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128089268529034E+02 read= 0.134186051888470E+02)
|
|
Weight for this step= 0.63047E+00 0.65770E+01
|
|
|
|
Lanczos iteration: 32 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000032)= 0.000000
|
|
beta (00000032)= 13.418605
|
|
gamma(00000032)= 13.418605
|
|
z1= 1 -0.199434053855016E+00 0.000000000000000E+00
|
|
z1= 2 -0.419910787573599E-07 0.000000000000000E+00
|
|
z1= 3 -0.151201419191106E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134186051888470E+02 read= 0.127406578144393E+02)
|
|
Weight for this step= 0.50625E+00 0.37807E+01
|
|
|
|
Lanczos iteration: 33 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000033)= 0.000000
|
|
beta (00000033)= 12.740658
|
|
gamma(00000033)= 12.740658
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127406578144393E+02 read= 0.133781590588927E+02)
|
|
Weight for this step=-0.63830E+00 -0.67327E+01
|
|
|
|
Lanczos iteration: 34 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000034)= 0.000000
|
|
beta (00000034)= 13.378159
|
|
gamma(00000034)= 13.378159
|
|
z1= 1 0.189930544668195E+00 0.000000000000000E+00
|
|
z1= 2 0.417586729908534E-07 0.000000000000000E+00
|
|
z1= 3 0.126452830790042E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133781590588927E+02 read= 0.127882790591668E+02)
|
|
Weight for this step=-0.51285E+00 -0.39300E+01
|
|
|
|
Lanczos iteration: 35 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000035)= 0.000000
|
|
beta (00000035)= 12.788279
|
|
gamma(00000035)= 12.788279
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127882790591668E+02 read= 0.134421017040110E+02)
|
|
Weight for this step= 0.64180E+00 0.68420E+01
|
|
|
|
Lanczos iteration: 36 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000036)= 0.000000
|
|
beta (00000036)= 13.442102
|
|
gamma(00000036)= 13.442102
|
|
z1= 1 -0.180692339677185E+00 0.000000000000000E+00
|
|
z1= 2 -0.415114493994284E-07 0.000000000000000E+00
|
|
z1= 3 -0.101916074719084E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134421017040110E+02 read= 0.127825828963403E+02)
|
|
Weight for this step= 0.51865E+00 0.40721E+01
|
|
|
|
Lanczos iteration: 37 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000037)= 0.000000
|
|
beta (00000037)= 12.782583
|
|
gamma(00000037)= 12.782583
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127825828963403E+02 read= 0.133871380121051E+02)
|
|
Weight for this step=-0.64868E+00 -0.69864E+01
|
|
|
|
Lanczos iteration: 38 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000038)= 0.000000
|
|
beta (00000038)= 13.387138
|
|
gamma(00000038)= 13.387138
|
|
z1= 1 0.172532382094572E+00 0.000000000000000E+00
|
|
z1= 2 0.414155403609048E-07 0.000000000000000E+00
|
|
z1= 3 0.782176341626801E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133871380121051E+02 read= 0.127373106140671E+02)
|
|
Weight for this step=-0.52643E+00 -0.42298E+01
|
|
|
|
Lanczos iteration: 39 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000039)= 0.000000
|
|
beta (00000039)= 12.737311
|
|
gamma(00000039)= 12.737311
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127373106140671E+02 read= 0.133334558075221E+02)
|
|
Weight for this step= 0.65505E+00 0.71255E+01
|
|
|
|
Lanczos iteration: 40 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000040)= 0.000000
|
|
beta (00000040)= 13.333456
|
|
gamma(00000040)= 13.333456
|
|
z1= 1 -0.164818376679489E+00 0.000000000000000E+00
|
|
z1= 2 -0.413193495408387E-07 0.000000000000000E+00
|
|
z1= 3 -0.555618045111140E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133334558075221E+02 read= 0.126896393403986E+02)
|
|
Weight for this step= 0.53451E+00 0.43906E+01
|
|
|
|
Lanczos iteration: 41 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000041)= 0.000000
|
|
beta (00000041)= 12.689639
|
|
gamma(00000041)= 12.689639
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126896393403986E+02 read= 0.133576096888235E+02)
|
|
Weight for this step=-0.66105E+00 -0.72604E+01
|
|
|
|
Lanczos iteration: 42 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000042)= 0.000000
|
|
beta (00000042)= 13.357610
|
|
gamma(00000042)= 13.357610
|
|
z1= 1 0.156576349021685E+00 0.000000000000000E+00
|
|
z1= 2 0.409669947730798E-07 0.000000000000000E+00
|
|
z1= 3 0.336825469664064E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133576096888235E+02 read= 0.127519613723519E+02)
|
|
Weight for this step=-0.53964E+00 -0.45269E+01
|
|
|
|
Lanczos iteration: 43 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000043)= 0.000000
|
|
beta (00000043)= 12.751961
|
|
gamma(00000043)= 12.751961
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127519613723519E+02 read= 0.133754395597085E+02)
|
|
Weight for this step= 0.66510E+00 0.73728E+01
|
|
|
|
Lanczos iteration: 44 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000044)= 0.000000
|
|
beta (00000044)= 13.375440
|
|
gamma(00000044)= 13.375440
|
|
z1= 1 -0.149277752378549E+00 0.000000000000000E+00
|
|
z1= 2 -0.407097180367064E-07 0.000000000000000E+00
|
|
z1= 3 -0.133939195146168E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133754395597085E+02 read= 0.127762557320725E+02)
|
|
Weight for this step= 0.54648E+00 0.46767E+01
|
|
|
|
Lanczos iteration: 45 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000045)= 0.000000
|
|
beta (00000045)= 12.776256
|
|
gamma(00000045)= 12.776256
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127762557320725E+02 read= 0.134084249360427E+02)
|
|
Weight for this step=-0.66866E+00 -0.74790E+01
|
|
|
|
Lanczos iteration: 46 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000046)= 0.000000
|
|
beta (00000046)= 13.408425
|
|
gamma(00000046)= 13.408425
|
|
z1= 1 0.142239729766517E+00 0.000000000000000E+00
|
|
z1= 2 0.403947109355735E-07 0.000000000000000E+00
|
|
z1= 3 -0.615588124095248E-09 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134084249360427E+02 read= 0.127357556926648E+02)
|
|
Weight for this step=-0.55280E+00 -0.48214E+01
|
|
|
|
Lanczos iteration: 47 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000047)= 0.000000
|
|
beta (00000047)= 12.735756
|
|
gamma(00000047)= 12.735756
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127357556926648E+02 read= 0.134095537387868E+02)
|
|
Weight for this step= 0.67595E+00 0.76261E+01
|
|
|
|
Lanczos iteration: 48 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000048)= 0.000000
|
|
beta (00000048)= 13.409554
|
|
gamma(00000048)= 13.409554
|
|
z1= 1 -0.135092523090998E+00 0.000000000000000E+00
|
|
z1= 2 -0.399691072999059E-07 0.000000000000000E+00
|
|
z1= 3 0.257370859265424E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134095537387868E+02 read= 0.128520046290337E+02)
|
|
Weight for this step= 0.55745E+00 0.49515E+01
|
|
|
|
Lanczos iteration: 49 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000049)= 0.000000
|
|
beta (00000049)= 12.852005
|
|
gamma(00000049)= 12.852005
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128520046290337E+02 read= 0.133720376650223E+02)
|
|
Weight for this step=-0.67726E+00 -0.77047E+01
|
|
|
|
Lanczos iteration: 50 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000050)= 0.000000
|
|
beta (00000050)= 13.372038
|
|
gamma(00000050)= 13.372038
|
|
z1= 1 0.129838830521305E+00 0.000000000000000E+00
|
|
z1= 2 0.399638577213562E-07 0.000000000000000E+00
|
|
z1= 3 -0.452411885021710E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133720376650223E+02 read= 0.126611466111105E+02)
|
|
Weight for this step=-0.56835E+00 -0.51361E+01
|
|
|
|
Lanczos iteration: 51 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000051)= 0.000000
|
|
beta (00000051)= 12.661147
|
|
gamma(00000051)= 12.661147
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126611466111105E+02 read= 0.133321217733352E+02)
|
|
Weight for this step= 0.68631E+00 0.78717E+01
|
|
|
|
Lanczos iteration: 52 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000052)= 0.000000
|
|
beta (00000052)= 13.332122
|
|
gamma(00000052)= 13.332122
|
|
z1= 1 -0.123304339473800E+00 0.000000000000000E+00
|
|
z1= 2 -0.394900136315227E-07 0.000000000000000E+00
|
|
z1= 3 0.644401938092783E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133321217733352E+02 read= 0.127228199848899E+02)
|
|
Weight for this step= 0.57286E+00 0.52642E+01
|
|
|
|
Lanczos iteration: 53 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000053)= 0.000000
|
|
beta (00000053)= 12.722820
|
|
gamma(00000053)= 12.722820
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127228199848899E+02 read= 0.133311331408987E+02)
|
|
Weight for this step=-0.69012E+00 -0.79778E+01
|
|
|
|
Lanczos iteration: 54 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000054)= 0.000000
|
|
beta (00000054)= 13.331133
|
|
gamma(00000054)= 13.331133
|
|
z1= 1 0.117677837127592E+00 0.000000000000000E+00
|
|
z1= 2 0.393013363300925E-07 0.000000000000000E+00
|
|
z1= 3 -0.836756437343255E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133311331408987E+02 read= 0.127582794927706E+02)
|
|
Weight for this step=-0.58000E+00 -0.54158E+01
|
|
|
|
Lanczos iteration: 55 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000055)= 0.000000
|
|
beta (00000055)= 12.758279
|
|
gamma(00000055)= 12.758279
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127582794927706E+02 read= 0.134060406825906E+02)
|
|
Weight for this step= 0.69177E+00 0.80581E+01
|
|
|
|
Lanczos iteration: 56 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000056)= 0.000000
|
|
beta (00000056)= 13.406041
|
|
gamma(00000056)= 13.406041
|
|
z1= 1 -0.111991808150206E+00 0.000000000000000E+00
|
|
z1= 2 -0.390926561642801E-07 0.000000000000000E+00
|
|
z1= 3 0.102091577762714E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134060406825906E+02 read= 0.128473550401433E+02)
|
|
Weight for this step= 0.58516E+00 0.55476E+01
|
|
|
|
Lanczos iteration: 57 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000057)= 0.000000
|
|
beta (00000057)= 12.847355
|
|
gamma(00000057)= 12.847355
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128473550401433E+02 read= 0.134039093986092E+02)
|
|
Weight for this step=-0.69247E+00 -0.81258E+01
|
|
|
|
Lanczos iteration: 58 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000058)= 0.000000
|
|
beta (00000058)= 13.403909
|
|
gamma(00000058)= 13.403909
|
|
z1= 1 0.107341707415794E+00 0.000000000000000E+00
|
|
z1= 2 0.392492809024158E-07 0.000000000000000E+00
|
|
z1= 3 -0.120745553304686E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134039093986092E+02 read= 0.127085127892396E+02)
|
|
Weight for this step=-0.59407E+00 -0.57142E+01
|
|
|
|
Lanczos iteration: 59 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000059)= 0.000000
|
|
beta (00000059)= 12.708513
|
|
gamma(00000059)= 12.708513
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127085127892396E+02 read= 0.134059905412528E+02)
|
|
Weight for this step= 0.70021E+00 0.82761E+01
|
|
|
|
Lanczos iteration: 60 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000060)= 0.000000
|
|
beta (00000060)= 13.405991
|
|
gamma(00000060)= 13.405991
|
|
z1= 1 -0.101757006117129E+00 0.000000000000000E+00
|
|
z1= 2 -0.390689483703056E-07 0.000000000000000E+00
|
|
z1= 3 0.137759432130994E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134059905412528E+02 read= 0.128114181632704E+02)
|
|
Weight for this step= 0.59674E+00 0.58210E+01
|
|
|
|
Lanczos iteration: 61 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000061)= 0.000000
|
|
beta (00000061)= 12.811418
|
|
gamma(00000061)= 12.811418
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128114181632704E+02 read= 0.133962331208258E+02)
|
|
Weight for this step=-0.70267E+00 -0.83627E+01
|
|
|
|
Lanczos iteration: 62 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000062)= 0.000000
|
|
beta (00000062)= 13.396233
|
|
gamma(00000062)= 13.396233
|
|
z1= 1 0.973147857797687E-01 0.000000000000000E+00
|
|
z1= 2 0.392738356549613E-07 0.000000000000000E+00
|
|
z1= 3 -0.155035797930105E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133962331208258E+02 read= 0.128679178850957E+02)
|
|
Weight for this step=-0.60440E+00 -0.59756E+01
|
|
|
|
Lanczos iteration: 63 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000063)= 0.000000
|
|
beta (00000063)= 12.867918
|
|
gamma(00000063)= 12.867918
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128679178850957E+02 read= 0.134205609090490E+02)
|
|
Weight for this step= 0.70124E+00 0.84020E+01
|
|
|
|
Lanczos iteration: 64 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000064)= 0.000000
|
|
beta (00000064)= 13.420561
|
|
gamma(00000064)= 13.420561
|
|
z1= 1 -0.933074765582564E-01 0.000000000000000E+00
|
|
z1= 2 -0.396166023198391E-07 0.000000000000000E+00
|
|
z1= 3 0.171764759261000E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134205609090490E+02 read= 0.128519350980122E+02)
|
|
Weight for this step= 0.61309E+00 0.61394E+01
|
|
|
|
Lanczos iteration: 65 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000065)= 0.000000
|
|
beta (00000065)= 12.851935
|
|
gamma(00000065)= 12.851935
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128519350980122E+02 read= 0.134895279751256E+02)
|
|
Weight for this step=-0.70151E+00 -0.84610E+01
|
|
|
|
Lanczos iteration: 66 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000066)= 0.000000
|
|
beta (00000066)= 13.489528
|
|
gamma(00000066)= 13.489528
|
|
z1= 1 0.888972271748327E-01 0.000000000000000E+00
|
|
z1= 2 0.397428552903738E-07 0.000000000000000E+00
|
|
z1= 3 -0.186445134233294E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134895279751256E+02 read= 0.128072353962280E+02)
|
|
Weight for this step=-0.61752E+00 -0.62599E+01
|
|
|
|
Lanczos iteration: 67 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000067)= 0.000000
|
|
beta (00000067)= 12.807235
|
|
gamma(00000067)= 12.807235
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128072353962280E+02 read= 0.134057741112690E+02)
|
|
Weight for this step= 0.70781E+00 0.85917E+01
|
|
|
|
Lanczos iteration: 68 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000068)= 0.000000
|
|
beta (00000068)= 13.405774
|
|
gamma(00000068)= 13.405774
|
|
z1= 1 -0.849281589448075E-01 0.000000000000000E+00
|
|
z1= 2 -0.400756428537222E-07 0.000000000000000E+00
|
|
z1= 3 0.200791497920161E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134057741112690E+02 read= 0.127834363085530E+02)
|
|
Weight for this step= 0.62387E+00 0.63999E+01
|
|
|
|
Lanczos iteration: 69 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000069)= 0.000000
|
|
beta (00000069)= 12.783436
|
|
gamma(00000069)= 12.783436
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127834363085530E+02 read= 0.133624837931923E+02)
|
|
Weight for this step=-0.71083E+00 -0.86823E+01
|
|
|
|
Lanczos iteration: 70 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000070)= 0.000000
|
|
beta (00000070)= 13.362484
|
|
gamma(00000070)= 13.362484
|
|
z1= 1 0.812478972828931E-01 0.000000000000000E+00
|
|
z1= 2 0.405146250205286E-07 0.000000000000000E+00
|
|
z1= 3 -0.213621027132164E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133624837931923E+02 read= 0.128141998238980E+02)
|
|
Weight for this step=-0.63101E+00 -0.65480E+01
|
|
|
|
Lanczos iteration: 71 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000071)= 0.000000
|
|
beta (00000071)= 12.814200
|
|
gamma(00000071)= 12.814200
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128141998238980E+02 read= 0.134336350021570E+02)
|
|
Weight for this step= 0.70952E+00 0.87192E+01
|
|
|
|
Lanczos iteration: 72 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000072)= 0.000000
|
|
beta (00000072)= 13.433635
|
|
gamma(00000072)= 13.433635
|
|
z1= 1 -0.775014946354700E-01 0.000000000000000E+00
|
|
z1= 2 -0.407556912996633E-07 0.000000000000000E+00
|
|
z1= 3 0.224124007288220E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134336350021570E+02 read= 0.128171552779025E+02)
|
|
Weight for this step= 0.63584E+00 0.66710E+01
|
|
|
|
Lanczos iteration: 73 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000073)= 0.000000
|
|
beta (00000073)= 12.817155
|
|
gamma(00000073)= 12.817155
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128171552779025E+02 read= 0.132766242773250E+02)
|
|
Weight for this step=-0.71169E+00 -0.87978E+01
|
|
|
|
Lanczos iteration: 74 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000074)= 0.000000
|
|
beta (00000074)= 13.276624
|
|
gamma(00000074)= 13.276624
|
|
z1= 1 0.748193720228175E-01 0.000000000000000E+00
|
|
z1= 2 0.414290927575230E-07 0.000000000000000E+00
|
|
z1= 3 -0.236746308072012E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132766242773250E+02 read= 0.127707370759047E+02)
|
|
Weight for this step=-0.64826E+00 -0.68739E+01
|
|
|
|
Lanczos iteration: 75 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000075)= 0.000000
|
|
beta (00000075)= 12.770737
|
|
gamma(00000075)= 12.770737
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127707370759047E+02 read= 0.133758743800971E+02)
|
|
Weight for this step= 0.70719E+00 0.87939E+01
|
|
|
|
Lanczos iteration: 76 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000076)= 0.000000
|
|
beta (00000076)= 13.375874
|
|
gamma(00000076)= 13.375874
|
|
z1= 1 -0.714344723294842E-01 0.000000000000000E+00
|
|
z1= 2 -0.415994711757111E-07 0.000000000000000E+00
|
|
z1= 3 0.246187852921014E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133758743800971E+02 read= 0.127589885827065E+02)
|
|
Weight for this step= 0.65288E+00 0.69934E+01
|
|
|
|
Lanczos iteration: 77 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000077)= 0.000000
|
|
beta (00000077)= 12.758989
|
|
gamma(00000077)= 12.758989
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127589885827065E+02 read= 0.134163875488024E+02)
|
|
Weight for this step=-0.70844E+00 -0.88603E+01
|
|
|
|
Lanczos iteration: 78 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000078)= 0.000000
|
|
beta (00000078)= 13.416388
|
|
gamma(00000078)= 13.416388
|
|
z1= 1 0.679342046097131E-01 0.000000000000000E+00
|
|
z1= 2 0.416124347284684E-07 0.000000000000000E+00
|
|
z1= 3 -0.254251665004904E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134163875488024E+02 read= 0.127770698211392E+02)
|
|
Weight for this step=-0.65480E+00 -0.70831E+01
|
|
|
|
Lanczos iteration: 79 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000079)= 0.000000
|
|
beta (00000079)= 12.777070
|
|
gamma(00000079)= 12.777070
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127770698211392E+02 read= 0.133427368355261E+02)
|
|
Weight for this step= 0.71089E+00 0.89407E+01
|
|
|
|
Lanczos iteration: 80 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000080)= 0.000000
|
|
beta (00000080)= 13.342737
|
|
gamma(00000080)= 13.342737
|
|
z1= 1 -0.650541254198122E-01 0.000000000000000E+00
|
|
z1= 2 -0.419494805674065E-07 0.000000000000000E+00
|
|
z1= 3 0.263466632845341E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133427368355261E+02 read= 0.128095555443751E+02)
|
|
Weight for this step= 0.66124E+00 0.72215E+01
|
|
|
|
Lanczos iteration: 81 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000081)= 0.000000
|
|
beta (00000081)= 12.809556
|
|
gamma(00000081)= 12.809556
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128095555443751E+02 read= 0.134134797756752E+02)
|
|
Weight for this step=-0.70725E+00 -0.89437E+01
|
|
|
|
Lanczos iteration: 82 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000082)= 0.000000
|
|
beta (00000082)= 13.413480
|
|
gamma(00000082)= 13.413480
|
|
z1= 1 0.621251492447926E-01 0.000000000000000E+00
|
|
z1= 2 0.421421653038455E-07 0.000000000000000E+00
|
|
z1= 3 -0.271191659438142E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134134797756752E+02 read= 0.128171382941199E+02)
|
|
Weight for this step=-0.66532E+00 -0.73328E+01
|
|
|
|
Lanczos iteration: 83 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000083)= 0.000000
|
|
beta (00000083)= 12.817138
|
|
gamma(00000083)= 12.817138
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128171382941199E+02 read= 0.133748244546725E+02)
|
|
Weight for this step= 0.70675E+00 0.89853E+01
|
|
|
|
Lanczos iteration: 84 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000084)= 0.000000
|
|
beta (00000084)= 13.374824
|
|
gamma(00000084)= 13.374824
|
|
z1= 1 -0.595347349875066E-01 0.000000000000000E+00
|
|
z1= 2 -0.425121470890716E-07 0.000000000000000E+00
|
|
z1= 3 0.279547802471518E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133748244546725E+02 read= 0.127869927297520E+02)
|
|
Weight for this step= 0.67150E+00 0.74669E+01
|
|
|
|
Lanczos iteration: 85 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000085)= 0.000000
|
|
beta (00000085)= 12.786993
|
|
gamma(00000085)= 12.786993
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127869927297520E+02 read= 0.133112733718445E+02)
|
|
Weight for this step=-0.70545E+00 -0.90161E+01
|
|
|
|
Lanczos iteration: 86 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000086)= 0.000000
|
|
beta (00000086)= 13.311273
|
|
gamma(00000086)= 13.311273
|
|
z1= 1 0.571898872622637E-01 0.000000000000000E+00
|
|
z1= 2 0.430465198362952E-07 0.000000000000000E+00
|
|
z1= 3 -0.288526110824646E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133112733718445E+02 read= 0.127546610533595E+02)
|
|
Weight for this step=-0.67906E+00 -0.76162E+01
|
|
|
|
Lanczos iteration: 87 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000087)= 0.000000
|
|
beta (00000087)= 12.754661
|
|
gamma(00000087)= 12.754661
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127546610533595E+02 read= 0.134074230676269E+02)
|
|
Weight for this step= 0.70198E+00 0.90186E+01
|
|
|
|
Lanczos iteration: 88 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000088)= 0.000000
|
|
beta (00000088)= 13.407423
|
|
gamma(00000088)= 13.407423
|
|
z1= 1 -0.544055053704759E-01 0.000000000000000E+00
|
|
z1= 2 -0.431702432729560E-07 0.000000000000000E+00
|
|
z1= 3 0.294335280735705E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134074230676269E+02 read= 0.128996226626789E+02)
|
|
Weight for this step= 0.67960E+00 0.76858E+01
|
|
|
|
Lanczos iteration: 89 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000089)= 0.000000
|
|
beta (00000089)= 12.899623
|
|
gamma(00000089)= 12.899623
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128996226626789E+02 read= 0.132846944369017E+02)
|
|
Weight for this step=-0.69572E+00 -0.89835E+01
|
|
|
|
Lanczos iteration: 90 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000090)= 0.000000
|
|
beta (00000090)= 13.284694
|
|
gamma(00000090)= 13.284694
|
|
z1= 1 0.528285007521159E-01 0.000000000000000E+00
|
|
z1= 2 0.441749566171615E-07 0.000000000000000E+00
|
|
z1= 3 -0.305213831207980E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132846944369017E+02 read= 0.127068686498748E+02)
|
|
Weight for this step=-0.69351E+00 -0.79057E+01
|
|
|
|
Lanczos iteration: 91 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000091)= 0.000000
|
|
beta (00000091)= 12.706869
|
|
gamma(00000091)= 12.706869
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127068686498748E+02 read= 0.133719635897554E+02)
|
|
Weight for this step= 0.69226E+00 0.89847E+01
|
|
|
|
Lanczos iteration: 92 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000092)= 0.000000
|
|
beta (00000092)= 13.371964
|
|
gamma(00000092)= 13.371964
|
|
z1= 1 -0.502009159328880E-01 0.000000000000000E+00
|
|
z1= 2 -0.442425628749930E-07 0.000000000000000E+00
|
|
z1= 3 0.309491095443594E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133719635897554E+02 read= 0.127717142543305E+02)
|
|
Weight for this step= 0.69223E+00 0.79524E+01
|
|
|
|
Lanczos iteration: 93 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000093)= 0.000000
|
|
beta (00000093)= 12.771714
|
|
gamma(00000093)= 12.771714
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127717142543305E+02 read= 0.133508952035729E+02)
|
|
Weight for this step=-0.68993E+00 -0.89993E+01
|
|
|
|
Lanczos iteration: 94 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000094)= 0.000000
|
|
beta (00000094)= 13.350895
|
|
gamma(00000094)= 13.350895
|
|
z1= 1 0.480231283239290E-01 0.000000000000000E+00
|
|
z1= 2 0.446335063817270E-07 0.000000000000000E+00
|
|
z1= 3 -0.315802077696333E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133508952035729E+02 read= 0.128052040344548E+02)
|
|
Weight for this step=-0.69536E+00 -0.80487E+01
|
|
|
|
Lanczos iteration: 95 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000095)= 0.000000
|
|
beta (00000095)= 12.805204
|
|
gamma(00000095)= 12.805204
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128052040344548E+02 read= 0.133820989453529E+02)
|
|
Weight for this step= 0.68442E+00 0.89713E+01
|
|
|
|
Lanczos iteration: 96 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000096)= 0.000000
|
|
beta (00000096)= 13.382099
|
|
gamma(00000096)= 13.382099
|
|
z1= 1 -0.459528777265740E-01 0.000000000000000E+00
|
|
z1= 2 -0.450823465646295E-07 0.000000000000000E+00
|
|
z1= 3 0.321313068484940E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133820989453529E+02 read= 0.128185796049952E+02)
|
|
Weight for this step= 0.69819E+00 0.81406E+01
|
|
|
|
Lanczos iteration: 97 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000097)= 0.000000
|
|
beta (00000097)= 12.818580
|
|
gamma(00000097)= 12.818580
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128185796049952E+02 read= 0.135243212122995E+02)
|
|
Weight for this step=-0.67949E+00 -0.89500E+01
|
|
|
|
Lanczos iteration: 98 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000098)= 0.000000
|
|
beta (00000098)= 13.524321
|
|
gamma(00000098)= 13.524321
|
|
z1= 1 0.435549120706330E-01 0.000000000000000E+00
|
|
z1= 2 0.451564193832549E-07 0.000000000000000E+00
|
|
z1= 3 -0.323318402880657E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135243212122995E+02 read= 0.130599085309950E+02)
|
|
Weight for this step=-0.69398E+00 -0.81491E+01
|
|
|
|
Lanczos iteration: 99 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000099)= 0.000000
|
|
beta (00000099)= 13.059909
|
|
gamma(00000099)= 13.059909
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130599085309950E+02 read= 0.135086281340855E+02)
|
|
Weight for this step= 0.66949E+00 0.88597E+01
|
|
|
|
Lanczos iteration: 100 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000100)= 0.000000
|
|
beta (00000100)= 13.508628
|
|
gamma(00000100)= 13.508628
|
|
z1= 1 -0.421081372639700E-01 0.000000000000000E+00
|
|
z1= 2 -0.461244802699157E-07 0.000000000000000E+00
|
|
z1= 3 0.330653864283456E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135086281340855E+02 read= 0.126954584871679E+02)
|
|
Weight for this step= 0.70272E+00 0.83078E+01
|
|
|
|
Lanczos iteration: 101 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000101)= 0.000000
|
|
beta (00000101)= 12.695458
|
|
gamma(00000101)= 12.695458
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126954584871679E+02 read= 0.133887692392682E+02)
|
|
Weight for this step=-0.67679E+00 -0.89988E+01
|
|
|
|
Lanczos iteration: 102 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000102)= 0.000000
|
|
beta (00000102)= 13.388769
|
|
gamma(00000102)= 13.388769
|
|
z1= 1 0.399276512316614E-01 0.000000000000000E+00
|
|
z1= 2 0.463551352034366E-07 0.000000000000000E+00
|
|
z1= 3 -0.331760158975812E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133887692392682E+02 read= 0.128705985794704E+02)
|
|
Weight for this step=-0.69874E+00 -0.83176E+01
|
|
|
|
Lanczos iteration: 103 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000103)= 0.000000
|
|
beta (00000103)= 12.870599
|
|
gamma(00000103)= 12.870599
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128705985794704E+02 read= 0.134324185470145E+02)
|
|
Weight for this step= 0.66915E+00 0.89380E+01
|
|
|
|
Lanczos iteration: 104 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000104)= 0.000000
|
|
beta (00000104)= 13.432419
|
|
gamma(00000104)= 13.432419
|
|
z1= 1 -0.382576502827952E-01 0.000000000000000E+00
|
|
z1= 2 -0.470530384152207E-07 0.000000000000000E+00
|
|
z1= 3 0.335659966919834E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134324185470145E+02 read= 0.128104487705224E+02)
|
|
Weight for this step= 0.70146E+00 0.84053E+01
|
|
|
|
Lanczos iteration: 105 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000105)= 0.000000
|
|
beta (00000105)= 12.810449
|
|
gamma(00000105)= 12.810449
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128104487705224E+02 read= 0.132219660563888E+02)
|
|
Weight for this step=-0.66645E+00 -0.89424E+01
|
|
|
|
Lanczos iteration: 106 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000106)= 0.000000
|
|
beta (00000106)= 13.221966
|
|
gamma(00000106)= 13.221966
|
|
z1= 1 0.370669283931111E-01 0.000000000000000E+00
|
|
z1= 2 0.482876409673566E-07 0.000000000000000E+00
|
|
z1= 3 -0.342497148474261E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132219660563888E+02 read= 0.127399304897495E+02)
|
|
Weight for this step=-0.71195E+00 -0.85865E+01
|
|
|
|
Lanczos iteration: 107 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000107)= 0.000000
|
|
beta (00000107)= 12.739930
|
|
gamma(00000107)= 12.739930
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127399304897495E+02 read= 0.133741055385605E+02)
|
|
Weight for this step= 0.65576E+00 0.88395E+01
|
|
|
|
Lanczos iteration: 108 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000108)= 0.000000
|
|
beta (00000108)= 13.374106
|
|
gamma(00000108)= 13.374106
|
|
z1= 1 -0.353092840366193E-01 0.000000000000000E+00
|
|
z1= 2 -0.486667185318340E-07 0.000000000000000E+00
|
|
z1= 3 0.342887199495257E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133741055385605E+02 read= 0.128403046943294E+02)
|
|
Weight for this step= 0.70963E+00 0.86120E+01
|
|
|
|
Lanczos iteration: 109 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000109)= 0.000000
|
|
beta (00000109)= 12.840305
|
|
gamma(00000109)= 12.840305
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128403046943294E+02 read= 0.132368933165571E+02)
|
|
Weight for this step=-0.64751E+00 -0.87679E+01
|
|
|
|
Lanczos iteration: 110 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000110)= 0.000000
|
|
beta (00000110)= 13.236893
|
|
gamma(00000110)= 13.236893
|
|
z1= 1 0.342513877483403E-01 0.000000000000000E+00
|
|
z1= 2 0.499031949556875E-07 0.000000000000000E+00
|
|
z1= 3 -0.348998841956903E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132368933165571E+02 read= 0.128338485519958E+02)
|
|
Weight for this step=-0.71972E+00 -0.87876E+01
|
|
|
|
Lanczos iteration: 111 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000111)= 0.000000
|
|
beta (00000111)= 12.833849
|
|
gamma(00000111)= 12.833849
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128338485519958E+02 read= 0.135644727869464E+02)
|
|
Weight for this step= 0.63182E+00 0.85949E+01
|
|
|
|
Lanczos iteration: 112 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000112)= 0.000000
|
|
beta (00000112)= 13.564473
|
|
gamma(00000112)= 13.564473
|
|
z1= 1 -0.324065026309690E-01 0.000000000000000E+00
|
|
z1= 2 -0.497965629130820E-07 0.000000000000000E+00
|
|
z1= 3 0.345552492809001E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135644727869464E+02 read= 0.129466155966912E+02)
|
|
Weight for this step= 0.71081E+00 0.87291E+01
|
|
|
|
Lanczos iteration: 113 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000113)= 0.000000
|
|
beta (00000113)= 12.946616
|
|
gamma(00000113)= 12.946616
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129466155966912E+02 read= 0.133084148628577E+02)
|
|
Weight for this step=-0.62671E+00 -0.85637E+01
|
|
|
|
Lanczos iteration: 114 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000114)= 0.000000
|
|
beta (00000114)= 13.308415
|
|
gamma(00000114)= 13.308415
|
|
z1= 1 0.315255074867892E-01 0.000000000000000E+00
|
|
z1= 2 0.511079930086769E-07 0.000000000000000E+00
|
|
z1= 3 -0.351029369279250E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133084148628577E+02 read= 0.128233562152077E+02)
|
|
Weight for this step=-0.72167E+00 -0.89131E+01
|
|
|
|
Lanczos iteration: 115 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000115)= 0.000000
|
|
beta (00000115)= 12.823356
|
|
gamma(00000115)= 12.823356
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128233562152077E+02 read= 0.134440155704403E+02)
|
|
Weight for this step= 0.61427E+00 0.84326E+01
|
|
|
|
Lanczos iteration: 116 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000116)= 0.000000
|
|
beta (00000116)= 13.444016
|
|
gamma(00000116)= 13.444016
|
|
z1= 1 -0.300700940318128E-01 0.000000000000000E+00
|
|
z1= 2 -0.513578121055097E-07 0.000000000000000E+00
|
|
z1= 3 0.348077516204668E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134440155704403E+02 read= 0.126207042476293E+02)
|
|
Weight for this step= 0.71764E+00 0.89122E+01
|
|
|
|
Lanczos iteration: 117 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000117)= 0.000000
|
|
beta (00000117)= 12.620704
|
|
gamma(00000117)= 12.620704
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126207042476293E+02 read= 0.133358340946131E+02)
|
|
Weight for this step=-0.61783E+00 -0.85204E+01
|
|
|
|
Lanczos iteration: 118 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000118)= 0.000000
|
|
beta (00000118)= 13.335834
|
|
gamma(00000118)= 13.335834
|
|
z1= 1 0.284575948366972E-01 0.000000000000000E+00
|
|
z1= 2 0.512474246016845E-07 0.000000000000000E+00
|
|
z1= 3 -0.342251925348059E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133358340946131E+02 read= 0.127902596953441E+02)
|
|
Weight for this step=-0.70884E+00 -0.88526E+01
|
|
|
|
Lanczos iteration: 119 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000119)= 0.000000
|
|
beta (00000119)= 12.790260
|
|
gamma(00000119)= 12.790260
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127902596953441E+02 read= 0.132027153480973E+02)
|
|
Weight for this step= 0.60860E+00 0.84307E+01
|
|
|
|
Lanczos iteration: 120 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000120)= 0.000000
|
|
beta (00000120)= 13.202715
|
|
gamma(00000120)= 13.202715
|
|
z1= 1 -0.275685734842943E-01 0.000000000000000E+00
|
|
z1= 2 -0.522044902046687E-07 0.000000000000000E+00
|
|
z1= 3 0.343832841170303E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132027153480973E+02 read= 0.125332059828680E+02)
|
|
Weight for this step= 0.71623E+00 0.89941E+01
|
|
|
|
Lanczos iteration: 121 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000121)= 0.000000
|
|
beta (00000121)= 12.533206
|
|
gamma(00000121)= 12.533206
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125332059828680E+02 read= 0.132558584498930E+02)
|
|
Weight for this step=-0.60441E+00 -0.84112E+01
|
|
|
|
Lanczos iteration: 122 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000122)= 0.000000
|
|
beta (00000122)= 13.255858
|
|
gamma(00000122)= 13.255858
|
|
z1= 1 0.260656532685955E-01 0.000000000000000E+00
|
|
z1= 2 0.517861433457778E-07 0.000000000000000E+00
|
|
z1= 3 -0.336811484864959E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132558584498930E+02 read= 0.127625193338744E+02)
|
|
Weight for this step=-0.70640E+00 -0.89192E+01
|
|
|
|
Lanczos iteration: 123 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000123)= 0.000000
|
|
beta (00000123)= 12.762519
|
|
gamma(00000123)= 12.762519
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127625193338744E+02 read= 0.133430423619222E+02)
|
|
Weight for this step= 0.59225E+00 0.82788E+01
|
|
|
|
Lanczos iteration: 124 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000124)= 0.000000
|
|
beta (00000124)= 13.343042
|
|
gamma(00000124)= 13.343042
|
|
z1= 1 -0.249316006625189E-01 0.000000000000000E+00
|
|
z1= 2 -0.517887105769277E-07 0.000000000000000E+00
|
|
z1= 3 0.333171838678525E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133430423619222E+02 read= 0.126968311946249E+02)
|
|
Weight for this step= 0.70410E+00 0.89373E+01
|
|
|
|
Lanczos iteration: 125 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000125)= 0.000000
|
|
beta (00000125)= 12.696831
|
|
gamma(00000125)= 12.696831
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126968311946249E+02 read= 0.134485532754420E+02)
|
|
Weight for this step=-0.58679E+00 -0.82394E+01
|
|
|
|
Lanczos iteration: 126 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000126)= 0.000000
|
|
beta (00000126)= 13.448553
|
|
gamma(00000126)= 13.448553
|
|
z1= 1 0.235380206733349E-01 0.000000000000000E+00
|
|
z1= 2 0.510787619128344E-07 0.000000000000000E+00
|
|
z1= 3 -0.325062213065613E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134485532754420E+02 read= 0.127069915040018E+02)
|
|
Weight for this step=-0.69269E+00 -0.88389E+01
|
|
|
|
Lanczos iteration: 127 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000127)= 0.000000
|
|
beta (00000127)= 12.706992
|
|
gamma(00000127)= 12.706992
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127069915040018E+02 read= 0.133427671646429E+02)
|
|
Weight for this step= 0.58605E+00 0.82648E+01
|
|
|
|
Lanczos iteration: 128 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000128)= 0.000000
|
|
beta (00000128)= 13.342767
|
|
gamma(00000128)= 13.342767
|
|
z1= 1 -0.224164466805406E-01 0.000000000000000E+00
|
|
z1= 2 -0.508236425219438E-07 0.000000000000000E+00
|
|
z1= 3 0.319614912202464E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133427671646429E+02 read= 0.127306971080919E+02)
|
|
Weight for this step= 0.68782E+00 0.88232E+01
|
|
|
|
Lanczos iteration: 129 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000129)= 0.000000
|
|
beta (00000129)= 12.730697
|
|
gamma(00000129)= 12.730697
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127306971080919E+02 read= 0.133290347672935E+02)
|
|
Weight for this step=-0.57955E+00 -0.82084E+01
|
|
|
|
Lanczos iteration: 130 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000130)= 0.000000
|
|
beta (00000130)= 13.329035
|
|
gamma(00000130)= 13.329035
|
|
z1= 1 0.214101769491897E-01 0.000000000000000E+00
|
|
z1= 2 0.506691758273004E-07 0.000000000000000E+00
|
|
z1= 3 -0.315016086054959E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133290347672935E+02 read= 0.126503645279547E+02)
|
|
Weight for this step=-0.68479E+00 -0.88303E+01
|
|
|
|
Lanczos iteration: 131 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000131)= 0.000000
|
|
beta (00000131)= 12.650365
|
|
gamma(00000131)= 12.650365
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126503645279547E+02 read= 0.131816936736810E+02)
|
|
Weight for this step= 0.57590E+00 0.81918E+01
|
|
|
|
Lanczos iteration: 132 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000132)= 0.000000
|
|
beta (00000132)= 13.181694
|
|
gamma(00000132)= 13.181694
|
|
z1= 1 -0.205471732024879E-01 0.000000000000000E+00
|
|
z1= 2 -0.507402873606289E-07 0.000000000000000E+00
|
|
z1= 3 0.311187584629163E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131816936736810E+02 read= 0.128925246114913E+02)
|
|
Weight for this step= 0.68517E+00 0.88812E+01
|
|
|
|
Lanczos iteration: 133 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000133)= 0.000000
|
|
beta (00000133)= 12.892525
|
|
gamma(00000133)= 12.892525
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128925246114913E+02 read= 0.133863102647725E+02)
|
|
Weight for this step=-0.55472E+00 -0.79246E+01
|
|
|
|
Lanczos iteration: 134 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000134)= 0.000000
|
|
beta (00000134)= 13.386310
|
|
gamma(00000134)= 13.386310
|
|
z1= 1 0.197892422161150E-01 0.000000000000000E+00
|
|
z1= 2 0.508738549186843E-07 0.000000000000000E+00
|
|
z1= 3 -0.307527693004916E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133863102647725E+02 read= 0.128027777309866E+02)
|
|
Weight for this step=-0.68643E+00 -0.89412E+01
|
|
|
|
Lanczos iteration: 135 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000135)= 0.000000
|
|
beta (00000135)= 12.802778
|
|
gamma(00000135)= 12.802778
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128027777309866E+02 read= 0.134760866385427E+02)
|
|
Weight for this step= 0.54561E+00 0.78286E+01
|
|
|
|
Lanczos iteration: 136 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000136)= 0.000000
|
|
beta (00000136)= 13.476087
|
|
gamma(00000136)= 13.476087
|
|
z1= 1 -0.188005076216233E-01 0.000000000000000E+00
|
|
z1= 2 -0.502851321528344E-07 0.000000000000000E+00
|
|
z1= 3 0.300224467057199E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134760866385427E+02 read= 0.128583195506067E+02)
|
|
Weight for this step= 0.67805E+00 0.88748E+01
|
|
|
|
Lanczos iteration: 137 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000137)= 0.000000
|
|
beta (00000137)= 12.858320
|
|
gamma(00000137)= 12.858320
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128583195506067E+02 read= 0.134064085333980E+02)
|
|
Weight for this step=-0.53799E+00 -0.77528E+01
|
|
|
|
Lanczos iteration: 138 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000138)= 0.000000
|
|
beta (00000138)= 13.406409
|
|
gamma(00000138)= 13.406409
|
|
z1= 1 0.180318937849924E-01 0.000000000000000E+00
|
|
z1= 2 0.501630927672927E-07 0.000000000000000E+00
|
|
z1= 3 -0.295676964087851E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134064085333980E+02 read= 0.130378600410357E+02)
|
|
Weight for this step=-0.67602E+00 -0.88905E+01
|
|
|
|
Lanczos iteration: 139 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000139)= 0.000000
|
|
beta (00000139)= 13.037860
|
|
gamma(00000139)= 13.037860
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130378600410357E+02 read= 0.133718676902925E+02)
|
|
Weight for this step= 0.51994E+00 0.75256E+01
|
|
|
|
Lanczos iteration: 140 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000140)= 0.000000
|
|
beta (00000140)= 13.371868
|
|
gamma(00000140)= 13.371868
|
|
z1= 1 -0.175814862133452E-01 0.000000000000000E+00
|
|
z1= 2 -0.507257930451588E-07 0.000000000000000E+00
|
|
z1= 3 0.295619578261617E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133718676902925E+02 read= 0.128274233736851E+02)
|
|
Weight for this step= 0.68403E+00 0.90369E+01
|
|
|
|
Lanczos iteration: 141 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000141)= 0.000000
|
|
beta (00000141)= 12.827423
|
|
gamma(00000141)= 12.827423
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128274233736851E+02 read= 0.134285435419373E+02)
|
|
Weight for this step=-0.50781E+00 -0.73838E+01
|
|
|
|
Lanczos iteration: 142 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000142)= 0.000000
|
|
beta (00000142)= 13.428544
|
|
gamma(00000142)= 13.428544
|
|
z1= 1 0.167944622209305E-01 0.000000000000000E+00
|
|
z1= 2 0.501606227838736E-07 0.000000000000000E+00
|
|
z1= 3 -0.289734636816329E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134285435419373E+02 read= 0.127436339334412E+02)
|
|
Weight for this step=-0.67761E+00 -0.89923E+01
|
|
|
|
Lanczos iteration: 143 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000143)= 0.000000
|
|
beta (00000143)= 12.743634
|
|
gamma(00000143)= 12.743634
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127436339334412E+02 read= 0.135244371724321E+02)
|
|
Weight for this step= 0.50100E+00 0.73186E+01
|
|
|
|
Lanczos iteration: 144 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000144)= 0.000000
|
|
beta (00000144)= 13.524437
|
|
gamma(00000144)= 13.524437
|
|
z1= 1 -0.158248713734872E-01 0.000000000000000E+00
|
|
z1= 2 -0.488827685257015E-07 0.000000000000000E+00
|
|
z1= 3 0.279326030175353E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135244371724321E+02 read= 0.128725691660522E+02)
|
|
Weight for this step= 0.66220E+00 0.88275E+01
|
|
|
|
Lanczos iteration: 145 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000145)= 0.000000
|
|
beta (00000145)= 12.872569
|
|
gamma(00000145)= 12.872569
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128725691660522E+02 read= 0.133475638673427E+02)
|
|
Weight for this step=-0.49338E+00 -0.72403E+01
|
|
|
|
Lanczos iteration: 146 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000146)= 0.000000
|
|
beta (00000146)= 13.347564
|
|
gamma(00000146)= 13.347564
|
|
z1= 1 0.152617176680082E-01 0.000000000000000E+00
|
|
z1= 2 0.487028893724623E-07 0.000000000000000E+00
|
|
z1= 3 -0.274202059382604E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133475638673427E+02 read= 0.130029249833037E+02)
|
|
Weight for this step=-0.66229E+00 -0.88684E+01
|
|
|
|
Lanczos iteration: 147 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000147)= 0.000000
|
|
beta (00000147)= 13.002925
|
|
gamma(00000147)= 13.002925
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130029249833037E+02 read= 0.134541302368741E+02)
|
|
Weight for this step= 0.47380E+00 0.69857E+01
|
|
|
|
Lanczos iteration: 148 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000148)= 0.000000
|
|
beta (00000148)= 13.454130
|
|
gamma(00000148)= 13.454130
|
|
z1= 1 -0.147498921490728E-01 0.000000000000000E+00
|
|
z1= 2 -0.484820199832779E-07 0.000000000000000E+00
|
|
z1= 3 0.268907042839863E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134541302368741E+02 read= 0.128254544110279E+02)
|
|
Weight for this step= 0.66261E+00 0.89109E+01
|
|
|
|
Lanczos iteration: 149 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000149)= 0.000000
|
|
beta (00000149)= 12.825454
|
|
gamma(00000149)= 12.825454
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128254544110279E+02 read= 0.134399078211972E+02)
|
|
Weight for this step=-0.46390E+00 -0.68733E+01
|
|
|
|
Lanczos iteration: 150 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000150)= 0.000000
|
|
beta (00000150)= 13.439908
|
|
gamma(00000150)= 13.439908
|
|
z1= 1 0.140755481244559E-01 0.000000000000000E+00
|
|
z1= 2 0.475473616863391E-07 0.000000000000000E+00
|
|
z1= 3 -0.260739841916329E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134399078211972E+02 read= 0.127274297993628E+02)
|
|
Weight for this step=-0.65440E+00 -0.88383E+01
|
|
|
|
Lanczos iteration: 151 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000151)= 0.000000
|
|
beta (00000151)= 12.727430
|
|
gamma(00000151)= 12.727430
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127274297993628E+02 read= 0.134160530099476E+02)
|
|
Weight for this step= 0.45690E+00 0.68034E+01
|
|
|
|
Lanczos iteration: 152 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000152)= 0.000000
|
|
beta (00000152)= 13.416053
|
|
gamma(00000152)= 13.416053
|
|
z1= 1 -0.133530741499556E-01 0.000000000000000E+00
|
|
z1= 2 -0.463061296130524E-07 0.000000000000000E+00
|
|
z1= 3 0.250775353538026E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134160530099476E+02 read= 0.124758730098577E+02)
|
|
Weight for this step= 0.64260E+00 0.87167E+01
|
|
|
|
Lanczos iteration: 153 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000153)= 0.000000
|
|
beta (00000153)= 12.475873
|
|
gamma(00000153)= 12.475873
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124758730098577E+02 read= 0.134723353347202E+02)
|
|
Weight for this step=-0.45832E+00 -0.68587E+01
|
|
|
|
Lanczos iteration: 154 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000154)= 0.000000
|
|
beta (00000154)= 13.472335
|
|
gamma(00000154)= 13.472335
|
|
z1= 1 0.123654328108007E-01 0.000000000000000E+00
|
|
z1= 2 0.440321977421276E-07 0.000000000000000E+00
|
|
z1= 3 -0.234461262223727E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134723353347202E+02 read= 0.127645475963380E+02)
|
|
Weight for this step=-0.61683E+00 -0.84052E+01
|
|
|
|
Lanczos iteration: 155 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000155)= 0.000000
|
|
beta (00000155)= 12.764548
|
|
gamma(00000155)= 12.764548
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127645475963380E+02 read= 0.134168906379366E+02)
|
|
Weight for this step= 0.45276E+00 0.68079E+01
|
|
|
|
Lanczos iteration: 156 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000156)= 0.000000
|
|
beta (00000156)= 13.416891
|
|
gamma(00000156)= 13.416891
|
|
z1= 1 -0.117642127317109E-01 0.000000000000000E+00
|
|
z1= 2 -0.429813866620506E-07 0.000000000000000E+00
|
|
z1= 3 0.224802128922044E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134168906379366E+02 read= 0.128662415509369E+02)
|
|
Weight for this step= 0.60842E+00 0.83288E+01
|
|
|
|
Lanczos iteration: 157 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000157)= 0.000000
|
|
beta (00000157)= 12.866242
|
|
gamma(00000157)= 12.866242
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128662415509369E+02 read= 0.134701240799646E+02)
|
|
Weight for this step=-0.44183E+00 -0.66755E+01
|
|
|
|
Lanczos iteration: 158 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000158)= 0.000000
|
|
beta (00000158)= 13.470124
|
|
gamma(00000158)= 13.470124
|
|
z1= 1 0.112368083444706E-01 0.000000000000000E+00
|
|
z1= 2 0.420337411283916E-07 0.000000000000000E+00
|
|
z1= 3 -0.216216762622323E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134701240799646E+02 read= 0.126257897266491E+02)
|
|
Weight for this step=-0.60212E+00 -0.82798E+01
|
|
|
|
Lanczos iteration: 159 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000159)= 0.000000
|
|
beta (00000159)= 12.625790
|
|
gamma(00000159)= 12.625790
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126257897266491E+02 read= 0.132517048780212E+02)
|
|
Weight for this step= 0.44081E+00 0.66926E+01
|
|
|
|
Lanczos iteration: 160 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000160)= 0.000000
|
|
beta (00000160)= 13.251705
|
|
gamma(00000160)= 13.251705
|
|
z1= 1 -0.107060624019215E-01 0.000000000000000E+00
|
|
z1= 2 -0.409554010596773E-07 0.000000000000000E+00
|
|
z1= 3 0.207255987911918E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132517048780212E+02 read= 0.125585535910817E+02)
|
|
Weight for this step= 0.59495E+00 0.82194E+01
|
|
|
|
Lanczos iteration: 161 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000161)= 0.000000
|
|
beta (00000161)= 12.558554
|
|
gamma(00000161)= 12.558554
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125585535910817E+02 read= 0.134096702175043E+02)
|
|
Weight for this step=-0.43479E+00 -0.66335E+01
|
|
|
|
Lanczos iteration: 162 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000162)= 0.000000
|
|
beta (00000162)= 13.409670
|
|
gamma(00000162)= 13.409670
|
|
z1= 1 0.100265447429489E-01 0.000000000000000E+00
|
|
z1= 2 0.391571174022769E-07 0.000000000000000E+00
|
|
z1= 3 -0.194481078777772E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134096702175043E+02 read= 0.126302768284285E+02)
|
|
Weight for this step=-0.57792E+00 -0.80215E+01
|
|
|
|
Lanczos iteration: 163 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000163)= 0.000000
|
|
beta (00000163)= 12.630277
|
|
gamma(00000163)= 12.630277
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126302768284285E+02 read= 0.131704914968502E+02)
|
|
Weight for this step= 0.43230E+00 0.66270E+01
|
|
|
|
Lanczos iteration: 164 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000164)= 0.000000
|
|
beta (00000164)= 13.170491
|
|
gamma(00000164)= 13.170491
|
|
z1= 1 -0.961528548622169E-02 0.000000000000000E+00
|
|
z1= 2 -0.382506954782133E-07 0.000000000000000E+00
|
|
z1= 3 0.186274854260853E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131704914968502E+02 read= 0.127235582071354E+02)
|
|
Weight for this step= 0.57519E+00 0.80219E+01
|
|
|
|
Lanczos iteration: 165 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000165)= 0.000000
|
|
beta (00000165)= 12.723558
|
|
gamma(00000165)= 12.723558
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127235582071354E+02 read= 0.134146119506506E+02)
|
|
Weight for this step=-0.41852E+00 -0.64471E+01
|
|
|
|
Lanczos iteration: 166 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000166)= 0.000000
|
|
beta (00000166)= 13.414612
|
|
gamma(00000166)= 13.414612
|
|
z1= 1 0.911995404803585E-02 0.000000000000000E+00
|
|
z1= 2 0.368479186924238E-07 0.000000000000000E+00
|
|
z1= 3 -0.176404693675265E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134146119506506E+02 read= 0.127361319102971E+02)
|
|
Weight for this step=-0.56551E+00 -0.79233E+01
|
|
|
|
Lanczos iteration: 167 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000167)= 0.000000
|
|
beta (00000167)= 12.736132
|
|
gamma(00000167)= 12.736132
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127361319102971E+02 read= 0.134784853978345E+02)
|
|
Weight for this step= 0.41237E+00 0.63832E+01
|
|
|
|
Lanczos iteration: 168 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000168)= 0.000000
|
|
beta (00000168)= 13.478485
|
|
gamma(00000168)= 13.478485
|
|
z1= 1 -0.861765505123408E-02 0.000000000000000E+00
|
|
z1= 2 -0.352632811770337E-07 0.000000000000000E+00
|
|
z1= 3 0.166516599363342E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134784853978345E+02 read= 0.126667863291922E+02)
|
|
Weight for this step= 0.55391E+00 0.77969E+01
|
|
|
|
Lanczos iteration: 169 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000169)= 0.000000
|
|
beta (00000169)= 12.666786
|
|
gamma(00000169)= 12.666786
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126667863291922E+02 read= 0.133512350705103E+02)
|
|
Weight for this step=-0.41079E+00 -0.63893E+01
|
|
|
|
Lanczos iteration: 170 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000170)= 0.000000
|
|
beta (00000170)= 13.351235
|
|
gamma(00000170)= 13.351235
|
|
z1= 1 0.817587246544484E-02 0.000000000000000E+00
|
|
z1= 2 0.337889512107628E-07 0.000000000000000E+00
|
|
z1= 3 -0.157034150320787E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133512350705103E+02 read= 0.127481595485934E+02)
|
|
Weight for this step=-0.54518E+00 -0.77105E+01
|
|
|
|
Lanczos iteration: 171 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000171)= 0.000000
|
|
beta (00000171)= 12.748160
|
|
gamma(00000171)= 12.748160
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127481595485934E+02 read= 0.133872137430914E+02)
|
|
Weight for this step= 0.40283E+00 0.62956E+01
|
|
|
|
Lanczos iteration: 172 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000172)= 0.000000
|
|
beta (00000172)= 13.387214
|
|
gamma(00000172)= 13.387214
|
|
z1= 1 -0.778558769872710E-02 0.000000000000000E+00
|
|
z1= 2 -0.323918396905390E-07 0.000000000000000E+00
|
|
z1= 3 0.147357753474452E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133872137430914E+02 read= 0.128260109115990E+02)
|
|
Weight for this step= 0.53838E+00 0.76503E+01
|
|
|
|
Lanczos iteration: 173 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000173)= 0.000000
|
|
beta (00000173)= 12.826011
|
|
gamma(00000173)= 12.826011
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128260109115990E+02 read= 0.134741207758896E+02)
|
|
Weight for this step=-0.39358E+00 -0.61806E+01
|
|
|
|
Lanczos iteration: 174 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000174)= 0.000000
|
|
beta (00000174)= 13.474121
|
|
gamma(00000174)= 13.474121
|
|
z1= 1 0.741109824069335E-02 0.000000000000000E+00
|
|
z1= 2 0.309310886057769E-07 0.000000000000000E+00
|
|
z1= 3 -0.137577055537783E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134741207758896E+02 read= 0.128040641155709E+02)
|
|
Weight for this step=-0.53115E+00 -0.75826E+01
|
|
|
|
Lanczos iteration: 175 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000175)= 0.000000
|
|
beta (00000175)= 12.804064
|
|
gamma(00000175)= 12.804064
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128040641155709E+02 read= 0.133599676578791E+02)
|
|
Weight for this step= 0.38761E+00 0.61163E+01
|
|
|
|
Lanczos iteration: 176 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000176)= 0.000000
|
|
beta (00000176)= 13.359968
|
|
gamma(00000176)= 13.359968
|
|
z1= 1 -0.710272505672342E-02 0.000000000000000E+00
|
|
z1= 2 -0.295749521027691E-07 0.000000000000000E+00
|
|
z1= 3 0.128297817576545E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133599676578791E+02 read= 0.127550124203339E+02)
|
|
Weight for this step= 0.52758E+00 0.75668E+01
|
|
|
|
Lanczos iteration: 177 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000177)= 0.000000
|
|
beta (00000177)= 12.755012
|
|
gamma(00000177)= 12.755012
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127550124203339E+02 read= 0.132886584906839E+02)
|
|
Weight for this step=-0.37951E+00 -0.60180E+01
|
|
|
|
Lanczos iteration: 178 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000178)= 0.000000
|
|
beta (00000178)= 13.288658
|
|
gamma(00000178)= 13.288658
|
|
z1= 1 0.681749375832314E-02 0.000000000000000E+00
|
|
z1= 2 0.282435488681461E-07 0.000000000000000E+00
|
|
z1= 3 -0.118262592785096E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132886584906839E+02 read= 0.126903497911477E+02)
|
|
Weight for this step=-0.52464E+00 -0.75594E+01
|
|
|
|
Lanczos iteration: 179 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000179)= 0.000000
|
|
beta (00000179)= 12.690350
|
|
gamma(00000179)= 12.690350
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126903497911477E+02 read= 0.134378138741400E+02)
|
|
Weight for this step= 0.37094E+00 0.59118E+01
|
|
|
|
Lanczos iteration: 180 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000180)= 0.000000
|
|
beta (00000180)= 13.437814
|
|
gamma(00000180)= 13.437814
|
|
z1= 1 -0.643827792990801E-02 0.000000000000000E+00
|
|
z1= 2 -0.265500085762024E-07 0.000000000000000E+00
|
|
z1= 3 0.105977536838395E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134378138741400E+02 read= 0.127577336002221E+02)
|
|
Weight for this step= 0.51308E+00 0.74270E+01
|
|
|
|
Lanczos iteration: 181 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000181)= 0.000000
|
|
beta (00000181)= 12.757734
|
|
gamma(00000181)= 12.757734
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127577336002221E+02 read= 0.134696474473210E+02)
|
|
Weight for this step=-0.36497E+00 -0.58458E+01
|
|
|
|
Lanczos iteration: 182 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000182)= 0.000000
|
|
beta (00000182)= 13.469647
|
|
gamma(00000182)= 13.469647
|
|
z1= 1 0.609799439778902E-02 0.000000000000000E+00
|
|
z1= 2 0.249957716697089E-07 0.000000000000000E+00
|
|
z1= 3 -0.941321957257909E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134696474473210E+02 read= 0.128150209639794E+02)
|
|
Weight for this step=-0.50327E+00 -0.73186E+01
|
|
|
|
Lanczos iteration: 183 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000183)= 0.000000
|
|
beta (00000183)= 12.815021
|
|
gamma(00000183)= 12.815021
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128150209639794E+02 read= 0.135745831129780E+02)
|
|
Weight for this step= 0.35848E+00 0.57705E+01
|
|
|
|
Lanczos iteration: 184 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000184)= 0.000000
|
|
beta (00000184)= 13.574583
|
|
gamma(00000184)= 13.574583
|
|
z1= 1 -0.575678276050954E-02 0.000000000000000E+00
|
|
z1= 2 -0.234037534989871E-07 0.000000000000000E+00
|
|
z1= 3 0.822824835090136E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135745831129780E+02 read= 0.127933607378842E+02)
|
|
Weight for this step= 0.49197E+00 0.71873E+01
|
|
|
|
Lanczos iteration: 185 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000185)= 0.000000
|
|
beta (00000185)= 12.793361
|
|
gamma(00000185)= 12.793361
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127933607378842E+02 read= 0.132925267178708E+02)
|
|
Weight for this step=-0.35576E+00 -0.57551E+01
|
|
|
|
Lanczos iteration: 186 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000186)= 0.000000
|
|
beta (00000186)= 13.292527
|
|
gamma(00000186)= 13.292527
|
|
z1= 1 0.554060188164354E-02 0.000000000000000E+00
|
|
z1= 2 0.223190837504370E-07 0.000000000000000E+00
|
|
z1= 3 -0.719195333343838E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132925267178708E+02 read= 0.127971120163671E+02)
|
|
Weight for this step=-0.49058E+00 -0.72009E+01
|
|
|
|
Lanczos iteration: 187 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000187)= 0.000000
|
|
beta (00000187)= 12.797112
|
|
gamma(00000187)= 12.797112
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127971120163671E+02 read= 0.134819375679765E+02)
|
|
Weight for this step= 0.34500E+00 0.56095E+01
|
|
|
|
Lanczos iteration: 188 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000188)= 0.000000
|
|
beta (00000188)= 13.481938
|
|
gamma(00000188)= 13.481938
|
|
z1= 1 -0.525916268043730E-02 0.000000000000000E+00
|
|
z1= 2 -0.209639225646954E-07 0.000000000000000E+00
|
|
z1= 3 0.615718953058363E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134819375679765E+02 read= 0.130675525806551E+02)
|
|
Weight for this step= 0.48200E+00 0.71075E+01
|
|
|
|
Lanczos iteration: 189 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000189)= 0.000000
|
|
beta (00000189)= 13.067553
|
|
gamma(00000189)= 13.067553
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130675525806551E+02 read= 0.136084674523123E+02)
|
|
Weight for this step=-0.33234E+00 -0.54314E+01
|
|
|
|
Lanczos iteration: 190 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000190)= 0.000000
|
|
beta (00000190)= 13.608467
|
|
gamma(00000190)= 13.608467
|
|
z1= 1 0.505011935382601E-02 0.000000000000000E+00
|
|
z1= 2 0.198935288285920E-07 0.000000000000000E+00
|
|
z1= 3 -0.524178131932826E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136084674523123E+02 read= 0.128043336278080E+02)
|
|
Weight for this step=-0.47843E+00 -0.70863E+01
|
|
|
|
Lanczos iteration: 191 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000191)= 0.000000
|
|
beta (00000191)= 12.804334
|
|
gamma(00000191)= 12.804334
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128043336278080E+02 read= 0.134596829008343E+02)
|
|
Weight for this step= 0.32930E+00 0.54101E+01
|
|
|
|
Lanczos iteration: 192 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000192)= 0.000000
|
|
beta (00000192)= 13.459683
|
|
gamma(00000192)= 13.459683
|
|
z1= 1 -0.480423005081577E-02 0.000000000000000E+00
|
|
z1= 2 -0.186688417613389E-07 0.000000000000000E+00
|
|
z1= 3 0.432132990895178E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134596829008343E+02 read= 0.126694001789383E+02)
|
|
Weight for this step= 0.47074E+00 0.70044E+01
|
|
|
|
Lanczos iteration: 193 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000193)= 0.000000
|
|
beta (00000193)= 12.669400
|
|
gamma(00000193)= 12.669400
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126694001789383E+02 read= 0.132062409279301E+02)
|
|
Weight for this step=-0.32608E+00 -0.53857E+01
|
|
|
|
Lanczos iteration: 194 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000194)= 0.000000
|
|
beta (00000194)= 13.206241
|
|
gamma(00000194)= 13.206241
|
|
z1= 1 0.460893553264945E-02 0.000000000000000E+00
|
|
z1= 2 0.176582664800041E-07 0.000000000000000E+00
|
|
z1= 3 -0.345413356294191E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132062409279301E+02 read= 0.127602278572073E+02)
|
|
Weight for this step=-0.46736E+00 -0.69866E+01
|
|
|
|
Lanczos iteration: 195 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000195)= 0.000000
|
|
beta (00000195)= 12.760228
|
|
gamma(00000195)= 12.760228
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127602278572073E+02 read= 0.131868778821500E+02)
|
|
Weight for this step= 0.31404E+00 0.52155E+01
|
|
|
|
Lanczos iteration: 196 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000196)= 0.000000
|
|
beta (00000196)= 13.186878
|
|
gamma(00000196)= 13.186878
|
|
z1= 1 -0.445981741101847E-02 0.000000000000000E+00
|
|
z1= 2 -0.168236589910900E-07 0.000000000000000E+00
|
|
z1= 3 0.266703694320873E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131868778821500E+02 read= 0.128654743358168E+02)
|
|
Weight for this step= 0.46744E+00 0.70195E+01
|
|
|
|
Lanczos iteration: 197 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000197)= 0.000000
|
|
beta (00000197)= 12.865474
|
|
gamma(00000197)= 12.865474
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128654743358168E+02 read= 0.134805340522701E+02)
|
|
Weight for this step=-0.29865E+00 -0.49886E+01
|
|
|
|
Lanczos iteration: 198 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000198)= 0.000000
|
|
beta (00000198)= 13.480534
|
|
gamma(00000198)= 13.480534
|
|
z1= 1 0.425633481740478E-02 0.000000000000000E+00
|
|
z1= 2 0.157867243605900E-07 0.000000000000000E+00
|
|
z1= 3 -0.192997403307285E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134805340522701E+02 read= 0.127319242283774E+02)
|
|
Weight for this step=-0.46024E+00 -0.69415E+01
|
|
|
|
Lanczos iteration: 199 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000199)= 0.000000
|
|
beta (00000199)= 12.731924
|
|
gamma(00000199)= 12.731924
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127319242283774E+02 read= 0.134325366035824E+02)
|
|
Weight for this step= 0.29309E+00 0.49250E+01
|
|
|
|
Lanczos iteration: 200 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000200)= 0.000000
|
|
beta (00000200)= 13.432537
|
|
gamma(00000200)= 13.432537
|
|
z1= 1 -0.403433349821283E-02 0.000000000000000E+00
|
|
z1= 2 -0.146561521916118E-07 0.000000000000000E+00
|
|
z1= 3 0.121353209057116E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134325366035824E+02 read= 0.125949628311867E+02)
|
|
Weight for this step= 0.45015E+00 0.68195E+01
|
|
|
|
Lanczos iteration: 201 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000201)= 0.000000
|
|
beta (00000201)= 12.594963
|
|
gamma(00000201)= 12.594963
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125949628311867E+02 read= 0.134582926091291E+02)
|
|
Weight for this step=-0.28973E+00 -0.48980E+01
|
|
|
|
Lanczos iteration: 202 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000202)= 0.000000
|
|
beta (00000202)= 13.458293
|
|
gamma(00000202)= 13.458293
|
|
z1= 1 0.377553690756692E-02 0.000000000000000E+00
|
|
z1= 2 0.133355617002676E-07 0.000000000000000E+00
|
|
z1= 3 -0.517878386469038E-09 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134582926091291E+02 read= 0.127988389250930E+02)
|
|
Weight for this step=-0.43500E+00 -0.66203E+01
|
|
|
|
Lanczos iteration: 203 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000203)= 0.000000
|
|
beta (00000203)= 12.798839
|
|
gamma(00000203)= 12.798839
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127988389250930E+02 read= 0.135715618926781E+02)
|
|
Weight for this step= 0.28293E+00 0.48117E+01
|
|
|
|
Lanczos iteration: 204 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000204)= 0.000000
|
|
beta (00000204)= 13.571562
|
|
gamma(00000204)= 13.571562
|
|
z1= 1 -0.356056945529338E-02 0.000000000000000E+00
|
|
z1= 2 -0.121401337742398E-07 0.000000000000000E+00
|
|
z1= 3 -0.164353938011258E-09 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135715618926781E+02 read= 0.128031490998269E+02)
|
|
Weight for this step= 0.42353E+00 0.64754E+01
|
|
|
|
Lanczos iteration: 205 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000205)= 0.000000
|
|
beta (00000205)= 12.803149
|
|
gamma(00000205)= 12.803149
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128031490998269E+02 read= 0.134701245708157E+02)
|
|
Weight for this step=-0.27876E+00 -0.47694E+01
|
|
|
|
Lanczos iteration: 206 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000206)= 0.000000
|
|
beta (00000206)= 13.470125
|
|
gamma(00000206)= 13.470125
|
|
z1= 1 0.338426726321284E-02 0.000000000000000E+00
|
|
z1= 2 0.110185212274768E-07 0.000000000000000E+00
|
|
z1= 3 0.839268945166576E-09 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134701245708157E+02 read= 0.127384512072905E+02)
|
|
Weight for this step=-0.41575E+00 -0.63866E+01
|
|
|
|
Lanczos iteration: 207 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000207)= 0.000000
|
|
beta (00000207)= 12.738451
|
|
gamma(00000207)= 12.738451
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127384512072905E+02 read= 0.133202072572019E+02)
|
|
Weight for this step= 0.27391E+00 0.47151E+01
|
|
|
|
Lanczos iteration: 208 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000208)= 0.000000
|
|
beta (00000208)= 13.320207
|
|
gamma(00000208)= 13.320207
|
|
z1= 1 -0.323646040729275E-02 0.000000000000000E+00
|
|
z1= 2 -0.996608813443739E-08 0.000000000000000E+00
|
|
z1= 3 -0.151022217355443E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133202072572019E+02 read= 0.127498367765677E+02)
|
|
Weight for this step= 0.41070E+00 0.63394E+01
|
|
|
|
Lanczos iteration: 209 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000209)= 0.000000
|
|
beta (00000209)= 12.749837
|
|
gamma(00000209)= 12.749837
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127498367765677E+02 read= 0.134357073458386E+02)
|
|
Weight for this step=-0.26557E+00 -0.46006E+01
|
|
|
|
Lanczos iteration: 210 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000210)= 0.000000
|
|
beta (00000210)= 13.435707
|
|
gamma(00000210)= 13.435707
|
|
z1= 1 0.307124447300399E-02 0.000000000000000E+00
|
|
z1= 2 0.882585587892639E-08 0.000000000000000E+00
|
|
z1= 3 0.214694107766389E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134357073458386E+02 read= 0.127510613657805E+02)
|
|
Weight for this step=-0.40233E+00 -0.62400E+01
|
|
|
|
Lanczos iteration: 211 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000211)= 0.000000
|
|
beta (00000211)= 12.751061
|
|
gamma(00000211)= 12.751061
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127510613657805E+02 read= 0.135379745500045E+02)
|
|
Weight for this step= 0.25967E+00 0.45272E+01
|
|
|
|
Lanczos iteration: 212 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000212)= 0.000000
|
|
beta (00000212)= 13.537975
|
|
gamma(00000212)= 13.537975
|
|
z1= 1 -0.289272421069626E-02 0.000000000000000E+00
|
|
z1= 2 -0.761036521345140E-08 0.000000000000000E+00
|
|
z1= 3 -0.271664548566171E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135379745500045E+02 read= 0.126724332738380E+02)
|
|
Weight for this step= 0.39117E+00 0.60962E+01
|
|
|
|
Lanczos iteration: 213 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000213)= 0.000000
|
|
beta (00000213)= 12.672433
|
|
gamma(00000213)= 12.672433
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126724332738380E+02 read= 0.134393784525890E+02)
|
|
Weight for this step=-0.25768E+00 -0.45215E+01
|
|
|
|
Lanczos iteration: 214 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000214)= 0.000000
|
|
beta (00000214)= 13.439378
|
|
gamma(00000214)= 13.439378
|
|
z1= 1 0.272764508187525E-02 0.000000000000000E+00
|
|
z1= 2 0.636192366040671E-08 0.000000000000000E+00
|
|
z1= 3 0.329246470061675E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134393784525890E+02 read= 0.124793012442543E+02)
|
|
Weight for this step=-0.38106E+00 -0.59685E+01
|
|
|
|
Lanczos iteration: 215 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000215)= 0.000000
|
|
beta (00000215)= 12.479301
|
|
gamma(00000215)= 12.479301
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124793012442543E+02 read= 0.132194330457569E+02)
|
|
Weight for this step= 0.25799E+00 0.45562E+01
|
|
|
|
Lanczos iteration: 216 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000216)= 0.000000
|
|
beta (00000216)= 13.219433
|
|
gamma(00000216)= 13.219433
|
|
z1= 1 -0.257492923836512E-02 0.000000000000000E+00
|
|
z1= 2 -0.513350524036175E-08 0.000000000000000E+00
|
|
z1= 3 -0.390075948890909E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132194330457569E+02 read= 0.126442895536844E+02)
|
|
Weight for this step= 0.37215E+00 0.58600E+01
|
|
|
|
Lanczos iteration: 217 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000217)= 0.000000
|
|
beta (00000217)= 12.644290
|
|
gamma(00000217)= 12.644290
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126442895536844E+02 read= 0.136848608948190E+02)
|
|
Weight for this step=-0.25093E+00 -0.44601E+01
|
|
|
|
Lanczos iteration: 218 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000218)= 0.000000
|
|
beta (00000218)= 13.684861
|
|
gamma(00000218)= 13.684861
|
|
z1= 1 0.237913641361621E-02 0.000000000000000E+00
|
|
z1= 2 0.390358199995992E-08 0.000000000000000E+00
|
|
z1= 3 0.441746396547763E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136848608948190E+02 read= 0.125817538543511E+02)
|
|
Weight for this step=-0.35553E+00 -0.56278E+01
|
|
|
|
Lanczos iteration: 219 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000219)= 0.000000
|
|
beta (00000219)= 12.581754
|
|
gamma(00000219)= 12.581754
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125817538543511E+02 read= 0.135810869793845E+02)
|
|
Weight for this step= 0.25488E+00 0.45583E+01
|
|
|
|
Lanczos iteration: 220 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000220)= 0.000000
|
|
beta (00000220)= 13.581087
|
|
gamma(00000220)= 13.581087
|
|
z1= 1 -0.220407311929308E-02 0.000000000000000E+00
|
|
z1= 2 -0.272369633509510E-08 0.000000000000000E+00
|
|
z1= 3 -0.499214033712570E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135810869793845E+02 read= 0.125679492480151E+02)
|
|
Weight for this step= 0.34132E+00 0.54334E+01
|
|
|
|
Lanczos iteration: 221 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000221)= 0.000000
|
|
beta (00000221)= 12.567949
|
|
gamma(00000221)= 12.567949
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125679492480151E+02 read= 0.134924999129206E+02)
|
|
Weight for this step=-0.25808E+00 -0.46427E+01
|
|
|
|
Lanczos iteration: 222 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000222)= 0.000000
|
|
beta (00000222)= 13.492500
|
|
gamma(00000222)= 13.492500
|
|
z1= 1 0.205304274826511E-02 0.000000000000000E+00
|
|
z1= 2 0.151813237187545E-08 0.000000000000000E+00
|
|
z1= 3 0.561979303994068E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134924999129206E+02 read= 0.126096631025535E+02)
|
|
Weight for this step=-0.33011E+00 -0.52863E+01
|
|
|
|
Lanczos iteration: 223 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000223)= 0.000000
|
|
beta (00000223)= 12.609663
|
|
gamma(00000223)= 12.609663
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126096631025535E+02 read= 0.134279184882687E+02)
|
|
Weight for this step= 0.25943E+00 0.46933E+01
|
|
|
|
Lanczos iteration: 224 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000224)= 0.000000
|
|
beta (00000224)= 13.427918
|
|
gamma(00000224)= 13.427918
|
|
z1= 1 -0.192793673966522E-02 0.000000000000000E+00
|
|
z1= 2 -0.326631413539655E-09 0.000000000000000E+00
|
|
z1= 3 -0.628915390821433E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134279184882687E+02 read= 0.128963514004767E+02)
|
|
Weight for this step= 0.32229E+00 0.51930E+01
|
|
|
|
Lanczos iteration: 225 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000225)= 0.000000
|
|
beta (00000225)= 12.896351
|
|
gamma(00000225)= 12.896351
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128963514004767E+02 read= 0.133089828335426E+02)
|
|
Weight for this step=-0.25416E+00 -0.46232E+01
|
|
|
|
Lanczos iteration: 226 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000226)= 0.000000
|
|
beta (00000226)= 13.308983
|
|
gamma(00000226)= 13.308983
|
|
z1= 1 0.186816302820292E-02 0.000000000000000E+00
|
|
z1= 2 -0.774262427609418E-09 0.000000000000000E+00
|
|
z1= 3 0.712465926387034E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133089828335426E+02 read= 0.129317188314005E+02)
|
|
Weight for this step=-0.32445E+00 -0.52594E+01
|
|
|
|
Lanczos iteration: 227 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000227)= 0.000000
|
|
beta (00000227)= 12.931719
|
|
gamma(00000227)= 12.931719
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129317188314005E+02 read= 0.133727100180828E+02)
|
|
Weight for this step= 0.24556E+00 0.44918E+01
|
|
|
|
Lanczos iteration: 228 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000228)= 0.000000
|
|
beta (00000228)= 13.372710
|
|
gamma(00000228)= 13.372710
|
|
z1= 1 -0.180655670984188E-02 0.000000000000000E+00
|
|
z1= 2 0.186457192676188E-08 0.000000000000000E+00
|
|
z1= 3 -0.788526197641063E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133727100180828E+02 read= 0.127538493486555E+02)
|
|
Weight for this step= 0.32544E+00 0.53059E+01
|
|
|
|
Lanczos iteration: 229 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000229)= 0.000000
|
|
beta (00000229)= 12.753849
|
|
gamma(00000229)= 12.753849
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127538493486555E+02 read= 0.134836686225949E+02)
|
|
Weight for this step=-0.24119E+00 -0.44374E+01
|
|
|
|
Lanczos iteration: 230 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000230)= 0.000000
|
|
beta (00000230)= 13.483669
|
|
gamma(00000230)= 13.483669
|
|
z1= 1 0.170877472311322E-02 0.000000000000000E+00
|
|
z1= 2 -0.289388947820237E-08 0.000000000000000E+00
|
|
z1= 3 0.842835784435722E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134836686225949E+02 read= 0.130327076392894E+02)
|
|
Weight for this step=-0.31920E+00 -0.52341E+01
|
|
|
|
Lanczos iteration: 231 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000231)= 0.000000
|
|
beta (00000231)= 13.032708
|
|
gamma(00000231)= 13.032708
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130327076392894E+02 read= 0.136131495041415E+02)
|
|
Weight for this step= 0.23391E+00 0.43280E+01
|
|
|
|
Lanczos iteration: 232 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000232)= 0.000000
|
|
beta (00000232)= 13.613150
|
|
gamma(00000232)= 13.613150
|
|
z1= 1 -0.163591543462933E-02 0.000000000000000E+00
|
|
z1= 2 0.390573418279725E-08 0.000000000000000E+00
|
|
z1= 3 -0.899025747201415E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136131495041415E+02 read= 0.126973203506594E+02)
|
|
Weight for this step= 0.31652E+00 0.52191E+01
|
|
|
|
Lanczos iteration: 233 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000233)= 0.000000
|
|
beta (00000233)= 12.697320
|
|
gamma(00000233)= 12.697320
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126973203506594E+02 read= 0.133178358454970E+02)
|
|
Weight for this step=-0.23487E+00 -0.43711E+01
|
|
|
|
Lanczos iteration: 234 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000234)= 0.000000
|
|
beta (00000234)= 13.317836
|
|
gamma(00000234)= 13.317836
|
|
z1= 1 0.155969352536357E-02 0.000000000000000E+00
|
|
z1= 2 -0.495777860128402E-08 0.000000000000000E+00
|
|
z1= 3 0.943985619408999E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133178358454970E+02 read= 0.126050044137425E+02)
|
|
Weight for this step=-0.31299E+00 -0.51908E+01
|
|
|
|
Lanczos iteration: 235 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000235)= 0.000000
|
|
beta (00000235)= 12.605004
|
|
gamma(00000235)= 12.605004
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126050044137425E+02 read= 0.135249863002805E+02)
|
|
Weight for this step= 0.23231E+00 0.43487E+01
|
|
|
|
Lanczos iteration: 236 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000236)= 0.000000
|
|
beta (00000236)= 13.524986
|
|
gamma(00000236)= 13.524986
|
|
z1= 1 -0.145360175121836E-02 0.000000000000000E+00
|
|
z1= 2 0.582787762709938E-08 0.000000000000000E+00
|
|
z1= 3 -0.965155621697185E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135249863002805E+02 read= 0.128812763456987E+02)
|
|
Weight for this step= 0.30262E+00 0.50482E+01
|
|
|
|
Lanczos iteration: 237 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000237)= 0.000000
|
|
beta (00000237)= 12.881276
|
|
gamma(00000237)= 12.881276
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128812763456987E+02 read= 0.134905910014525E+02)
|
|
Weight for this step=-0.22893E+00 -0.43094E+01
|
|
|
|
Lanczos iteration: 238 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000238)= 0.000000
|
|
beta (00000238)= 13.490591
|
|
gamma(00000238)= 13.490591
|
|
z1= 1 0.138794852293860E-02 0.000000000000000E+00
|
|
z1= 2 -0.678697973949954E-08 0.000000000000000E+00
|
|
z1= 3 0.100729971341839E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134905910014525E+02 read= 0.127129385634210E+02)
|
|
Weight for this step=-0.29974E+00 -0.50293E+01
|
|
|
|
Lanczos iteration: 239 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000239)= 0.000000
|
|
beta (00000239)= 12.712939
|
|
gamma(00000239)= 12.712939
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127129385634210E+02 read= 0.133993943740035E+02)
|
|
Weight for this step= 0.22790E+00 0.43141E+01
|
|
|
|
Lanczos iteration: 240 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000240)= 0.000000
|
|
beta (00000240)= 13.399394
|
|
gamma(00000240)= 13.399394
|
|
z1= 1 -0.131684341909817E-02 0.000000000000000E+00
|
|
z1= 2 0.767596216016270E-08 0.000000000000000E+00
|
|
z1= 3 -0.104130706257406E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133993943740035E+02 read= 0.127356217506265E+02)
|
|
Weight for this step= 0.29520E+00 0.49824E+01
|
|
|
|
Lanczos iteration: 241 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000241)= 0.000000
|
|
beta (00000241)= 12.735622
|
|
gamma(00000241)= 12.735622
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127356217506265E+02 read= 0.134711660103368E+02)
|
|
Weight for this step=-0.22499E+00 -0.42828E+01
|
|
|
|
Lanczos iteration: 242 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000242)= 0.000000
|
|
beta (00000242)= 13.471166
|
|
gamma(00000242)= 13.471166
|
|
z1= 1 0.124494195064977E-02 0.000000000000000E+00
|
|
z1= 2 -0.857255657606137E-08 0.000000000000000E+00
|
|
z1= 3 0.106608227403815E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134711660103368E+02 read= 0.129201009150698E+02)
|
|
Weight for this step=-0.28970E+00 -0.49185E+01
|
|
|
|
Lanczos iteration: 243 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000243)= 0.000000
|
|
beta (00000243)= 12.920101
|
|
gamma(00000243)= 12.920101
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129201009150698E+02 read= 0.133682137252156E+02)
|
|
Weight for this step= 0.22029E+00 0.42162E+01
|
|
|
|
Lanczos iteration: 244 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000244)= 0.000000
|
|
beta (00000244)= 13.368214
|
|
gamma(00000244)= 13.368214
|
|
z1= 1 -0.120321053855224E-02 0.000000000000000E+00
|
|
z1= 2 0.973259184095659E-08 0.000000000000000E+00
|
|
z1= 3 -0.110449132036464E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133682137252156E+02 read= 0.124181875987381E+02)
|
|
Weight for this step= 0.29046E+00 0.49601E+01
|
|
|
|
Lanczos iteration: 245 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000245)= 0.000000
|
|
beta (00000245)= 12.418188
|
|
gamma(00000245)= 12.418188
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124181875987381E+02 read= 0.131260459150743E+02)
|
|
Weight for this step=-0.22223E+00 -0.42773E+01
|
|
|
|
Lanczos iteration: 246 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000246)= 0.000000
|
|
beta (00000246)= 13.126046
|
|
gamma(00000246)= 13.126046
|
|
z1= 1 0.113832408367245E-02 0.000000000000000E+00
|
|
z1= 2 -0.107979788274877E-07 0.000000000000000E+00
|
|
z1= 3 0.112034897610763E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131260459150743E+02 read= 0.126296697170294E+02)
|
|
Weight for this step=-0.28555E+00 -0.49060E+01
|
|
|
|
Lanczos iteration: 247 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000247)= 0.000000
|
|
beta (00000247)= 12.629670
|
|
gamma(00000247)= 12.629670
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126296697170294E+02 read= 0.133740147824246E+02)
|
|
Weight for this step= 0.21656E+00 0.41911E+01
|
|
|
|
Lanczos iteration: 248 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000248)= 0.000000
|
|
beta (00000248)= 13.374015
|
|
gamma(00000248)= 13.374015
|
|
z1= 1 -0.107496944198204E-02 0.000000000000000E+00
|
|
z1= 2 0.117683057825578E-07 0.000000000000000E+00
|
|
z1= 3 -0.112744584082137E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133740147824246E+02 read= 0.128349897706759E+02)
|
|
Weight for this step= 0.27994E+00 0.48381E+01
|
|
|
|
Lanczos iteration: 249 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000249)= 0.000000
|
|
beta (00000249)= 12.834990
|
|
gamma(00000249)= 12.834990
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128349897706759E+02 read= 0.133396548772373E+02)
|
|
Weight for this step=-0.21175E+00 -0.41204E+01
|
|
|
|
Lanczos iteration: 250 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000250)= 0.000000
|
|
beta (00000250)= 13.339655
|
|
gamma(00000250)= 13.339655
|
|
z1= 1 0.103430125581220E-02 0.000000000000000E+00
|
|
z1= 2 -0.130385759359447E-07 0.000000000000000E+00
|
|
z1= 3 0.114370973109930E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133396548772373E+02 read= 0.125114690147772E+02)
|
|
Weight for this step=-0.27943E+00 -0.48572E+01
|
|
|
|
Lanczos iteration: 251 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000251)= 0.000000
|
|
beta (00000251)= 12.511469
|
|
gamma(00000251)= 12.511469
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125114690147772E+02 read= 0.134706985844919E+02)
|
|
Weight for this step= 0.21154E+00 0.41389E+01
|
|
|
|
Lanczos iteration: 252 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000252)= 0.000000
|
|
beta (00000252)= 13.470699
|
|
gamma(00000252)= 13.470699
|
|
z1= 1 -0.960650112751899E-03 0.000000000000000E+00
|
|
z1= 2 0.140093034538442E-07 0.000000000000000E+00
|
|
z1= 3 -0.111917182451854E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134706985844919E+02 read= 0.129299024565185E+02)
|
|
Weight for this step= 0.26951E+00 0.47125E+01
|
|
|
|
Lanczos iteration: 253 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000253)= 0.000000
|
|
beta (00000253)= 12.929902
|
|
gamma(00000253)= 12.929902
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129299024565185E+02 read= 0.134317757052624E+02)
|
|
Weight for this step=-0.20710E+00 -0.40735E+01
|
|
|
|
Lanczos iteration: 254 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000254)= 0.000000
|
|
beta (00000254)= 13.431776
|
|
gamma(00000254)= 13.431776
|
|
z1= 1 0.924755782502973E-03 0.000000000000000E+00
|
|
z1= 2 -0.154763797164011E-07 0.000000000000000E+00
|
|
z1= 3 0.113676345717215E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134317757052624E+02 read= 0.129226031083813E+02)
|
|
Weight for this step=-0.26923E+00 -0.47350E+01
|
|
|
|
Lanczos iteration: 255 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000255)= 0.000000
|
|
beta (00000255)= 12.922603
|
|
gamma(00000255)= 12.922603
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129226031083813E+02 read= 0.136262849701935E+02)
|
|
Weight for this step= 0.20199E+00 0.39941E+01
|
|
|
|
Lanczos iteration: 256 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000256)= 0.000000
|
|
beta (00000256)= 13.626285
|
|
gamma(00000256)= 13.626285
|
|
z1= 1 -0.877000002246079E-03 0.000000000000000E+00
|
|
z1= 2 0.167900522270170E-07 0.000000000000000E+00
|
|
z1= 3 -0.114279709666730E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136262849701935E+02 read= 0.127118323302072E+02)
|
|
Weight for this step= 0.26474E+00 0.46823E+01
|
|
|
|
Lanczos iteration: 257 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000257)= 0.000000
|
|
beta (00000257)= 12.711832
|
|
gamma(00000257)= 12.711832
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127118323302072E+02 read= 0.135893026595611E+02)
|
|
Weight for this step=-0.20326E+00 -0.40403E+01
|
|
|
|
Lanczos iteration: 258 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000258)= 0.000000
|
|
beta (00000258)= 13.589303
|
|
gamma(00000258)= 13.589303
|
|
z1= 1 0.820371527622000E-03 0.000000000000000E+00
|
|
z1= 2 -0.180026388015703E-07 0.000000000000000E+00
|
|
z1= 3 0.113287956373742E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135893026595611E+02 read= 0.129840204698033E+02)
|
|
Weight for this step=-0.25713E+00 -0.45746E+01
|
|
|
|
Lanczos iteration: 259 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000259)= 0.000000
|
|
beta (00000259)= 12.984020
|
|
gamma(00000259)= 12.984020
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129840204698033E+02 read= 0.134565213845567E+02)
|
|
Weight for this step= 0.20012E+00 0.39980E+01
|
|
|
|
Lanczos iteration: 260 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000260)= 0.000000
|
|
beta (00000260)= 13.456521
|
|
gamma(00000260)= 13.456521
|
|
z1= 1 -0.791565695404081E-03 0.000000000000000E+00
|
|
z1= 2 0.197917285303661E-07 0.000000000000000E+00
|
|
z1= 3 -0.115572292846435E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134565213845567E+02 read= 0.127321148945304E+02)
|
|
Weight for this step= 0.25754E+00 0.46085E+01
|
|
|
|
Lanczos iteration: 261 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000261)= 0.000000
|
|
beta (00000261)= 12.732115
|
|
gamma(00000261)= 12.732115
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127321148945304E+02 read= 0.132943341779236E+02)
|
|
Weight for this step=-0.19863E+00 -0.39885E+01
|
|
|
|
Lanczos iteration: 262 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000262)= 0.000000
|
|
beta (00000262)= 13.294334
|
|
gamma(00000262)= 13.294334
|
|
z1= 1 0.758090269551651E-03 0.000000000000000E+00
|
|
z1= 2 -0.215482745570539E-07 0.000000000000000E+00
|
|
z1= 3 0.117432422538314E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132943341779236E+02 read= 0.126257997051795E+02)
|
|
Weight for this step=-0.25613E+00 -0.46100E+01
|
|
|
|
Lanczos iteration: 263 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000263)= 0.000000
|
|
beta (00000263)= 12.625800
|
|
gamma(00000263)= 12.625800
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126257997051795E+02 read= 0.132968878773438E+02)
|
|
Weight for this step= 0.19623E+00 0.39606E+01
|
|
|
|
Lanczos iteration: 264 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000264)= 0.000000
|
|
beta (00000264)= 13.296888
|
|
gamma(00000264)= 13.296888
|
|
z1= 1 -0.719829781983192E-03 0.000000000000000E+00
|
|
z1= 2 0.230909590693065E-07 0.000000000000000E+00
|
|
z1= 3 -0.118023897139274E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132968878773438E+02 read= 0.127924356989954E+02)
|
|
Weight for this step= 0.25257E+00 0.45723E+01
|
|
|
|
Lanczos iteration: 265 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000265)= 0.000000
|
|
beta (00000265)= 12.792436
|
|
gamma(00000265)= 12.792436
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127924356989954E+02 read= 0.134478983539541E+02)
|
|
Weight for this step=-0.19140E+00 -0.38828E+01
|
|
|
|
Lanczos iteration: 266 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000266)= 0.000000
|
|
beta (00000266)= 13.447898
|
|
gamma(00000266)= 13.447898
|
|
z1= 1 0.684744631307514E-03 0.000000000000000E+00
|
|
z1= 2 -0.245682232873773E-07 0.000000000000000E+00
|
|
z1= 3 0.118654349276709E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134478983539541E+02 read= 0.127800420826155E+02)
|
|
Weight for this step=-0.24929E+00 -0.45385E+01
|
|
|
|
Lanczos iteration: 267 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000267)= 0.000000
|
|
beta (00000267)= 12.780042
|
|
gamma(00000267)= 12.780042
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127800420826155E+02 read= 0.132773772644901E+02)
|
|
Weight for this step= 0.18899E+00 0.38533E+01
|
|
|
|
Lanczos iteration: 268 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000268)= 0.000000
|
|
beta (00000268)= 13.277377
|
|
gamma(00000268)= 13.277377
|
|
z1= 1 -0.659095921553591E-03 0.000000000000000E+00
|
|
z1= 2 0.264624583894840E-07 0.000000000000000E+00
|
|
z1= 3 -0.121250114515207E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132773772644901E+02 read= 0.127067696738703E+02)
|
|
Weight for this step= 0.24898E+00 0.45585E+01
|
|
|
|
Lanczos iteration: 269 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000269)= 0.000000
|
|
beta (00000269)= 12.706770
|
|
gamma(00000269)= 12.706770
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127067696738703E+02 read= 0.136891940776223E+02)
|
|
Weight for this step=-0.18501E+00 -0.37914E+01
|
|
|
|
Lanczos iteration: 270 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000270)= 0.000000
|
|
beta (00000270)= 13.689194
|
|
gamma(00000270)= 13.689194
|
|
z1= 1 0.611794969132494E-03 0.000000000000000E+00
|
|
z1= 2 -0.274617647753883E-07 0.000000000000000E+00
|
|
z1= 3 0.119361965551313E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136891940776223E+02 read= 0.128502549907009E+02)
|
|
Weight for this step=-0.23968E+00 -0.44126E+01
|
|
|
|
Lanczos iteration: 271 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000271)= 0.000000
|
|
beta (00000271)= 12.850255
|
|
gamma(00000271)= 12.850255
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128502549907009E+02 read= 0.132635800740495E+02)
|
|
Weight for this step= 0.18522E+00 0.38142E+01
|
|
|
|
Lanczos iteration: 272 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000272)= 0.000000
|
|
beta (00000272)= 13.263580
|
|
gamma(00000272)= 13.263580
|
|
z1= 1 -0.592729965174376E-03 0.000000000000000E+00
|
|
z1= 2 0.297735026737189E-07 0.000000000000000E+00
|
|
z1= 3 -0.122141025139290E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132635800740495E+02 read= 0.128484486058620E+02)
|
|
Weight for this step= 0.24106E+00 0.44634E+01
|
|
|
|
Lanczos iteration: 273 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000273)= 0.000000
|
|
beta (00000273)= 12.848449
|
|
gamma(00000273)= 12.848449
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128484486058620E+02 read= 0.134540856097169E+02)
|
|
Weight for this step=-0.17927E+00 -0.37100E+01
|
|
|
|
Lanczos iteration: 274 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000274)= 0.000000
|
|
beta (00000274)= 13.454086
|
|
gamma(00000274)= 13.454086
|
|
z1= 1 0.566048166751296E-03 0.000000000000000E+00
|
|
z1= 2 -0.315512546219740E-07 0.000000000000000E+00
|
|
z1= 3 0.123260912850229E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134540856097169E+02 read= 0.130272674621015E+02)
|
|
Weight for this step=-0.23866E+00 -0.44430E+01
|
|
|
|
Lanczos iteration: 275 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000275)= 0.000000
|
|
beta (00000275)= 13.027267
|
|
gamma(00000275)= 13.027267
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130272674621015E+02 read= 0.136199402383953E+02)
|
|
Weight for this step= 0.17350E+00 0.36083E+01
|
|
|
|
Lanczos iteration: 276 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000276)= 0.000000
|
|
beta (00000276)= 13.619940
|
|
gamma(00000276)= 13.619940
|
|
z1= 1 -0.541416536022080E-03 0.000000000000000E+00
|
|
z1= 2 0.332509116993812E-07 0.000000000000000E+00
|
|
z1= 3 -0.124661079351526E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136199402383953E+02 read= 0.125752613473402E+02)
|
|
Weight for this step= 0.23635E+00 0.44231E+01
|
|
|
|
Lanczos iteration: 277 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000277)= 0.000000
|
|
beta (00000277)= 12.575261
|
|
gamma(00000277)= 12.575261
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125752613473402E+02 read= 0.131840845467026E+02)
|
|
Weight for this step=-0.17596E+00 -0.36777E+01
|
|
|
|
Lanczos iteration: 278 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000278)= 0.000000
|
|
beta (00000278)= 13.184085
|
|
gamma(00000278)= 13.184085
|
|
z1= 1 0.516414652388704E-03 0.000000000000000E+00
|
|
z1= 2 -0.350247043347240E-07 0.000000000000000E+00
|
|
z1= 3 0.125871416421352E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131840845467026E+02 read= 0.125787312327469E+02)
|
|
Weight for this step=-0.23389E+00 -0.44015E+01
|
|
|
|
Lanczos iteration: 279 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000279)= 0.000000
|
|
beta (00000279)= 12.578731
|
|
gamma(00000279)= 12.578731
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125787312327469E+02 read= 0.135131576038752E+02)
|
|
Weight for this step= 0.17261E+00 0.36257E+01
|
|
|
|
Lanczos iteration: 280 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000280)= 0.000000
|
|
beta (00000280)= 13.513158
|
|
gamma(00000280)= 13.513158
|
|
z1= 1 -0.480704903137169E-03 0.000000000000000E+00
|
|
z1= 2 0.358610975194698E-07 0.000000000000000E+00
|
|
z1= 3 -0.124537672551204E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135131576038752E+02 read= 0.127676006672244E+02)
|
|
Weight for this step= 0.22581E+00 0.42727E+01
|
|
|
|
Lanczos iteration: 281 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000281)= 0.000000
|
|
beta (00000281)= 12.767601
|
|
gamma(00000281)= 12.767601
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127676006672244E+02 read= 0.132406541612229E+02)
|
|
Weight for this step=-0.17144E+00 -0.36183E+01
|
|
|
|
Lanczos iteration: 282 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000282)= 0.000000
|
|
beta (00000282)= 13.240654
|
|
gamma(00000282)= 13.240654
|
|
z1= 1 0.463530590505495E-03 0.000000000000000E+00
|
|
z1= 2 -0.379285141922231E-07 0.000000000000000E+00
|
|
z1= 3 0.127724688115717E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132406541612229E+02 read= 0.125823331908445E+02)
|
|
Weight for this step=-0.22594E+00 -0.42990E+01
|
|
|
|
Lanczos iteration: 283 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000283)= 0.000000
|
|
beta (00000283)= 12.582333
|
|
gamma(00000283)= 12.582333
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125823331908445E+02 read= 0.132299288636115E+02)
|
|
Weight for this step= 0.16900E+00 0.35839E+01
|
|
|
|
Lanczos iteration: 284 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000284)= 0.000000
|
|
beta (00000284)= 13.229929
|
|
gamma(00000284)= 13.229929
|
|
z1= 1 -0.440841095520127E-03 0.000000000000000E+00
|
|
z1= 2 0.394415391284653E-07 0.000000000000000E+00
|
|
z1= 3 -0.129295168418460E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132299288636115E+02 read= 0.127298152665471E+02)
|
|
Weight for this step= 0.22298E+00 0.42659E+01
|
|
|
|
Lanczos iteration: 285 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000285)= 0.000000
|
|
beta (00000285)= 12.729815
|
|
gamma(00000285)= 12.729815
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127298152665471E+02 read= 0.133770445649353E+02)
|
|
Weight for this step=-0.16451E+00 -0.35054E+01
|
|
|
|
Lanczos iteration: 286 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000286)= 0.000000
|
|
beta (00000286)= 13.377045
|
|
gamma(00000286)= 13.377045
|
|
z1= 1 0.419511625354228E-03 0.000000000000000E+00
|
|
z1= 2 -0.408618597499966E-07 0.000000000000000E+00
|
|
z1= 3 0.131096281550660E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133770445649353E+02 read= 0.124800867467972E+02)
|
|
Weight for this step=-0.21998E+00 -0.42310E+01
|
|
|
|
Lanczos iteration: 287 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000287)= 0.000000
|
|
beta (00000287)= 12.480087
|
|
gamma(00000287)= 12.480087
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124800867467972E+02 read= 0.132319591354542E+02)
|
|
Weight for this step= 0.16513E+00 0.35354E+01
|
|
|
|
Lanczos iteration: 288 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000288)= 0.000000
|
|
beta (00000288)= 13.231959
|
|
gamma(00000288)= 13.231959
|
|
z1= 1 -0.395673945340522E-03 0.000000000000000E+00
|
|
z1= 2 0.419192536481316E-07 0.000000000000000E+00
|
|
z1= 3 -0.131602128086516E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132319591354542E+02 read= 0.128276268834073E+02)
|
|
Weight for this step= 0.21538E+00 0.41655E+01
|
|
|
|
Lanczos iteration: 289 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000289)= 0.000000
|
|
beta (00000289)= 12.827627
|
|
gamma(00000289)= 12.827627
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128276268834073E+02 read= 0.134054606483445E+02)
|
|
Weight for this step=-0.15967E+00 -0.34342E+01
|
|
|
|
Lanczos iteration: 290 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000290)= 0.000000
|
|
beta (00000290)= 13.405461
|
|
gamma(00000290)= 13.405461
|
|
z1= 1 0.378618674244467E-03 0.000000000000000E+00
|
|
z1= 2 -0.432657056683231E-07 0.000000000000000E+00
|
|
z1= 3 0.134082642693574E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134054606483445E+02 read= 0.126828531675481E+02)
|
|
Weight for this step=-0.21364E+00 -0.41537E+01
|
|
|
|
Lanczos iteration: 291 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000291)= 0.000000
|
|
beta (00000291)= 12.682853
|
|
gamma(00000291)= 12.682853
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126828531675481E+02 read= 0.131662870234835E+02)
|
|
Weight for this step= 0.15807E+00 0.34155E+01
|
|
|
|
Lanczos iteration: 292 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000292)= 0.000000
|
|
beta (00000292)= 13.166287
|
|
gamma(00000292)= 13.166287
|
|
z1= 1 -0.364716722593736E-03 0.000000000000000E+00
|
|
z1= 2 0.447953968779613E-07 0.000000000000000E+00
|
|
z1= 3 -0.137399140346116E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131662870234835E+02 read= 0.127932698738776E+02)
|
|
Weight for this step= 0.21339E+00 0.41710E+01
|
|
|
|
Lanczos iteration: 293 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000293)= 0.000000
|
|
beta (00000293)= 12.793270
|
|
gamma(00000293)= 12.793270
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127932698738776E+02 read= 0.135779468284978E+02)
|
|
Weight for this step=-0.15209E+00 -0.33016E+01
|
|
|
|
Lanczos iteration: 294 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000294)= 0.000000
|
|
beta (00000294)= 13.577947
|
|
gamma(00000294)= 13.577947
|
|
z1= 1 0.343639544225021E-03 0.000000000000000E+00
|
|
z1= 2 -0.451598806501183E-07 0.000000000000000E+00
|
|
z1= 3 0.136813695578907E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135779468284978E+02 read= 0.129772294439410E+02)
|
|
Weight for this step=-0.20815E+00 -0.40891E+01
|
|
|
|
Lanczos iteration: 295 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000295)= 0.000000
|
|
beta (00000295)= 12.977229
|
|
gamma(00000295)= 12.977229
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129772294439410E+02 read= 0.134931423038591E+02)
|
|
Weight for this step= 0.14894E+00 0.32482E+01
|
|
|
|
Lanczos iteration: 296 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000296)= 0.000000
|
|
beta (00000296)= 13.493142
|
|
gamma(00000296)= 13.493142
|
|
z1= 1 -0.330500420954038E-03 0.000000000000000E+00
|
|
z1= 2 0.463845955221698E-07 0.000000000000000E+00
|
|
z1= 3 -0.138458005997932E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134931423038591E+02 read= 0.127195498608833E+02)
|
|
Weight for this step= 0.20717E+00 0.40904E+01
|
|
|
|
Lanczos iteration: 297 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000297)= 0.000000
|
|
beta (00000297)= 12.719550
|
|
gamma(00000297)= 12.719550
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127195498608833E+02 read= 0.134612914770116E+02)
|
|
Weight for this step=-0.14766E+00 -0.32352E+01
|
|
|
|
Lanczos iteration: 298 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000298)= 0.000000
|
|
beta (00000298)= 13.461291
|
|
gamma(00000298)= 13.461291
|
|
z1= 1 0.312289247324130E-03 0.000000000000000E+00
|
|
z1= 2 -0.467951776408210E-07 0.000000000000000E+00
|
|
z1= 3 0.136946669307100E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134612914770116E+02 read= 0.131129455908775E+02)
|
|
Weight for this step=-0.20270E+00 -0.40223E+01
|
|
|
|
Lanczos iteration: 299 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000299)= 0.000000
|
|
beta (00000299)= 13.112946
|
|
gamma(00000299)= 13.112946
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.131129455908775E+02 read= 0.135262038456548E+02)
|
|
Weight for this step= 0.14177E+00 0.31203E+01
|
|
|
|
Lanczos iteration: 300 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000300)= 0.000000
|
|
beta (00000300)= 13.526204
|
|
gamma(00000300)= 13.526204
|
|
z1= 1 -0.302748055219595E-03 0.000000000000000E+00
|
|
z1= 2 0.481631339368030E-07 0.000000000000000E+00
|
|
z1= 3 -0.137773604399225E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135262038456548E+02 read= 0.126145705219979E+02)
|
|
Weight for this step= 0.20314E+00 0.40504E+01
|
|
|
|
Lanczos iteration: 301 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000301)= 0.000000
|
|
beta (00000301)= 12.614571
|
|
gamma(00000301)= 12.614571
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126145705219979E+02 read= 0.132695099248093E+02)
|
|
Weight for this step=-0.14180E+00 -0.31356E+01
|
|
|
|
Lanczos iteration: 302 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000302)= 0.000000
|
|
beta (00000302)= 13.269510
|
|
gamma(00000302)= 13.269510
|
|
z1= 1 0.287805406123076E-03 0.000000000000000E+00
|
|
z1= 2 -0.486476346671372E-07 0.000000000000000E+00
|
|
z1= 3 0.135294389092325E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132695099248093E+02 read= 0.129169805221960E+02)
|
|
Weight for this step=-0.19987E+00 -0.40052E+01
|
|
|
|
Lanczos iteration: 303 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000303)= 0.000000
|
|
beta (00000303)= 12.916981
|
|
gamma(00000303)= 12.916981
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129169805221960E+02 read= 0.135072609909220E+02)
|
|
Weight for this step= 0.13585E+00 0.30182E+01
|
|
|
|
Lanczos iteration: 304 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000304)= 0.000000
|
|
beta (00000304)= 13.507261
|
|
gamma(00000304)= 13.507261
|
|
z1= 1 -0.275228029396304E-03 0.000000000000000E+00
|
|
z1= 2 0.492941296609609E-07 0.000000000000000E+00
|
|
z1= 3 -0.132307443284852E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135072609909220E+02 read= 0.128318073409305E+02)
|
|
Weight for this step= 0.19749E+00 0.39765E+01
|
|
|
|
Lanczos iteration: 305 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000305)= 0.000000
|
|
beta (00000305)= 12.831807
|
|
gamma(00000305)= 12.831807
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128318073409305E+02 read= 0.134115384616620E+02)
|
|
Weight for this step=-0.13323E+00 -0.29742E+01
|
|
|
|
Lanczos iteration: 306 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000306)= 0.000000
|
|
beta (00000306)= 13.411538
|
|
gamma(00000306)= 13.411538
|
|
z1= 1 0.263330941348066E-03 0.000000000000000E+00
|
|
z1= 2 -0.500088340902802E-07 0.000000000000000E+00
|
|
z1= 3 0.128233152971223E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134115384616620E+02 read= 0.128873145178565E+02)
|
|
Weight for this step=-0.19524E+00 -0.39498E+01
|
|
|
|
Lanczos iteration: 307 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000307)= 0.000000
|
|
beta (00000307)= 12.887315
|
|
gamma(00000307)= 12.887315
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128873145178565E+02 read= 0.135265239797941E+02)
|
|
Weight for this step= 0.12904E+00 0.28946E+01
|
|
|
|
Lanczos iteration: 308 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000308)= 0.000000
|
|
beta (00000308)= 13.526524
|
|
gamma(00000308)= 13.526524
|
|
z1= 1 -0.250886973512455E-03 0.000000000000000E+00
|
|
z1= 2 0.504016005042907E-07 0.000000000000000E+00
|
|
z1= 3 -0.122804014477740E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135265239797941E+02 read= 0.127039373965240E+02)
|
|
Weight for this step= 0.19204E+00 0.39032E+01
|
|
|
|
Lanczos iteration: 309 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000309)= 0.000000
|
|
beta (00000309)= 12.703937
|
|
gamma(00000309)= 12.703937
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127039373965240E+02 read= 0.133224844714193E+02)
|
|
Weight for this step=-0.12781E+00 -0.28808E+01
|
|
|
|
Lanczos iteration: 310 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000310)= 0.000000
|
|
beta (00000310)= 13.322484
|
|
gamma(00000310)= 13.322484
|
|
z1= 1 0.239238590365155E-03 0.000000000000000E+00
|
|
z1= 2 -0.508970845461074E-07 0.000000000000000E+00
|
|
z1= 3 0.116661749740275E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133224844714193E+02 read= 0.127643458124516E+02)
|
|
Weight for this step=-0.18919E+00 -0.38635E+01
|
|
|
|
Lanczos iteration: 311 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000311)= 0.000000
|
|
beta (00000311)= 12.764346
|
|
gamma(00000311)= 12.764346
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127643458124516E+02 read= 0.134820276874625E+02)
|
|
Weight for this step= 0.12400E+00 0.28087E+01
|
|
|
|
Lanczos iteration: 312 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000312)= 0.000000
|
|
beta (00000312)= 13.482028
|
|
gamma(00000312)= 13.482028
|
|
z1= 1 -0.226503325011146E-03 0.000000000000000E+00
|
|
z1= 2 0.509775101211613E-07 0.000000000000000E+00
|
|
z1= 3 -0.109358205470800E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134820276874625E+02 read= 0.127733859269322E+02)
|
|
Weight for this step= 0.18493E+00 0.37943E+01
|
|
|
|
Lanczos iteration: 313 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000313)= 0.000000
|
|
beta (00000313)= 12.773386
|
|
gamma(00000313)= 12.773386
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127733859269322E+02 read= 0.130558919119805E+02)
|
|
Weight for this step=-0.12170E+00 -0.27700E+01
|
|
|
|
Lanczos iteration: 314 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000314)= 0.000000
|
|
beta (00000314)= 13.055892
|
|
gamma(00000314)= 13.055892
|
|
z1= 1 0.221602201029594E-03 0.000000000000000E+00
|
|
z1= 2 -0.527608888991477E-07 0.000000000000000E+00
|
|
z1= 3 0.105650676041937E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130558919119805E+02 read= 0.126846157569136E+02)
|
|
Weight for this step=-0.18682E+00 -0.38510E+01
|
|
|
|
Lanczos iteration: 315 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000315)= 0.000000
|
|
beta (00000315)= 12.684616
|
|
gamma(00000315)= 12.684616
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126846157569136E+02 read= 0.133385038461658E+02)
|
|
Weight for this step= 0.11592E+00 0.26523E+01
|
|
|
|
Lanczos iteration: 316 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000316)= 0.000000
|
|
beta (00000316)= 13.338504
|
|
gamma(00000316)= 13.338504
|
|
z1= 1 -0.210738685789912E-03 0.000000000000000E+00
|
|
z1= 2 0.530462286501068E-07 0.000000000000000E+00
|
|
z1= 3 -0.988337081191679E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133385038461658E+02 read= 0.126406462344916E+02)
|
|
Weight for this step= 0.18315E+00 0.37924E+01
|
|
|
|
Lanczos iteration: 317 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000317)= 0.000000
|
|
beta (00000317)= 12.640646
|
|
gamma(00000317)= 12.640646
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126406462344916E+02 read= 0.134157702205229E+02)
|
|
Weight for this step=-0.11314E+00 -0.26024E+01
|
|
|
|
Lanczos iteration: 318 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000318)= 0.000000
|
|
beta (00000318)= 13.415770
|
|
gamma(00000318)= 13.415770
|
|
z1= 1 0.198562820561404E-03 0.000000000000000E+00
|
|
z1= 2 -0.529316860724272E-07 0.000000000000000E+00
|
|
z1= 3 0.910255527615360E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134157702205229E+02 read= 0.124743773531128E+02)
|
|
Weight for this step=-0.17790E+00 -0.37003E+01
|
|
|
|
Lanczos iteration: 319 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000319)= 0.000000
|
|
beta (00000319)= 12.474377
|
|
gamma(00000319)= 12.474377
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124743773531128E+02 read= 0.134649219192491E+02)
|
|
Weight for this step= 0.11264E+00 0.26046E+01
|
|
|
|
Lanczos iteration: 320 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000320)= 0.000000
|
|
beta (00000320)= 13.464922
|
|
gamma(00000320)= 13.464922
|
|
z1= 1 -0.183955582277736E-03 0.000000000000000E+00
|
|
z1= 2 0.521826104618595E-07 0.000000000000000E+00
|
|
z1= 3 -0.811106355919165E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134649219192491E+02 read= 0.128752650214719E+02)
|
|
Weight for this step= 0.17009E+00 0.35547E+01
|
|
|
|
Lanczos iteration: 321 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000321)= 0.000000
|
|
beta (00000321)= 12.875265
|
|
gamma(00000321)= 12.875265
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128752650214719E+02 read= 0.135078489129239E+02)
|
|
Weight for this step=-0.10942E+00 -0.25431E+01
|
|
|
|
Lanczos iteration: 322 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000322)= 0.000000
|
|
beta (00000322)= 13.507849
|
|
gamma(00000322)= 13.507849
|
|
z1= 1 0.175340788105608E-03 0.000000000000000E+00
|
|
z1= 2 -0.529006089029435E-07 0.000000000000000E+00
|
|
z1= 3 0.732605134873667E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135078489129239E+02 read= 0.126468198607564E+02)
|
|
Weight for this step=-0.16724E+00 -0.35115E+01
|
|
|
|
Lanczos iteration: 323 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000323)= 0.000000
|
|
beta (00000323)= 12.646820
|
|
gamma(00000323)= 12.646820
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126468198607564E+02 read= 0.133145135451073E+02)
|
|
Weight for this step= 0.10849E+00 0.25345E+01
|
|
|
|
Lanczos iteration: 324 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000324)= 0.000000
|
|
beta (00000324)= 13.314514
|
|
gamma(00000324)= 13.314514
|
|
z1= 1 -0.166547831725198E-03 0.000000000000000E+00
|
|
z1= 2 0.535807925796869E-07 0.000000000000000E+00
|
|
z1= 3 -0.652046718572011E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133145135451073E+02 read= 0.129826279638390E+02)
|
|
Weight for this step= 0.16400E+00 0.34600E+01
|
|
|
|
Lanczos iteration: 325 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000325)= 0.000000
|
|
beta (00000325)= 12.982628
|
|
gamma(00000325)= 12.982628
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129826279638390E+02 read= 0.135457314526135E+02)
|
|
Weight for this step=-0.10326E+00 -0.24248E+01
|
|
|
|
Lanczos iteration: 326 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000326)= 0.000000
|
|
beta (00000326)= 13.545731
|
|
gamma(00000326)= 13.545731
|
|
z1= 1 0.159624346978562E-03 0.000000000000000E+00
|
|
z1= 2 -0.546228023689047E-07 0.000000000000000E+00
|
|
z1= 3 0.581766597930141E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135457314526135E+02 read= 0.125540269939284E+02)
|
|
Weight for this step=-0.16199E+00 -0.34334E+01
|
|
|
|
Lanczos iteration: 327 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000327)= 0.000000
|
|
beta (00000327)= 12.554027
|
|
gamma(00000327)= 12.554027
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125540269939284E+02 read= 0.133774787626088E+02)
|
|
Weight for this step= 0.10325E+00 0.24373E+01
|
|
|
|
Lanczos iteration: 328 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000328)= 0.000000
|
|
beta (00000328)= 13.377479
|
|
gamma(00000328)= 13.377479
|
|
z1= 1 -0.149798657610786E-03 0.000000000000000E+00
|
|
z1= 2 0.548035220589854E-07 0.000000000000000E+00
|
|
z1= 3 -0.491400067891608E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133774787626088E+02 read= 0.129218504253740E+02)
|
|
Weight for this step= 0.15689E+00 0.33413E+01
|
|
|
|
Lanczos iteration: 329 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000329)= 0.000000
|
|
beta (00000329)= 12.921850
|
|
gamma(00000329)= 12.921850
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129218504253740E+02 read= 0.135128444981186E+02)
|
|
Weight for this step=-0.99201E-01 -0.23540E+01
|
|
|
|
Lanczos iteration: 330 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000330)= 0.000000
|
|
beta (00000330)= 13.512844
|
|
gamma(00000330)= 13.512844
|
|
z1= 1 0.143247104474302E-03 0.000000000000000E+00
|
|
z1= 2 -0.559629754846164E-07 0.000000000000000E+00
|
|
z1= 3 0.409291997841531E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135128444981186E+02 read= 0.126035127386771E+02)
|
|
Weight for this step=-0.15466E+00 -0.33092E+01
|
|
|
|
Lanczos iteration: 331 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000331)= 0.000000
|
|
beta (00000331)= 12.603513
|
|
gamma(00000331)= 12.603513
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126035127386771E+02 read= 0.134836413965242E+02)
|
|
Weight for this step= 0.98588E-01 0.23519E+01
|
|
|
|
Lanczos iteration: 332 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000332)= 0.000000
|
|
beta (00000332)= 13.483641
|
|
gamma(00000332)= 13.483641
|
|
z1= 1 -0.133896820074446E-03 0.000000000000000E+00
|
|
z1= 2 0.560554287137166E-07 0.000000000000000E+00
|
|
z1= 3 -0.318830901044061E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134836413965242E+02 read= 0.128291706580254E+02)
|
|
Weight for this step= 0.14918E+00 0.32074E+01
|
|
|
|
Lanczos iteration: 333 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000333)= 0.000000
|
|
beta (00000333)= 12.829171
|
|
gamma(00000333)= 12.829171
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128291706580254E+02 read= 0.133273119579506E+02)
|
|
Weight for this step=-0.96256E-01 -0.23082E+01
|
|
|
|
Lanczos iteration: 334 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000334)= 0.000000
|
|
beta (00000334)= 13.327312
|
|
gamma(00000334)= 13.327312
|
|
z1= 1 0.128892094723988E-03 0.000000000000000E+00
|
|
z1= 2 -0.578634124573374E-07 0.000000000000000E+00
|
|
z1= 3 0.240519506251153E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133273119579506E+02 read= 0.123414735521400E+02)
|
|
Weight for this step=-0.14815E+00 -0.32009E+01
|
|
|
|
Lanczos iteration: 335 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000335)= 0.000000
|
|
beta (00000335)= 12.341474
|
|
gamma(00000335)= 12.341474
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.123414735521400E+02 read= 0.133537917003566E+02)
|
|
Weight for this step= 0.96346E-01 0.23228E+01
|
|
|
|
Lanczos iteration: 336 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000336)= 0.000000
|
|
beta (00000336)= 13.353792
|
|
gamma(00000336)= 13.353792
|
|
z1= 1 -0.119121101617312E-03 0.000000000000000E+00
|
|
z1= 2 0.576464242100887E-07 0.000000000000000E+00
|
|
z1= 3 -0.146771736284817E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133537917003566E+02 read= 0.129498311824494E+02)
|
|
Weight for this step= 0.14147E+00 0.30721E+01
|
|
|
|
Lanczos iteration: 337 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000337)= 0.000000
|
|
beta (00000337)= 12.949831
|
|
gamma(00000337)= 12.949831
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129498311824494E+02 read= 0.133754698264463E+02)
|
|
Weight for this step=-0.92437E-01 -0.22400E+01
|
|
|
|
Lanczos iteration: 338 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000338)= 0.000000
|
|
beta (00000338)= 13.375470
|
|
gamma(00000338)= 13.375470
|
|
z1= 1 0.115330390350821E-03 0.000000000000000E+00
|
|
z1= 2 -0.599730657279904E-07 0.000000000000000E+00
|
|
z1= 3 0.589993073900298E-09 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133754698264463E+02 read= 0.126107078689344E+02)
|
|
Weight for this step=-0.14133E+00 -0.30840E+01
|
|
|
|
Lanczos iteration: 339 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000339)= 0.000000
|
|
beta (00000339)= 12.610708
|
|
gamma(00000339)= 12.610708
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126107078689344E+02 read= 0.132278613833350E+02)
|
|
Weight for this step= 0.90951E-01 0.22157E+01
|
|
|
|
Lanczos iteration: 340 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000340)= 0.000000
|
|
beta (00000340)= 13.227861
|
|
gamma(00000340)= 13.227861
|
|
z1= 1 -0.109949584364027E-03 0.000000000000000E+00
|
|
z1= 2 0.614751985751356E-07 0.000000000000000E+00
|
|
z1= 3 0.295658374247897E-09 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132278613833350E+02 read= 0.128947771944093E+02)
|
|
Weight for this step= 0.13907E+00 0.30498E+01
|
|
|
|
Lanczos iteration: 341 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000341)= 0.000000
|
|
beta (00000341)= 12.894777
|
|
gamma(00000341)= 12.894777
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128947771944093E+02 read= 0.135978058213993E+02)
|
|
Weight for this step=-0.86478E-01 -0.21181E+01
|
|
|
|
Lanczos iteration: 342 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000342)= 0.000000
|
|
beta (00000342)= 13.597806
|
|
gamma(00000342)= 13.597806
|
|
z1= 1 0.104265012430093E-03 0.000000000000000E+00
|
|
z1= 2 -0.623789605759192E-07 0.000000000000000E+00
|
|
z1= 3 -0.110523171018874E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135978058213993E+02 read= 0.127769938888332E+02)
|
|
Weight for this step=-0.13588E+00 -0.29941E+01
|
|
|
|
Lanczos iteration: 343 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000343)= 0.000000
|
|
beta (00000343)= 12.776994
|
|
gamma(00000343)= 12.776994
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127769938888332E+02 read= 0.136396216262781E+02)
|
|
Weight for this step= 0.85306E-01 0.21008E+01
|
|
|
|
Lanczos iteration: 344 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000344)= 0.000000
|
|
beta (00000344)= 13.639622
|
|
gamma(00000344)= 13.639622
|
|
z1= 1 -0.976708491729769E-04 0.000000000000000E+00
|
|
z1= 2 0.626336734022709E-07 0.000000000000000E+00
|
|
z1= 3 0.189514053113168E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136396216262781E+02 read= 0.128804167608982E+02)
|
|
Weight for this step= 0.13123E+00 0.29055E+01
|
|
|
|
Lanczos iteration: 345 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000345)= 0.000000
|
|
beta (00000345)= 12.880417
|
|
gamma(00000345)= 12.880417
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128804167608982E+02 read= 0.133110065333345E+02)
|
|
Weight for this step=-0.83890E-01 -0.20770E+01
|
|
|
|
Lanczos iteration: 346 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000346)= 0.000000
|
|
beta (00000346)= 13.311007
|
|
gamma(00000346)= 13.311007
|
|
z1= 1 0.945113534117090E-04 0.000000000000000E+00
|
|
z1= 2 -0.650167242656832E-07 0.000000000000000E+00
|
|
z1= 3 -0.274194847171361E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133110065333345E+02 read= 0.126338927438992E+02)
|
|
Weight for this step=-0.13095E+00 -0.29137E+01
|
|
|
|
Lanczos iteration: 347 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000347)= 0.000000
|
|
beta (00000347)= 12.633893
|
|
gamma(00000347)= 12.633893
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126338927438992E+02 read= 0.136146394840342E+02)
|
|
Weight for this step= 0.81832E-01 0.20373E+01
|
|
|
|
Lanczos iteration: 348 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000348)= 0.000000
|
|
beta (00000348)= 13.614639
|
|
gamma(00000348)= 13.614639
|
|
z1= 1 -0.877031157147162E-04 0.000000000000000E+00
|
|
z1= 2 0.647635879887695E-07 0.000000000000000E+00
|
|
z1= 3 0.346105558239097E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136146394840342E+02 read= 0.128926429987015E+02)
|
|
Weight for this step= 0.12531E+00 0.28018E+01
|
|
|
|
Lanczos iteration: 349 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000349)= 0.000000
|
|
beta (00000349)= 12.892643
|
|
gamma(00000349)= 12.892643
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128926429987015E+02 read= 0.132882928623582E+02)
|
|
Weight for this step=-0.80270E-01 -0.20091E+01
|
|
|
|
Lanczos iteration: 350 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000350)= 0.000000
|
|
beta (00000350)= 13.288293
|
|
gamma(00000350)= 13.288293
|
|
z1= 1 0.850918152161427E-04 0.000000000000000E+00
|
|
z1= 2 -0.674920568636498E-07 0.000000000000000E+00
|
|
z1= 3 -0.428336744811984E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132882928623582E+02 read= 0.126077851089233E+02)
|
|
Weight for this step=-0.12538E+00 -0.28173E+01
|
|
|
|
Lanczos iteration: 351 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000351)= 0.000000
|
|
beta (00000351)= 12.607785
|
|
gamma(00000351)= 12.607785
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126077851089233E+02 read= 0.135790866374546E+02)
|
|
Weight for this step= 0.78316E-01 0.19713E+01
|
|
|
|
Lanczos iteration: 352 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000352)= 0.000000
|
|
beta (00000352)= 13.579087
|
|
gamma(00000352)= 13.579087
|
|
z1= 1 -0.790052637129075E-04 0.000000000000000E+00
|
|
z1= 2 0.673159401867436E-07 0.000000000000000E+00
|
|
z1= 3 0.484894638825347E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135790866374546E+02 read= 0.128384407684650E+02)
|
|
Weight for this step= 0.12004E+00 0.27108E+01
|
|
|
|
Lanczos iteration: 353 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000353)= 0.000000
|
|
beta (00000353)= 12.838441
|
|
gamma(00000353)= 12.838441
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128384407684650E+02 read= 0.130965046716138E+02)
|
|
Weight for this step=-0.76925E-01 -0.19468E+01
|
|
|
|
Lanczos iteration: 354 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000354)= 0.000000
|
|
beta (00000354)= 13.096505
|
|
gamma(00000354)= 13.096505
|
|
z1= 1 0.774484814082856E-04 0.000000000000000E+00
|
|
z1= 2 -0.709492205225142E-07 0.000000000000000E+00
|
|
z1= 3 -0.571120873529385E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130965046716138E+02 read= 0.127349609684817E+02)
|
|
Weight for this step=-0.12137E+00 -0.27547E+01
|
|
|
|
Lanczos iteration: 355 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000355)= 0.000000
|
|
beta (00000355)= 12.734961
|
|
gamma(00000355)= 12.734961
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127349609684817E+02 read= 0.136026891804040E+02)
|
|
Weight for this step= 0.73086E-01 0.18605E+01
|
|
|
|
Lanczos iteration: 356 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000356)= 0.000000
|
|
beta (00000356)= 13.602689
|
|
gamma(00000356)= 13.602689
|
|
z1= 1 -0.725079706461827E-04 0.000000000000000E+00
|
|
z1= 2 0.711337760346087E-07 0.000000000000000E+00
|
|
z1= 3 0.624755779168916E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136026891804040E+02 read= 0.129608631489558E+02)
|
|
Weight for this step= 0.11701E+00 0.26685E+01
|
|
|
|
Lanczos iteration: 357 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000357)= 0.000000
|
|
beta (00000357)= 12.960863
|
|
gamma(00000357)= 12.960863
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129608631489558E+02 read= 0.134846159953697E+02)
|
|
Weight for this step=-0.71002E-01 -0.18178E+01
|
|
|
|
Lanczos iteration: 358 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000358)= 0.000000
|
|
beta (00000358)= 13.484616
|
|
gamma(00000358)= 13.484616
|
|
z1= 1 0.696917053532899E-04 0.000000000000000E+00
|
|
z1= 2 -0.731259084824900E-07 0.000000000000000E+00
|
|
z1= 3 -0.700195844656319E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134846159953697E+02 read= 0.129054139457586E+02)
|
|
Weight for this step=-0.11578E+00 -0.26531E+01
|
|
|
|
Lanczos iteration: 359 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000359)= 0.000000
|
|
beta (00000359)= 12.905414
|
|
gamma(00000359)= 12.905414
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129054139457586E+02 read= 0.136003495850025E+02)
|
|
Weight for this step= 0.68521E-01 0.17648E+01
|
|
|
|
Lanczos iteration: 360 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000360)= 0.000000
|
|
beta (00000360)= 13.600350
|
|
gamma(00000360)= 13.600350
|
|
z1= 1 -0.661306755791388E-04 0.000000000000000E+00
|
|
z1= 2 0.741839434115817E-07 0.000000000000000E+00
|
|
z1= 3 0.760071004377548E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136003495850025E+02 read= 0.123425055660910E+02)
|
|
Weight for this step= 0.11303E+00 0.26025E+01
|
|
|
|
Lanczos iteration: 361 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000361)= 0.000000
|
|
beta (00000361)= 12.342506
|
|
gamma(00000361)= 12.342506
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.123425055660910E+02 read= 0.136874026741230E+02)
|
|
Weight for this step=-0.69721E-01 -0.18066E+01
|
|
|
|
Lanczos iteration: 362 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000362)= 0.000000
|
|
beta (00000362)= 13.687403
|
|
gamma(00000362)= 13.687403
|
|
z1= 1 0.596328062274394E-04 0.000000000000000E+00
|
|
z1= 2 -0.720311850427161E-07 0.000000000000000E+00
|
|
z1= 3 -0.783517239061121E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136874026741230E+02 read= 0.127645168816443E+02)
|
|
Weight for this step=-0.10512E+00 -0.24332E+01
|
|
|
|
Lanczos iteration: 363 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000363)= 0.000000
|
|
beta (00000363)= 12.764517
|
|
gamma(00000363)= 12.764517
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127645168816443E+02 read= 0.133823962396575E+02)
|
|
Weight for this step= 0.69561E-01 0.18124E+01
|
|
|
|
Lanczos iteration: 364 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000364)= 0.000000
|
|
beta (00000364)= 13.382396
|
|
gamma(00000364)= 13.382396
|
|
z1= 1 -0.568794966280123E-04 0.000000000000000E+00
|
|
z1= 2 0.741470941135547E-07 0.000000000000000E+00
|
|
z1= 3 0.852204915159247E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133823962396575E+02 read= 0.120429025883633E+02)
|
|
Weight for this step= 0.10354E+00 0.24095E+01
|
|
|
|
Lanczos iteration: 365 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000365)= 0.000000
|
|
beta (00000365)= 12.042903
|
|
gamma(00000365)= 12.042903
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.120429025883633E+02 read= 0.132303515860647E+02)
|
|
Weight for this step=-0.71870E-01 -0.18831E+01
|
|
|
|
Lanczos iteration: 366 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000366)= 0.000000
|
|
beta (00000366)= 13.230352
|
|
gamma(00000366)= 13.230352
|
|
z1= 1 0.517744545720095E-04 0.000000000000000E+00
|
|
z1= 2 -0.733793682678764E-07 0.000000000000000E+00
|
|
z1= 3 -0.893644355642377E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132303515860647E+02 read= 0.127618736899934E+02)
|
|
Weight for this step=-0.97659E-01 -0.22864E+01
|
|
|
|
Lanczos iteration: 367 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000367)= 0.000000
|
|
beta (00000367)= 12.761874
|
|
gamma(00000367)= 12.761874
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127618736899934E+02 read= 0.134105194595755E+02)
|
|
Weight for this step= 0.69679E-01 0.18349E+01
|
|
|
|
Lanczos iteration: 368 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000368)= 0.000000
|
|
beta (00000368)= 13.410519
|
|
gamma(00000368)= 13.410519
|
|
z1= 1 -0.492702054984556E-04 0.000000000000000E+00
|
|
z1= 2 0.756590825124045E-07 0.000000000000000E+00
|
|
z1= 3 0.972089962191847E-08 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134105194595755E+02 read= 0.125135159999333E+02)
|
|
Weight for this step= 0.96200E-01 0.22654E+01
|
|
|
|
Lanczos iteration: 369 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000369)= 0.000000
|
|
beta (00000369)= 12.513516
|
|
gamma(00000369)= 12.513516
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125135159999333E+02 read= 0.136022609161422E+02)
|
|
Weight for this step=-0.69822E-01 -0.18479E+01
|
|
|
|
Lanczos iteration: 370 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000370)= 0.000000
|
|
beta (00000370)= 13.602261
|
|
gamma(00000370)= 13.602261
|
|
z1= 1 0.453265459781967E-04 0.000000000000000E+00
|
|
z1= 2 -0.755430032484735E-07 0.000000000000000E+00
|
|
z1= 3 -0.102102064009188E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136022609161422E+02 read= 0.127019085163238E+02)
|
|
Weight for this step=-0.91724E-01 -0.21730E+01
|
|
|
|
Lanczos iteration: 371 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000371)= 0.000000
|
|
beta (00000371)= 12.701909
|
|
gamma(00000371)= 12.701909
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127019085163238E+02 read= 0.134528563149133E+02)
|
|
Weight for this step= 0.70215E-01 0.18669E+01
|
|
|
|
Lanczos iteration: 372 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000372)= 0.000000
|
|
beta (00000372)= 13.452856
|
|
gamma(00000372)= 13.452856
|
|
z1= 1 -0.427963866481106E-04 0.000000000000000E+00
|
|
z1= 2 0.775477553454414E-07 0.000000000000000E+00
|
|
z1= 3 0.109756752686538E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134528563149133E+02 read= 0.129634435117676E+02)
|
|
Weight for this step= 0.89882E-01 0.21426E+01
|
|
|
|
Lanczos iteration: 373 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000373)= 0.000000
|
|
beta (00000373)= 12.963444
|
|
gamma(00000373)= 12.963444
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129634435117676E+02 read= 0.136432499506390E+02)
|
|
Weight for this step=-0.68493E-01 -0.18292E+01
|
|
|
|
Lanczos iteration: 374 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000374)= 0.000000
|
|
beta (00000374)= 13.643250
|
|
gamma(00000374)= 13.643250
|
|
z1= 1 0.406639578418126E-04 0.000000000000000E+00
|
|
z1= 2 -0.798916223855670E-07 0.000000000000000E+00
|
|
z1= 3 -0.117372673257325E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136432499506390E+02 read= 0.125885811101419E+02)
|
|
Weight for this step=-0.88555E-01 -0.21236E+01
|
|
|
|
Lanczos iteration: 375 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000375)= 0.000000
|
|
beta (00000375)= 12.588581
|
|
gamma(00000375)= 12.588581
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125885811101419E+02 read= 0.134156910692242E+02)
|
|
Weight for this step= 0.69795E-01 0.18720E+01
|
|
|
|
Lanczos iteration: 376 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000376)= 0.000000
|
|
beta (00000376)= 13.415691
|
|
gamma(00000376)= 13.415691
|
|
z1= 1 -0.381569260135758E-04 0.000000000000000E+00
|
|
z1= 2 0.816429214049990E-07 0.000000000000000E+00
|
|
z1= 3 0.124918366108259E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134156910692242E+02 read= 0.130903098943331E+02)
|
|
Weight for this step= 0.86362E-01 0.20840E+01
|
|
|
|
Lanczos iteration: 377 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000377)= 0.000000
|
|
beta (00000377)= 13.090310
|
|
gamma(00000377)= 13.090310
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130903098943331E+02 read= 0.133509450902155E+02)
|
|
Weight for this step=-0.67370E-01 -0.18143E+01
|
|
|
|
Lanczos iteration: 378 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000378)= 0.000000
|
|
beta (00000378)= 13.350945
|
|
gamma(00000378)= 13.350945
|
|
z1= 1 0.374120320888408E-04 0.000000000000000E+00
|
|
z1= 2 -0.867833521943622E-07 0.000000000000000E+00
|
|
z1= 3 -0.137690305682722E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133509450902155E+02 read= 0.125836862683157E+02)
|
|
Weight for this step=-0.87843E-01 -0.21323E+01
|
|
|
|
Lanczos iteration: 379 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000379)= 0.000000
|
|
beta (00000379)= 12.583686
|
|
gamma(00000379)= 12.583686
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125836862683157E+02 read= 0.136372490021824E+02)
|
|
Weight for this step= 0.67078E-01 0.18140E+01
|
|
|
|
Lanczos iteration: 380 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000380)= 0.000000
|
|
beta (00000380)= 13.637249
|
|
gamma(00000380)= 13.637249
|
|
z1= 1 -0.345217187417268E-04 0.000000000000000E+00
|
|
z1= 2 0.868497518741705E-07 0.000000000000000E+00
|
|
z1= 3 0.143042347527911E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136372490021824E+02 read= 0.129631689302279E+02)
|
|
Weight for this step= 0.84143E-01 0.20546E+01
|
|
|
|
Lanczos iteration: 381 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000381)= 0.000000
|
|
beta (00000381)= 12.963169
|
|
gamma(00000381)= 12.963169
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129631689302279E+02 read= 0.134562125032813E+02)
|
|
Weight for this step=-0.66476E-01 -0.18046E+01
|
|
|
|
Lanczos iteration: 382 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000382)= 0.000000
|
|
beta (00000382)= 13.456213
|
|
gamma(00000382)= 13.456213
|
|
z1= 1 0.332568225792362E-04 0.000000000000000E+00
|
|
z1= 2 -0.907091403121261E-07 0.000000000000000E+00
|
|
z1= 3 -0.155402898159985E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134562125032813E+02 read= 0.129501509478630E+02)
|
|
Weight for this step=-0.84160E-01 -0.20671E+01
|
|
|
|
Lanczos iteration: 383 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000383)= 0.000000
|
|
beta (00000383)= 12.950151
|
|
gamma(00000383)= 12.950151
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129501509478630E+02 read= 0.133928631532955E+02)
|
|
Weight for this step= 0.64979E-01 0.17706E+01
|
|
|
|
Lanczos iteration: 384 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000384)= 0.000000
|
|
beta (00000384)= 13.392863
|
|
gamma(00000384)= 13.392863
|
|
z1= 1 -0.321574907109932E-04 0.000000000000000E+00
|
|
z1= 2 0.947230440967797E-07 0.000000000000000E+00
|
|
z1= 3 0.167850770431779E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133928631532955E+02 read= 0.124489751059353E+02)
|
|
Weight for this step= 0.84422E-01 0.20853E+01
|
|
|
|
Lanczos iteration: 385 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000385)= 0.000000
|
|
beta (00000385)= 12.448975
|
|
gamma(00000385)= 12.448975
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124489751059353E+02 read= 0.132305372665461E+02)
|
|
Weight for this step=-0.65634E-01 -0.17952E+01
|
|
|
|
Lanczos iteration: 386 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000386)= 0.000000
|
|
beta (00000386)= 13.230537
|
|
gamma(00000386)= 13.230537
|
|
z1= 1 0.302578643077396E-04 0.000000000000000E+00
|
|
z1= 2 -0.964383915225131E-07 0.000000000000000E+00
|
|
z1= 3 -0.175963455310043E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132305372665461E+02 read= 0.129503045329557E+02)
|
|
Weight for this step=-0.82547E-01 -0.20510E+01
|
|
|
|
Lanczos iteration: 387 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000387)= 0.000000
|
|
beta (00000387)= 12.950305
|
|
gamma(00000387)= 12.950305
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129503045329557E+02 read= 0.131606463648634E+02)
|
|
Weight for this step= 0.63040E-01 0.17304E+01
|
|
|
|
Lanczos iteration: 388 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000388)= 0.000000
|
|
beta (00000388)= 13.160646
|
|
gamma(00000388)= 13.160646
|
|
z1= 1 -0.297742638496511E-04 0.000000000000000E+00
|
|
z1= 2 0.102086753942660E-06 0.000000000000000E+00
|
|
z1= 3 0.191023940835830E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131606463648634E+02 read= 0.127459852477086E+02)
|
|
Weight for this step= 0.84231E-01 0.21043E+01
|
|
|
|
Lanczos iteration: 389 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000389)= 0.000000
|
|
beta (00000389)= 12.745985
|
|
gamma(00000389)= 12.745985
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127459852477086E+02 read= 0.135465445299198E+02)
|
|
Weight for this step=-0.60930E-01 -0.16786E+01
|
|
|
|
Lanczos iteration: 390 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000390)= 0.000000
|
|
beta (00000390)= 13.546545
|
|
gamma(00000390)= 13.546545
|
|
z1= 1 0.280146960687268E-04 0.000000000000000E+00
|
|
z1= 2 -0.102927802191066E-06 0.000000000000000E+00
|
|
z1= 3 -0.196262799376061E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135465445299198E+02 read= 0.127423407150294E+02)
|
|
Weight for this step=-0.82074E-01 -0.20610E+01
|
|
|
|
Lanczos iteration: 391 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000391)= 0.000000
|
|
beta (00000391)= 12.742341
|
|
gamma(00000391)= 12.742341
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127423407150294E+02 read= 0.131646610697203E+02)
|
|
Weight for this step= 0.60721E-01 0.16786E+01
|
|
|
|
Lanczos iteration: 392 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000392)= 0.000000
|
|
beta (00000392)= 13.164661
|
|
gamma(00000392)= 13.164661
|
|
z1= 1 -0.271159888160849E-04 0.000000000000000E+00
|
|
z1= 2 0.106739395937206E-06 0.000000000000000E+00
|
|
z1= 3 0.206934250090258E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131646610697203E+02 read= 0.127533654992661E+02)
|
|
Weight for this step= 0.82333E-01 0.20784E+01
|
|
|
|
Lanczos iteration: 393 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000393)= 0.000000
|
|
beta (00000393)= 12.753365
|
|
gamma(00000393)= 12.753365
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127533654992661E+02 read= 0.133431719314568E+02)
|
|
Weight for this step=-0.58616E-01 -0.16261E+01
|
|
|
|
Lanczos iteration: 394 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000394)= 0.000000
|
|
beta (00000394)= 13.343172
|
|
gamma(00000394)= 13.343172
|
|
z1= 1 0.259173844135326E-04 0.000000000000000E+00
|
|
z1= 2 -0.108888273335278E-06 0.000000000000000E+00
|
|
z1= 3 -0.213691115127359E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133431719314568E+02 read= 0.126204028415378E+02)
|
|
Weight for this step=-0.81447E-01 -0.20663E+01
|
|
|
|
Lanczos iteration: 395 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000395)= 0.000000
|
|
beta (00000395)= 12.620403
|
|
gamma(00000395)= 12.620403
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126204028415378E+02 read= 0.132598275921385E+02)
|
|
Weight for this step= 0.57912E-01 0.16120E+01
|
|
|
|
Lanczos iteration: 396 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000396)= 0.000000
|
|
beta (00000396)= 13.259828
|
|
gamma(00000396)= 13.259828
|
|
z1= 1 -0.246675780377131E-04 0.000000000000000E+00
|
|
z1= 2 0.110468057184804E-06 0.000000000000000E+00
|
|
z1= 3 0.219380092443392E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132598275921385E+02 read= 0.126582332712277E+02)
|
|
Weight for this step= 0.80257E-01 0.20462E+01
|
|
|
|
Lanczos iteration: 397 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000397)= 0.000000
|
|
beta (00000397)= 12.658233
|
|
gamma(00000397)= 12.658233
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126582332712277E+02 read= 0.131394335329380E+02)
|
|
Weight for this step=-0.56676E-01 -0.15828E+01
|
|
|
|
Lanczos iteration: 398 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000398)= 0.000000
|
|
beta (00000398)= 13.139434
|
|
gamma(00000398)= 13.139434
|
|
z1= 1 0.237641871130697E-04 0.000000000000000E+00
|
|
z1= 2 -0.113184377138059E-06 0.000000000000000E+00
|
|
z1= 3 -0.227982970906707E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131394335329380E+02 read= 0.128986110425888E+02)
|
|
Weight for this step=-0.80021E-01 -0.20502E+01
|
|
|
|
Lanczos iteration: 399 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000399)= 0.000000
|
|
beta (00000399)= 12.898611
|
|
gamma(00000399)= 12.898611
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128986110425888E+02 read= 0.135970968807164E+02)
|
|
Weight for this step= 0.53832E-01 0.15083E+01
|
|
|
|
Lanczos iteration: 400 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000400)= 0.000000
|
|
beta (00000400)= 13.597097
|
|
gamma(00000400)= 13.597097
|
|
z1= 1 -0.225434156277370E-04 0.000000000000000E+00
|
|
z1= 2 0.113617728188199E-06 0.000000000000000E+00
|
|
z1= 3 0.231759022462021E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135970968807164E+02 read= 0.126893166716441E+02)
|
|
Weight for this step= 0.78391E-01 0.20175E+01
|
|
|
|
Lanczos iteration: 401 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000401)= 0.000000
|
|
beta (00000401)= 12.689317
|
|
gamma(00000401)= 12.689317
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126893166716441E+02 read= 0.133867822227018E+02)
|
|
Weight for this step=-0.53798E-01 -0.15121E+01
|
|
|
|
Lanczos iteration: 402 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000402)= 0.000000
|
|
beta (00000402)= 13.386782
|
|
gamma(00000402)= 13.386782
|
|
z1= 1 0.213688797651504E-04 0.000000000000000E+00
|
|
z1= 2 -0.114200322670838E-06 0.000000000000000E+00
|
|
z1= 3 -0.236490335543140E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133867822227018E+02 read= 0.129505026103124E+02)
|
|
Weight for this step=-0.76824E-01 -0.19863E+01
|
|
|
|
Lanczos iteration: 403 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000403)= 0.000000
|
|
beta (00000403)= 12.950503
|
|
gamma(00000403)= 12.950503
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129505026103124E+02 read= 0.131867079122015E+02)
|
|
Weight for this step= 0.51881E-01 0.14627E+01
|
|
|
|
Lanczos iteration: 404 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000404)= 0.000000
|
|
beta (00000404)= 13.186708
|
|
gamma(00000404)= 13.186708
|
|
z1= 1 -0.209861123047807E-04 0.000000000000000E+00
|
|
z1= 2 0.118566223101298E-06 0.000000000000000E+00
|
|
z1= 3 0.249587797458619E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131867079122015E+02 read= 0.128527375828689E+02)
|
|
Weight for this step= 0.77913E-01 0.20233E+01
|
|
|
|
Lanczos iteration: 405 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000405)= 0.000000
|
|
beta (00000405)= 12.852738
|
|
gamma(00000405)= 12.852738
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128527375828689E+02 read= 0.134822151916231E+02)
|
|
Weight for this step=-0.49418E-01 -0.13976E+01
|
|
|
|
Lanczos iteration: 406 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000406)= 0.000000
|
|
beta (00000406)= 13.482215
|
|
gamma(00000406)= 13.482215
|
|
z1= 1 0.200062816460844E-04 0.000000000000000E+00
|
|
z1= 2 -0.119132200875277E-06 0.000000000000000E+00
|
|
z1= 3 -0.254554554284859E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134822151916231E+02 read= 0.125109260815618E+02)
|
|
Weight for this step=-0.76571E-01 -0.19967E+01
|
|
|
|
Lanczos iteration: 407 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000407)= 0.000000
|
|
beta (00000407)= 12.510926
|
|
gamma(00000407)= 12.510926
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125109260815618E+02 read= 0.132889754667999E+02)
|
|
Weight for this step= 0.49408E-01 0.14016E+01
|
|
|
|
Lanczos iteration: 408 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000408)= 0.000000
|
|
beta (00000408)= 13.288975
|
|
gamma(00000408)= 13.288975
|
|
z1= 1 -0.188349441583892E-04 0.000000000000000E+00
|
|
z1= 2 0.118501904895155E-06 0.000000000000000E+00
|
|
z1= 3 0.257019680097756E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132889754667999E+02 read= 0.129695750095210E+02)
|
|
Weight for this step= 0.74416E-01 0.19489E+01
|
|
|
|
Lanczos iteration: 409 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000409)= 0.000000
|
|
beta (00000409)= 12.969575
|
|
gamma(00000409)= 12.969575
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129695750095210E+02 read= 0.132082382391450E+02)
|
|
Weight for this step=-0.47019E-01 -0.13378E+01
|
|
|
|
Lanczos iteration: 410 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000410)= 0.000000
|
|
beta (00000410)= 13.208238
|
|
gamma(00000410)= 13.208238
|
|
z1= 1 0.184946104573149E-04 0.000000000000000E+00
|
|
z1= 2 -0.122696878097949E-06 0.000000000000000E+00
|
|
z1= 3 -0.270102393099881E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132082382391450E+02 read= 0.131909652960782E+02)
|
|
Weight for this step=-0.75300E-01 -0.19800E+01
|
|
|
|
Lanczos iteration: 411 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000411)= 0.000000
|
|
beta (00000411)= 13.190965
|
|
gamma(00000411)= 13.190965
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.131909652960782E+02 read= 0.134101228099011E+02)
|
|
Weight for this step= 0.43494E-01 0.12413E+01
|
|
|
|
Lanczos iteration: 412 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000412)= 0.000000
|
|
beta (00000412)= 13.410123
|
|
gamma(00000412)= 13.410123
|
|
z1= 1 -0.181923587250542E-04 0.000000000000000E+00
|
|
z1= 2 0.126748873665369E-06 0.000000000000000E+00
|
|
z1= 3 0.282092902689876E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134101228099011E+02 read= 0.124829650806079E+02)
|
|
Weight for this step= 0.76100E-01 0.20082E+01
|
|
|
|
Lanczos iteration: 413 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000413)= 0.000000
|
|
beta (00000413)= 12.482965
|
|
gamma(00000413)= 12.482965
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124829650806079E+02 read= 0.136193732138207E+02)
|
|
Weight for this step=-0.42895E-01 -0.12282E+01
|
|
|
|
Lanczos iteration: 414 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000414)= 0.000000
|
|
beta (00000414)= 13.619373
|
|
gamma(00000414)= 13.619373
|
|
z1= 1 0.166743781179349E-04 0.000000000000000E+00
|
|
z1= 2 -0.122290312653444E-06 0.000000000000000E+00
|
|
z1= 3 -0.274339202454297E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136193732138207E+02 read= 0.130315991631963E+02)
|
|
Weight for this step=-0.71722E-01 -0.18997E+01
|
|
|
|
Lanczos iteration: 415 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000415)= 0.000000
|
|
beta (00000415)= 13.031599
|
|
gamma(00000415)= 13.031599
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130315991631963E+02 read= 0.132902437774091E+02)
|
|
Weight for this step= 0.41373E-01 0.11881E+01
|
|
|
|
Lanczos iteration: 416 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000416)= 0.000000
|
|
beta (00000416)= 13.290244
|
|
gamma(00000416)= 13.290244
|
|
z1= 1 -0.163498740554067E-04 0.000000000000000E+00
|
|
z1= 2 0.126137778547718E-06 0.000000000000000E+00
|
|
z1= 3 0.285204252703768E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132902437774091E+02 read= 0.129351085574840E+02)
|
|
Weight for this step= 0.72274E-01 0.19212E+01
|
|
|
|
Lanczos iteration: 417 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000417)= 0.000000
|
|
beta (00000417)= 12.935109
|
|
gamma(00000417)= 12.935109
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129351085574840E+02 read= 0.136343312504632E+02)
|
|
Weight for this step=-0.38999E-01 -0.11235E+01
|
|
|
|
Lanczos iteration: 418 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000418)= 0.000000
|
|
beta (00000418)= 13.634331
|
|
gamma(00000418)= 13.634331
|
|
z1= 1 0.155113875349531E-04 0.000000000000000E+00
|
|
z1= 2 -0.125575761171178E-06 0.000000000000000E+00
|
|
z1= 3 -0.285054864907256E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136343312504632E+02 read= 0.126251466240475E+02)
|
|
Weight for this step=-0.70358E-01 -0.18766E+01
|
|
|
|
Lanczos iteration: 419 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000419)= 0.000000
|
|
beta (00000419)= 12.625147
|
|
gamma(00000419)= 12.625147
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126251466240475E+02 read= 0.136810490641779E+02)
|
|
Weight for this step= 0.38617E-01 0.11160E+01
|
|
|
|
Lanczos iteration: 420 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000420)= 0.000000
|
|
beta (00000420)= 13.681049
|
|
gamma(00000420)= 13.681049
|
|
z1= 1 -0.143142196954247E-04 0.000000000000000E+00
|
|
z1= 2 0.121907793497987E-06 0.000000000000000E+00
|
|
z1= 3 0.277443948930485E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136810490641779E+02 read= 0.125441059858254E+02)
|
|
Weight for this step= 0.66694E-01 0.17852E+01
|
|
|
|
Lanczos iteration: 421 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000421)= 0.000000
|
|
beta (00000421)= 12.544106
|
|
gamma(00000421)= 12.544106
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125441059858254E+02 read= 0.131951723236032E+02)
|
|
Weight for this step=-0.38780E-01 -0.11240E+01
|
|
|
|
Lanczos iteration: 422 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000422)= 0.000000
|
|
beta (00000422)= 13.195172
|
|
gamma(00000422)= 13.195172
|
|
z1= 1 0.136079381577899E-04 0.000000000000000E+00
|
|
z1= 2 -0.122269495304731E-06 0.000000000000000E+00
|
|
z1= 3 -0.278810785246924E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131951723236032E+02 read= 0.129891930860389E+02)
|
|
Weight for this step=-0.65242E-01 -0.17529E+01
|
|
|
|
Lanczos iteration: 423 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000423)= 0.000000
|
|
beta (00000423)= 12.989193
|
|
gamma(00000423)= 12.989193
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129891930860389E+02 read= 0.132269060910042E+02)
|
|
Weight for this step= 0.36242E-01 0.10535E+01
|
|
|
|
Lanczos iteration: 424 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000424)= 0.000000
|
|
beta (00000424)= 13.226906
|
|
gamma(00000424)= 13.226906
|
|
z1= 1 -0.133633772717232E-04 0.000000000000000E+00
|
|
z1= 2 0.126226107550684E-06 0.000000000000000E+00
|
|
z1= 3 0.288396953123131E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132269060910042E+02 read= 0.126380826975838E+02)
|
|
Weight for this step= 0.65783E-01 0.17735E+01
|
|
|
|
Lanczos iteration: 425 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000425)= 0.000000
|
|
beta (00000425)= 12.638083
|
|
gamma(00000425)= 12.638083
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126380826975838E+02 read= 0.137856691204739E+02)
|
|
Weight for this step=-0.34663E-01 -0.10107E+01
|
|
|
|
Lanczos iteration: 426 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000426)= 0.000000
|
|
beta (00000426)= 13.785669
|
|
gamma(00000426)= 13.785669
|
|
z1= 1 0.122509444845150E-04 0.000000000000000E+00
|
|
z1= 2 -0.121602653182194E-06 0.000000000000000E+00
|
|
z1= 3 -0.278481052314885E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.137856691204739E+02 read= 0.124731082938248E+02)
|
|
Weight for this step=-0.61880E-01 -0.16739E+01
|
|
|
|
Lanczos iteration: 427 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000427)= 0.000000
|
|
beta (00000427)= 12.473108
|
|
gamma(00000427)= 12.473108
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124731082938248E+02 read= 0.135639016638334E+02)
|
|
Weight for this step= 0.35197E-01 0.10292E+01
|
|
|
|
Lanczos iteration: 428 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000428)= 0.000000
|
|
beta (00000428)= 13.563902
|
|
gamma(00000428)= 13.563902
|
|
z1= 1 -0.112657376204611E-04 0.000000000000000E+00
|
|
z1= 2 0.118176201514223E-06 0.000000000000000E+00
|
|
z1= 3 0.271310467911943E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135639016638334E+02 read= 0.125943533475711E+02)
|
|
Weight for this step= 0.58526E-01 0.15889E+01
|
|
|
|
Lanczos iteration: 429 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000429)= 0.000000
|
|
beta (00000429)= 12.594353
|
|
gamma(00000429)= 12.594353
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125943533475711E+02 read= 0.134056025753248E+02)
|
|
Weight for this step=-0.34991E-01 -0.10258E+01
|
|
|
|
Lanczos iteration: 430 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000430)= 0.000000
|
|
beta (00000430)= 13.405603
|
|
gamma(00000430)= 13.405603
|
|
z1= 1 0.105839837868209E-04 0.000000000000000E+00
|
|
z1= 2 -0.117681662073574E-06 0.000000000000000E+00
|
|
z1= 3 -0.270348396680343E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134056025753248E+02 read= 0.129984808365696E+02)
|
|
Weight for this step=-0.56617E-01 -0.15429E+01
|
|
|
|
Lanczos iteration: 431 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000431)= 0.000000
|
|
beta (00000431)= 12.998481
|
|
gamma(00000431)= 12.998481
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129984808365696E+02 read= 0.132942480094185E+02)
|
|
Weight for this step= 0.33355E-01 0.98028E+00
|
|
|
|
Lanczos iteration: 432 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000432)= 0.000000
|
|
beta (00000432)= 13.294248
|
|
gamma(00000432)= 13.294248
|
|
z1= 1 -0.103485139082392E-04 0.000000000000000E+00
|
|
z1= 2 0.121651937943362E-06 0.000000000000000E+00
|
|
z1= 3 0.280314723502865E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132942480094185E+02 read= 0.128232785579904E+02)
|
|
Weight for this step= 0.56926E-01 0.15568E+01
|
|
|
|
Lanczos iteration: 433 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000433)= 0.000000
|
|
beta (00000433)= 12.823279
|
|
gamma(00000433)= 12.823279
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128232785579904E+02 read= 0.138375293513517E+02)
|
|
Weight for this step=-0.31795E-01 -0.93680E+00
|
|
|
|
Lanczos iteration: 434 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000434)= 0.000000
|
|
beta (00000434)= 13.837529
|
|
gamma(00000434)= 13.837529
|
|
z1= 1 0.958999783373486E-05 0.000000000000000E+00
|
|
z1= 2 -0.118933797572593E-06 0.000000000000000E+00
|
|
z1= 3 -0.274291625192884E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.138375293513517E+02 read= 0.125393694815443E+02)
|
|
Weight for this step=-0.54190E-01 -0.14870E+01
|
|
|
|
Lanczos iteration: 435 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000435)= 0.000000
|
|
beta (00000435)= 12.539369
|
|
gamma(00000435)= 12.539369
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125393694815443E+02 read= 0.135245930384187E+02)
|
|
Weight for this step= 0.32377E-01 0.95616E+00
|
|
|
|
Lanczos iteration: 436 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000436)= 0.000000
|
|
beta (00000436)= 13.524593
|
|
gamma(00000436)= 13.524593
|
|
z1= 1 -0.889139701429689E-05 0.000000000000000E+00
|
|
z1= 2 0.116982706426308E-06 0.000000000000000E+00
|
|
z1= 3 0.269851692079066E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135245930384187E+02 read= 0.125083780992568E+02)
|
|
Weight for this step= 0.51738E-01 0.14250E+01
|
|
|
|
Lanczos iteration: 437 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000437)= 0.000000
|
|
beta (00000437)= 12.508378
|
|
gamma(00000437)= 12.508378
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125083780992568E+02 read= 0.130254588604424E+02)
|
|
Weight for this step=-0.32413E-01 -0.95926E+00
|
|
|
|
Lanczos iteration: 438 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000438)= 0.000000
|
|
beta (00000438)= 13.025459
|
|
gamma(00000438)= 13.025459
|
|
z1= 1 0.853842900078172E-05 0.000000000000000E+00
|
|
z1= 2 -0.119581383144565E-06 0.000000000000000E+00
|
|
z1= 3 -0.276718021216277E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130254588604424E+02 read= 0.129259426631783E+02)
|
|
Weight for this step=-0.51240E-01 -0.14166E+01
|
|
|
|
Lanczos iteration: 439 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000439)= 0.000000
|
|
beta (00000439)= 12.925943
|
|
gamma(00000439)= 12.925943
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129259426631783E+02 read= 0.130495256841010E+02)
|
|
Weight for this step= 0.30178E-01 0.89490E+00
|
|
|
|
Lanczos iteration: 440 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000440)= 0.000000
|
|
beta (00000440)= 13.049526
|
|
gamma(00000440)= 13.049526
|
|
z1= 1 -0.845756745239835E-05 0.000000000000000E+00
|
|
z1= 2 0.125494192681694E-06 0.000000000000000E+00
|
|
z1= 3 0.291978857230759E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130495256841010E+02 read= 0.127109461642209E+02)
|
|
Weight for this step= 0.52200E-01 0.14481E+01
|
|
|
|
Lanczos iteration: 441 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000441)= 0.000000
|
|
beta (00000441)= 12.710946
|
|
gamma(00000441)= 12.710946
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127109461642209E+02 read= 0.133984275685892E+02)
|
|
Weight for this step=-0.28407E-01 -0.84416E+00
|
|
|
|
Lanczos iteration: 442 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000442)= 0.000000
|
|
beta (00000442)= 13.398428
|
|
gamma(00000442)= 13.398428
|
|
z1= 1 0.802360456214016E-05 0.000000000000000E+00
|
|
z1= 2 -0.125885288470261E-06 0.000000000000000E+00
|
|
z1= 3 -0.295833045069324E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133984275685892E+02 read= 0.124959813659591E+02)
|
|
Weight for this step=-0.50846E-01 -0.14150E+01
|
|
|
|
Lanczos iteration: 443 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000443)= 0.000000
|
|
beta (00000443)= 12.495981
|
|
gamma(00000443)= 12.495981
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124959813659591E+02 read= 0.137615855155162E+02)
|
|
Weight for this step= 0.27908E-01 0.83099E+00
|
|
|
|
Lanczos iteration: 444 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000444)= 0.000000
|
|
beta (00000444)= 13.761586
|
|
gamma(00000444)= 13.761586
|
|
z1= 1 -0.728570214389261E-05 0.000000000000000E+00
|
|
z1= 2 0.121341849839730E-06 0.000000000000000E+00
|
|
z1= 3 0.288730342484170E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.137615855155162E+02 read= 0.127850218431418E+02)
|
|
Weight for this step= 0.47437E-01 0.13244E+01
|
|
|
|
Lanczos iteration: 445 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000445)= 0.000000
|
|
beta (00000445)= 12.785022
|
|
gamma(00000445)= 12.785022
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127850218431418E+02 read= 0.131942975260726E+02)
|
|
Weight for this step=-0.27715E-01 -0.82665E+00
|
|
|
|
Lanczos iteration: 446 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000446)= 0.000000
|
|
beta (00000446)= 13.194298
|
|
gamma(00000446)= 13.194298
|
|
z1= 1 0.705970597266641E-05 0.000000000000000E+00
|
|
z1= 2 -0.125283950819580E-06 0.000000000000000E+00
|
|
z1= 3 -0.302188931772772E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131942975260726E+02 read= 0.129449731849807E+02)
|
|
Weight for this step=-0.47278E-01 -0.13244E+01
|
|
|
|
Lanczos iteration: 447 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000447)= 0.000000
|
|
beta (00000447)= 12.944973
|
|
gamma(00000447)= 12.944973
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129449731849807E+02 read= 0.131267255038151E+02)
|
|
Weight for this step= 0.25960E-01 0.77560E+00
|
|
|
|
Lanczos iteration: 448 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000448)= 0.000000
|
|
beta (00000448)= 13.126726
|
|
gamma(00000448)= 13.126726
|
|
z1= 1 -0.696195745702012E-05 0.000000000000000E+00
|
|
z1= 2 0.131174708510248E-06 0.000000000000000E+00
|
|
z1= 3 0.320193575694371E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131267255038151E+02 read= 0.133118347997220E+02)
|
|
Weight for this step= 0.47859E-01 0.13447E+01
|
|
|
|
Lanczos iteration: 449 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000449)= 0.000000
|
|
beta (00000449)= 13.311835
|
|
gamma(00000449)= 13.311835
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.133118347997220E+02 read= 0.130958103536066E+02)
|
|
Weight for this step=-0.23347E-01 -0.69868E+00
|
|
|
|
Lanczos iteration: 450 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000450)= 0.000000
|
|
beta (00000450)= 13.095810
|
|
gamma(00000450)= 13.095810
|
|
z1= 1 0.707679975852846E-05 0.000000000000000E+00
|
|
z1= 2 -0.140609592559626E-06 0.000000000000000E+00
|
|
z1= 3 -0.345833148839101E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130958103536066E+02 read= 0.129286471132778E+02)
|
|
Weight for this step=-0.49762E-01 -0.14018E+01
|
|
|
|
Lanczos iteration: 451 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000451)= 0.000000
|
|
beta (00000451)= 12.928647
|
|
gamma(00000451)= 12.928647
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129286471132778E+02 read= 0.133239625286458E+02)
|
|
Weight for this step= 0.21238E-01 0.63674E+00
|
|
|
|
Lanczos iteration: 452 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000452)= 0.000000
|
|
beta (00000452)= 13.323963
|
|
gamma(00000452)= 13.323963
|
|
z1= 1 -0.686683458994350E-05 0.000000000000000E+00
|
|
z1= 2 0.143409742175277E-06 0.000000000000000E+00
|
|
z1= 3 0.354337179467117E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133239625286458E+02 read= 0.126053104211595E+02)
|
|
Weight for this step= 0.49281E-01 0.13915E+01
|
|
|
|
Lanczos iteration: 453 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000453)= 0.000000
|
|
beta (00000453)= 12.605310
|
|
gamma(00000453)= 12.605310
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126053104211595E+02 read= 0.135205222216854E+02)
|
|
Weight for this step=-0.20000E-01 -0.60077E+00
|
|
|
|
Lanczos iteration: 454 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000454)= 0.000000
|
|
beta (00000454)= 13.520522
|
|
gamma(00000454)= 13.520522
|
|
z1= 1 0.640201467040635E-05 0.000000000000000E+00
|
|
z1= 2 -0.140739666039391E-06 0.000000000000000E+00
|
|
z1= 3 -0.349258720599489E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135205222216854E+02 read= 0.125584778409311E+02)
|
|
Weight for this step=-0.46869E-01 -0.13264E+01
|
|
|
|
Lanczos iteration: 455 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000455)= 0.000000
|
|
beta (00000455)= 12.558478
|
|
gamma(00000455)= 12.558478
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125584778409311E+02 read= 0.137144544029858E+02)
|
|
Weight for this step= 0.19194E-01 0.57765E+00
|
|
|
|
Lanczos iteration: 456 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000456)= 0.000000
|
|
beta (00000456)= 13.714454
|
|
gamma(00000456)= 13.714454
|
|
z1= 1 -0.586239576223259E-05 0.000000000000000E+00
|
|
z1= 2 0.135945833430740E-06 0.000000000000000E+00
|
|
z1= 3 0.338111006458809E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.137144544029858E+02 read= 0.125700477970587E+02)
|
|
Weight for this step= 0.43793E-01 0.12422E+01
|
|
|
|
Lanczos iteration: 457 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000457)= 0.000000
|
|
beta (00000457)= 12.570048
|
|
gamma(00000457)= 12.570048
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125700477970587E+02 read= 0.136828376127735E+02)
|
|
Weight for this step=-0.18760E-01 -0.56555E+00
|
|
|
|
Lanczos iteration: 458 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000458)= 0.000000
|
|
beta (00000458)= 13.682838
|
|
gamma(00000458)= 13.682838
|
|
z1= 1 0.538562226780597E-05 0.000000000000000E+00
|
|
z1= 2 -0.132338299058815E-06 0.000000000000000E+00
|
|
z1= 3 -0.329280146393798E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136828376127735E+02 read= 0.127726162218808E+02)
|
|
Weight for this step=-0.41087E-01 -0.11682E+01
|
|
|
|
Lanczos iteration: 459 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000459)= 0.000000
|
|
beta (00000459)= 12.772616
|
|
gamma(00000459)= 12.772616
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127726162218808E+02 read= 0.134652027467798E+02)
|
|
Weight for this step= 0.18083E-01 0.54598E+00
|
|
|
|
Lanczos iteration: 460 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000460)= 0.000000
|
|
beta (00000460)= 13.465203
|
|
gamma(00000460)= 13.465203
|
|
z1= 1 -0.510861125775208E-05 0.000000000000000E+00
|
|
z1= 2 0.133323662247428E-06 0.000000000000000E+00
|
|
z1= 3 0.332410492855442E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134652027467798E+02 read= 0.125822578169976E+02)
|
|
Weight for this step= 0.39812E-01 0.11347E+01
|
|
|
|
Lanczos iteration: 461 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000461)= 0.000000
|
|
beta (00000461)= 12.582258
|
|
gamma(00000461)= 12.582258
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125822578169976E+02 read= 0.135412083596942E+02)
|
|
Weight for this step=-0.17370E-01 -0.52526E+00
|
|
|
|
Lanczos iteration: 462 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000462)= 0.000000
|
|
beta (00000462)= 13.541208
|
|
gamma(00000462)= 13.541208
|
|
z1= 1 0.474683368135477E-05 0.000000000000000E+00
|
|
z1= 2 -0.131811897802897E-06 0.000000000000000E+00
|
|
z1= 3 -0.330306197563824E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135412083596942E+02 read= 0.129565166089428E+02)
|
|
Weight for this step=-0.37794E-01 -0.10797E+01
|
|
|
|
Lanczos iteration: 463 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000463)= 0.000000
|
|
beta (00000463)= 12.956517
|
|
gamma(00000463)= 12.956517
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129565166089428E+02 read= 0.133022824542440E+02)
|
|
Weight for this step= 0.16328E-01 0.49441E+00
|
|
|
|
Lanczos iteration: 464 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000464)= 0.000000
|
|
beta (00000464)= 13.302282
|
|
gamma(00000464)= 13.302282
|
|
z1= 1 -0.462344936976930E-05 0.000000000000000E+00
|
|
z1= 2 0.136503129403998E-06 0.000000000000000E+00
|
|
z1= 3 0.343142083193498E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133022824542440E+02 read= 0.127540057762840E+02)
|
|
Weight for this step= 0.37578E-01 0.10760E+01
|
|
|
|
Lanczos iteration: 465 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000465)= 0.000000
|
|
beta (00000465)= 12.754006
|
|
gamma(00000465)= 12.754006
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127540057762840E+02 read= 0.134248993788459E+02)
|
|
Weight for this step=-0.15186E-01 -0.46044E+00
|
|
|
|
Lanczos iteration: 466 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000466)= 0.000000
|
|
beta (00000466)= 13.424899
|
|
gamma(00000466)= 13.424899
|
|
z1= 1 0.439239790939357E-05 0.000000000000000E+00
|
|
z1= 2 -0.137657314363410E-06 0.000000000000000E+00
|
|
z1= 3 -0.347314527575685E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134248993788459E+02 read= 0.129707466166406E+02)
|
|
Weight for this step=-0.36406E-01 -0.10447E+01
|
|
|
|
Lanczos iteration: 467 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000467)= 0.000000
|
|
beta (00000467)= 12.970747
|
|
gamma(00000467)= 12.970747
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129707466166406E+02 read= 0.134997089564702E+02)
|
|
Weight for this step= 0.13961E-01 0.42383E+00
|
|
|
|
Lanczos iteration: 468 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000468)= 0.000000
|
|
beta (00000468)= 13.499709
|
|
gamma(00000468)= 13.499709
|
|
z1= 1 -0.422028952647233E-05 0.000000000000000E+00
|
|
z1= 2 0.140056490056592E-06 0.000000000000000E+00
|
|
z1= 3 0.355186029348968E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134997089564702E+02 read= 0.128008469598575E+02)
|
|
Weight for this step= 0.35625E-01 0.10243E+01
|
|
|
|
Lanczos iteration: 469 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000469)= 0.000000
|
|
beta (00000469)= 12.800847
|
|
gamma(00000469)= 12.800847
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128008469598575E+02 read= 0.136522921791299E+02)
|
|
Weight for this step=-0.12981E-01 -0.39459E+00
|
|
|
|
Lanczos iteration: 470 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000470)= 0.000000
|
|
beta (00000470)= 13.652292
|
|
gamma(00000470)= 13.652292
|
|
z1= 1 0.395708498201076E-05 0.000000000000000E+00
|
|
z1= 2 -0.139066955060982E-06 0.000000000000000E+00
|
|
z1= 3 -0.354352099903965E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136522921791299E+02 read= 0.126518283120681E+02)
|
|
Weight for this step=-0.33997E-01 -0.97932E+00
|
|
|
|
Lanczos iteration: 471 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000471)= 0.000000
|
|
beta (00000471)= 12.651828
|
|
gamma(00000471)= 12.651828
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126518283120681E+02 read= 0.133890854477830E+02)
|
|
Weight for this step= 0.12326E-01 0.37512E+00
|
|
|
|
Lanczos iteration: 472 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000472)= 0.000000
|
|
beta (00000472)= 13.389085
|
|
gamma(00000472)= 13.389085
|
|
z1= 1 -0.373919189634170E-05 0.000000000000000E+00
|
|
z1= 2 0.139509570276294E-06 0.000000000000000E+00
|
|
z1= 3 0.356997296313425E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133890854477830E+02 read= 0.126707494161364E+02)
|
|
Weight for this step= 0.32700E-01 0.94373E+00
|
|
|
|
Lanczos iteration: 473 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000473)= 0.000000
|
|
beta (00000473)= 12.670749
|
|
gamma(00000473)= 12.670749
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126707494161364E+02 read= 0.135420900549652E+02)
|
|
Weight for this step=-0.11410E-01 -0.34763E+00
|
|
|
|
Lanczos iteration: 474 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000474)= 0.000000
|
|
beta (00000474)= 13.542090
|
|
gamma(00000474)= 13.542090
|
|
z1= 1 0.349860053672386E-05 0.000000000000000E+00
|
|
z1= 2 -0.138570937171026E-06 0.000000000000000E+00
|
|
z1= 3 -0.355994409095709E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135420900549652E+02 read= 0.126161391481892E+02)
|
|
Weight for this step=-0.31121E-01 -0.89981E+00
|
|
|
|
Lanczos iteration: 475 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000475)= 0.000000
|
|
beta (00000475)= 12.616139
|
|
gamma(00000475)= 12.616139
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126161391481892E+02 read= 0.133359913509940E+02)
|
|
Weight for this step= 0.10704E-01 0.32645E+00
|
|
|
|
Lanczos iteration: 476 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000476)= 0.000000
|
|
beta (00000476)= 13.335991
|
|
gamma(00000476)= 13.335991
|
|
z1= 1 -0.330975253588685E-05 0.000000000000000E+00
|
|
z1= 2 0.139444833047696E-06 0.000000000000000E+00
|
|
z1= 3 0.359276032680777E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133359913509940E+02 read= 0.126374437300546E+02)
|
|
Weight for this step= 0.29942E-01 0.86727E+00
|
|
|
|
Lanczos iteration: 477 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000477)= 0.000000
|
|
beta (00000477)= 12.637444
|
|
gamma(00000477)= 12.637444
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126374437300546E+02 read= 0.133207078844016E+02)
|
|
Weight for this step=-0.98132E-02 -0.29957E+00
|
|
|
|
Lanczos iteration: 478 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000478)= 0.000000
|
|
beta (00000478)= 13.320708
|
|
gamma(00000478)= 13.320708
|
|
z1= 1 0.313998413546852E-05 0.000000000000000E+00
|
|
z1= 2 -0.140765590923159E-06 0.000000000000000E+00
|
|
z1= 3 -0.363860967586473E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133207078844016E+02 read= 0.126761055312139E+02)
|
|
Weight for this step=-0.28866E-01 -0.83751E+00
|
|
|
|
Lanczos iteration: 479 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000479)= 0.000000
|
|
beta (00000479)= 12.676106
|
|
gamma(00000479)= 12.676106
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126761055312139E+02 read= 0.133734526953042E+02)
|
|
Weight for this step= 0.88876E-02 0.27156E+00
|
|
|
|
Lanczos iteration: 480 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000480)= 0.000000
|
|
beta (00000480)= 13.373453
|
|
gamma(00000480)= 13.373453
|
|
z1= 1 -0.297625236889056E-05 0.000000000000000E+00
|
|
z1= 2 0.141950117188427E-06 0.000000000000000E+00
|
|
z1= 3 0.367886782841635E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133734526953042E+02 read= 0.127109204573839E+02)
|
|
Weight for this step= 0.27776E-01 0.80713E+00
|
|
|
|
Lanczos iteration: 481 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000481)= 0.000000
|
|
beta (00000481)= 12.710920
|
|
gamma(00000481)= 12.710920
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127109204573839E+02 read= 0.134445816614914E+02)
|
|
Weight for this step=-0.79840E-02 -0.24414E+00
|
|
|
|
Lanczos iteration: 482 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000482)= 0.000000
|
|
beta (00000482)= 13.444582
|
|
gamma(00000482)= 13.444582
|
|
z1= 1 0.281384040588112E-05 0.000000000000000E+00
|
|
z1= 2 -0.142786062735586E-06 0.000000000000000E+00
|
|
z1= 3 -0.371056589016988E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134445816614914E+02 read= 0.128241339461214E+02)
|
|
Weight for this step=-0.26631E-01 -0.77497E+00
|
|
|
|
Lanczos iteration: 483 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000483)= 0.000000
|
|
beta (00000483)= 12.824134
|
|
gamma(00000483)= 12.824134
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128241339461214E+02 read= 0.135896229013209E+02)
|
|
Weight for this step= 0.70713E-02 0.21640E+00
|
|
|
|
Lanczos iteration: 484 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000484)= 0.000000
|
|
beta (00000484)= 13.589623
|
|
gamma(00000484)= 13.589623
|
|
z1= 1 -0.265533977859681E-05 0.000000000000000E+00
|
|
z1= 2 0.143267466879565E-06 0.000000000000000E+00
|
|
z1= 3 0.373127997032804E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135896229013209E+02 read= 0.125292726354245E+02)
|
|
Weight for this step= 0.25455E-01 0.74174E+00
|
|
|
|
Lanczos iteration: 485 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000485)= 0.000000
|
|
beta (00000485)= 12.529273
|
|
gamma(00000485)= 12.529273
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125292726354245E+02 read= 0.132017066518108E+02)
|
|
Weight for this step=-0.63990E-02 -0.19595E+00
|
|
|
|
Lanczos iteration: 486 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000486)= 0.000000
|
|
beta (00000486)= 13.201707
|
|
gamma(00000486)= 13.201707
|
|
z1= 1 0.252008902333145E-05 0.000000000000000E+00
|
|
z1= 2 -0.145094850990783E-06 0.000000000000000E+00
|
|
z1= 3 -0.378108516673175E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132017066518108E+02 read= 0.125190717670240E+02)
|
|
Weight for this step=-0.24461E-01 -0.71368E+00
|
|
|
|
Lanczos iteration: 487 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000487)= 0.000000
|
|
beta (00000487)= 12.519072
|
|
gamma(00000487)= 12.519072
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125190717670240E+02 read= 0.136058045833567E+02)
|
|
Weight for this step= 0.55259E-02 0.16932E+00
|
|
|
|
Lanczos iteration: 488 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000488)= 0.000000
|
|
beta (00000488)= 13.605805
|
|
gamma(00000488)= 13.605805
|
|
z1= 1 -0.231880262180134E-05 0.000000000000000E+00
|
|
z1= 2 0.142645135620123E-06 0.000000000000000E+00
|
|
z1= 3 0.371595766804692E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136058045833567E+02 read= 0.126614779945831E+02)
|
|
Weight for this step= 0.22761E-01 0.66482E+00
|
|
|
|
Lanczos iteration: 489 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000489)= 0.000000
|
|
beta (00000489)= 12.661478
|
|
gamma(00000489)= 12.661478
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126614779945831E+02 read= 0.132588298522786E+02)
|
|
Weight for this step=-0.48138E-02 -0.14758E+00
|
|
|
|
Lanczos iteration: 490 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000490)= 0.000000
|
|
beta (00000490)= 13.258830
|
|
gamma(00000490)= 13.258830
|
|
z1= 1 0.221433329288413E-05 0.000000000000000E+00
|
|
z1= 2 -0.145968803235558E-06 0.000000000000000E+00
|
|
z1= 3 -0.380483302385220E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132588298522786E+02 read= 0.126731198675339E+02)
|
|
Weight for this step=-0.21962E-01 -0.64215E+00
|
|
|
|
Lanczos iteration: 491 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000491)= 0.000000
|
|
beta (00000491)= 12.673120
|
|
gamma(00000491)= 12.673120
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126731198675339E+02 read= 0.134780085203084E+02)
|
|
Weight for this step= 0.39526E-02 0.12122E+00
|
|
|
|
Lanczos iteration: 492 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000492)= 0.000000
|
|
beta (00000492)= 13.478009
|
|
gamma(00000492)= 13.478009
|
|
z1= 1 -0.208209626830847E-05 0.000000000000000E+00
|
|
z1= 2 0.146988422315697E-06 0.000000000000000E+00
|
|
z1= 3 0.383538345963361E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134780085203084E+02 read= 0.126584951886701E+02)
|
|
Weight for this step= 0.20833E-01 0.60969E+00
|
|
|
|
Lanczos iteration: 493 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000493)= 0.000000
|
|
beta (00000493)= 12.658495
|
|
gamma(00000493)= 12.658495
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126584951886701E+02 read= 0.132004922757692E+02)
|
|
Weight for this step=-0.31793E-02 -0.97543E-01
|
|
|
|
Lanczos iteration: 494 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000494)= 0.000000
|
|
beta (00000494)= 13.200492
|
|
gamma(00000494)= 13.200492
|
|
z1= 1 0.199660778104445E-05 0.000000000000000E+00
|
|
z1= 2 -0.151139803275177E-06 0.000000000000000E+00
|
|
z1= 3 -0.395121837339736E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132004922757692E+02 read= 0.125805508839563E+02)
|
|
Weight for this step=-0.20128E-01 -0.58950E+00
|
|
|
|
Lanczos iteration: 495 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000495)= 0.000000
|
|
beta (00000495)= 12.580551
|
|
gamma(00000495)= 12.580551
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125805508839563E+02 read= 0.136146164803513E+02)
|
|
Weight for this step= 0.23355E-02 0.71674E-01
|
|
|
|
Lanczos iteration: 496 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000496)= 0.000000
|
|
beta (00000496)= 13.614616
|
|
gamma(00000496)= 13.614616
|
|
z1= 1 -0.184496021741554E-05 0.000000000000000E+00
|
|
z1= 2 0.149604894009517E-06 0.000000000000000E+00
|
|
z1= 3 0.392310741341830E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136146164803513E+02 read= 0.126903505930322E+02)
|
|
Weight for this step= 0.18706E-01 0.54817E+00
|
|
|
|
Lanczos iteration: 497 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000497)= 0.000000
|
|
beta (00000497)= 12.690351
|
|
gamma(00000497)= 12.690351
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126903505930322E+02 read= 0.133486784908238E+02)
|
|
Weight for this step=-0.15839E-02 -0.48617E-01
|
|
|
|
Lanczos iteration: 498 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000498)= 0.000000
|
|
beta (00000498)= 13.348678
|
|
gamma(00000498)= 13.348678
|
|
z1= 1 0.175397077708866E-05 0.000000000000000E+00
|
|
z1= 2 -0.152679262980290E-06 0.000000000000000E+00
|
|
z1= 3 -0.402083965599705E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133486784908238E+02 read= 0.127117092398330E+02)
|
|
Weight for this step=-0.17858E-01 -0.52352E+00
|
|
|
|
Lanczos iteration: 499 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000499)= 0.000000
|
|
beta (00000499)= 12.711709
|
|
gamma(00000499)= 12.711709
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127117092398330E+02 read= 0.134628586177987E+02)
|
|
Weight for this step= 0.78482E-03 0.24093E-01
|
|
|
|
Lanczos iteration: 500 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000500)= 0.000000
|
|
beta (00000500)= 13.462859
|
|
gamma(00000500)= 13.462859
|
|
z1= 1 -0.165610938679568E-05 0.000000000000000E+00
|
|
z1= 2 0.154790437280339E-06 0.000000000000000E+00
|
|
z1= 3 0.409031638352571E-07 0.000000000000000E+00
|
|
(calc= 0.134628586177987E+02 read= 0.134628586177987E+02)
|
|
Weight for this step= 0.16898E-01 0.49548E+00
|
|
|
|
Writing Cube file for response charge density
|
|
|
|
Writing Cube file for response charge density
|
|
|
|
|
|
Reading pre-calculated Lanczos coefficents from:
|
|
/scratch/timrov/WORK_Hubbard/Z_git/work2_QE_fork/q-e/tempdir/CH4.beta_gamma_z.2
|
|
|
|
|
|
|
|
500 steps succesfully read for polarization index 2
|
|
|
|
Calculating response coefficients
|
|
Resonance frequency mode enabled
|
|
Charge Response renormalization factor: 0.13460E+05 0.00000E+00
|
|
|
|
Starting Lanczos loop 2
|
|
|
|
Lanczos iteration: 1 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000001)= 0.000000
|
|
beta (00000001)= 1.985919
|
|
gamma(00000001)= 1.985919
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.198591876260066E+01 read= 0.268760448527110E+01)
|
|
Weight for this step=-0.17123E+01 -0.13460E+02
|
|
|
|
Lanczos iteration: 2 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000002)= 0.000000
|
|
beta (00000002)= 2.687604
|
|
gamma(00000002)= 2.687604
|
|
z1= 1 0.691806006300477E-07 0.000000000000000E+00
|
|
z1= 2 0.738917788493102E+00 0.000000000000000E+00
|
|
z1= 3 0.366065374094067E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.268760448527110E+01 read= 0.932138254123635E+01)
|
|
Weight for this step=-0.78413E+00 -0.32790E+01
|
|
|
|
Lanczos iteration: 3 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000003)= 0.000000
|
|
beta (00000003)= 9.321383
|
|
gamma(00000003)= 9.321383
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.932138254123635E+01 read= 0.144075819491128E+02)
|
|
Weight for this step= 0.43899E+00 0.36505E+01
|
|
|
|
Lanczos iteration: 4 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000004)= 0.000000
|
|
beta (00000004)= 14.407582
|
|
gamma(00000004)= 14.407582
|
|
z1= 1 -0.471390860087503E-07 0.000000000000000E+00
|
|
z1= 2 -0.478063244574688E+00 0.000000000000000E+00
|
|
z1= 3 -0.255895298783247E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.144075819491128E+02 read= 0.121612983530363E+02)
|
|
Weight for this step= 0.52700E+00 0.22873E+01
|
|
|
|
Lanczos iteration: 5 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000005)= 0.000000
|
|
beta (00000005)= 12.161298
|
|
gamma(00000005)= 12.161298
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.121612983530363E+02 read= 0.139780907653111E+02)
|
|
Weight for this step=-0.49190E+00 -0.42016E+01
|
|
|
|
Lanczos iteration: 6 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000006)= 0.000000
|
|
beta (00000006)= 13.978091
|
|
gamma(00000006)= 13.978091
|
|
z1= 1 0.438129894309025E-07 0.000000000000000E+00
|
|
z1= 2 0.415927314145174E+00 0.000000000000000E+00
|
|
z1= 3 0.246407312306574E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.139780907653111E+02 read= 0.124877601709679E+02)
|
|
Weight for this step=-0.48124E+00 -0.21868E+01
|
|
|
|
Lanczos iteration: 7 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000007)= 0.000000
|
|
beta (00000007)= 12.487760
|
|
gamma(00000007)= 12.487760
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124877601709679E+02 read= 0.136527874859140E+02)
|
|
Weight for this step= 0.52555E+00 0.45884E+01
|
|
|
|
Lanczos iteration: 8 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000008)= 0.000000
|
|
beta (00000008)= 13.652787
|
|
gamma(00000008)= 13.652787
|
|
z1= 1 -0.432884097387176E-07 0.000000000000000E+00
|
|
z1= 2 -0.380435171422584E+00 0.000000000000000E+00
|
|
z1= 3 -0.248936851384232E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136527874859140E+02 read= 0.126786779197644E+02)
|
|
Weight for this step= 0.46504E+00 0.22202E+01
|
|
|
|
Lanczos iteration: 9 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000009)= 0.000000
|
|
beta (00000009)= 12.678678
|
|
gamma(00000009)= 12.678678
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126786779197644E+02 read= 0.135311048272292E+02)
|
|
Weight for this step=-0.54210E+00 -0.48262E+01
|
|
|
|
Lanczos iteration: 10 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000010)= 0.000000
|
|
beta (00000010)= 13.531105
|
|
gamma(00000010)= 13.531105
|
|
z1= 1 0.438562814415039E-07 0.000000000000000E+00
|
|
z1= 2 0.356468674909008E+00 0.000000000000000E+00
|
|
z1= 3 0.257901538446037E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135311048272292E+02 read= 0.127668689858271E+02)
|
|
Weight for this step=-0.46161E+00 -0.23139E+01
|
|
|
|
Lanczos iteration: 11 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000011)= 0.000000
|
|
beta (00000011)= 12.766869
|
|
gamma(00000011)= 12.766869
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127668689858271E+02 read= 0.135128710204943E+02)
|
|
Weight for this step= 0.55106E+00 0.49965E+01
|
|
|
|
Lanczos iteration: 12 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000012)= 0.000000
|
|
beta (00000012)= 13.512871
|
|
gamma(00000012)= 13.512871
|
|
z1= 1 -0.446126474269726E-07 0.000000000000000E+00
|
|
z1= 2 -0.336789188856493E+00 0.000000000000000E+00
|
|
z1= 3 -0.272070292155939E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135128710204943E+02 read= 0.127836451217254E+02)
|
|
Weight for this step= 0.46245E+00 0.24282E+01
|
|
|
|
Lanczos iteration: 13 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000013)= 0.000000
|
|
beta (00000013)= 12.783645
|
|
gamma(00000013)= 12.783645
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127836451217254E+02 read= 0.135185629620338E+02)
|
|
Weight for this step=-0.55900E+00 -0.51571E+01
|
|
|
|
Lanczos iteration: 14 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000014)= 0.000000
|
|
beta (00000014)= 13.518563
|
|
gamma(00000014)= 13.518563
|
|
z1= 1 0.450555033395042E-07 0.000000000000000E+00
|
|
z1= 2 0.318480113845432E+00 0.000000000000000E+00
|
|
z1= 3 0.289777521732325E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135185629620338E+02 read= 0.127644793554961E+02)
|
|
Weight for this step=-0.46400E+00 -0.25460E+01
|
|
|
|
Lanczos iteration: 15 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000015)= 0.000000
|
|
beta (00000015)= 12.764479
|
|
gamma(00000015)= 12.764479
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127644793554961E+02 read= 0.135014879743530E+02)
|
|
Weight for this step= 0.56843E+00 0.53312E+01
|
|
|
|
Lanczos iteration: 16 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000016)= 0.000000
|
|
beta (00000016)= 13.501488
|
|
gamma(00000016)= 13.501488
|
|
z1= 1 -0.450883677807074E-07 0.000000000000000E+00
|
|
z1= 2 -0.301095171586884E+00 0.000000000000000E+00
|
|
z1= 3 -0.312716406518669E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135014879743530E+02 read= 0.127363096521866E+02)
|
|
Weight for this step= 0.46584E+00 0.26655E+01
|
|
|
|
Lanczos iteration: 17 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000017)= 0.000000
|
|
beta (00000017)= 12.736310
|
|
gamma(00000017)= 12.736310
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127363096521866E+02 read= 0.134713730490917E+02)
|
|
Weight for this step=-0.57885E+00 -0.55144E+01
|
|
|
|
Lanczos iteration: 18 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000018)= 0.000000
|
|
beta (00000018)= 13.471373
|
|
gamma(00000018)= 13.471373
|
|
z1= 1 0.449323729057038E-07 0.000000000000000E+00
|
|
z1= 2 0.284665959893922E+00 0.000000000000000E+00
|
|
z1= 3 0.340252399702633E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134713730490917E+02 read= 0.127317176135963E+02)
|
|
Weight for this step=-0.46813E+00 -0.27881E+01
|
|
|
|
Lanczos iteration: 19 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000019)= 0.000000
|
|
beta (00000019)= 12.731718
|
|
gamma(00000019)= 12.731718
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127317176135963E+02 read= 0.134608154144691E+02)
|
|
Weight for this step= 0.58863E+00 0.56914E+01
|
|
|
|
Lanczos iteration: 20 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000020)= 0.000000
|
|
beta (00000020)= 13.460815
|
|
gamma(00000020)= 13.460815
|
|
z1= 1 -0.445533860291003E-07 0.000000000000000E+00
|
|
z1= 2 -0.269247181836919E+00 0.000000000000000E+00
|
|
z1= 3 -0.371291758296871E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134608154144691E+02 read= 0.127588992230519E+02)
|
|
Weight for this step= 0.47098E+00 0.29139E+01
|
|
|
|
Lanczos iteration: 21 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000021)= 0.000000
|
|
beta (00000021)= 12.758899
|
|
gamma(00000021)= 12.758899
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127588992230519E+02 read= 0.134658181515822E+02)
|
|
Weight for this step=-0.59708E+00 -0.58550E+01
|
|
|
|
Lanczos iteration: 22 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000022)= 0.000000
|
|
beta (00000022)= 13.465818
|
|
gamma(00000022)= 13.465818
|
|
z1= 1 0.440973140745926E-07 0.000000000000000E+00
|
|
z1= 2 0.255112435091389E+00 0.000000000000000E+00
|
|
z1= 3 0.407507456317647E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134658181515822E+02 read= 0.127880150215968E+02)
|
|
Weight for this step=-0.47485E+00 -0.30456E+01
|
|
|
|
Lanczos iteration: 23 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000023)= 0.000000
|
|
beta (00000023)= 12.788015
|
|
gamma(00000023)= 12.788015
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127880150215968E+02 read= 0.134679769330692E+02)
|
|
Weight for this step= 0.60465E+00 0.60094E+01
|
|
|
|
Lanczos iteration: 24 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000024)= 0.000000
|
|
beta (00000024)= 13.467977
|
|
gamma(00000024)= 13.467977
|
|
z1= 1 -0.436314880839644E-07 0.000000000000000E+00
|
|
z1= 2 -0.242232494780594E+00 0.000000000000000E+00
|
|
z1= 3 -0.448741656175391E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134679769330692E+02 read= 0.128079111970732E+02)
|
|
Weight for this step= 0.47981E+00 0.31839E+01
|
|
|
|
Lanczos iteration: 25 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000025)= 0.000000
|
|
beta (00000025)= 12.807911
|
|
gamma(00000025)= 12.807911
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128079111970732E+02 read= 0.134598494427111E+02)
|
|
Weight for this step=-0.61154E+00 -0.61563E+01
|
|
|
|
Lanczos iteration: 26 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000026)= 0.000000
|
|
beta (00000026)= 13.459849
|
|
gamma(00000026)= 13.459849
|
|
z1= 1 0.431474587447855E-07 0.000000000000000E+00
|
|
z1= 2 0.230499776048789E+00 0.000000000000000E+00
|
|
z1= 3 0.491614638842676E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134598494427111E+02 read= 0.127912371083202E+02)
|
|
Weight for this step=-0.48586E+00 -0.33292E+01
|
|
|
|
Lanczos iteration: 27 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000027)= 0.000000
|
|
beta (00000027)= 12.791237
|
|
gamma(00000027)= 12.791237
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127912371083202E+02 read= 0.134161164897620E+02)
|
|
Weight for this step= 0.61890E+00 0.63077E+01
|
|
|
|
Lanczos iteration: 28 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000028)= 0.000000
|
|
beta (00000028)= 13.416116
|
|
gamma(00000028)= 13.416116
|
|
z1= 1 -0.427235071730203E-07 0.000000000000000E+00
|
|
z1= 2 -0.219763840833129E+00 0.000000000000000E+00
|
|
z1= 3 -0.533807838872446E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134161164897620E+02 read= 0.127721360146603E+02)
|
|
Weight for this step= 0.49296E+00 0.34819E+01
|
|
|
|
Lanczos iteration: 29 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000029)= 0.000000
|
|
beta (00000029)= 12.772136
|
|
gamma(00000029)= 12.772136
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127721360146603E+02 read= 0.134346365943409E+02)
|
|
Weight for this step=-0.62512E+00 -0.64472E+01
|
|
|
|
Lanczos iteration: 30 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000030)= 0.000000
|
|
beta (00000030)= 13.434637
|
|
gamma(00000030)= 13.434637
|
|
z1= 1 0.422178400216397E-07 0.000000000000000E+00
|
|
z1= 2 0.208926653617651E+00 0.000000000000000E+00
|
|
z1= 3 0.571899346396608E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134346365943409E+02 read= 0.128089256114011E+02)
|
|
Weight for this step=-0.49863E+00 -0.36244E+01
|
|
|
|
Lanczos iteration: 31 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000031)= 0.000000
|
|
beta (00000031)= 12.808926
|
|
gamma(00000031)= 12.808926
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128089256114011E+02 read= 0.134186058301076E+02)
|
|
Weight for this step= 0.63045E+00 0.65769E+01
|
|
|
|
Lanczos iteration: 32 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000032)= 0.000000
|
|
beta (00000032)= 13.418606
|
|
gamma(00000032)= 13.418606
|
|
z1= 1 -0.419910572311763E-07 0.000000000000000E+00
|
|
z1= 2 -0.199433979826948E+00 0.000000000000000E+00
|
|
z1= 3 -0.609180195965077E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134186058301076E+02 read= 0.127406573726427E+02)
|
|
Weight for this step= 0.50624E+00 0.37806E+01
|
|
|
|
Lanczos iteration: 33 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000033)= 0.000000
|
|
beta (00000033)= 12.740657
|
|
gamma(00000033)= 12.740657
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127406573726427E+02 read= 0.133781590074928E+02)
|
|
Weight for this step=-0.63829E+00 -0.67326E+01
|
|
|
|
Lanczos iteration: 34 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000034)= 0.000000
|
|
beta (00000034)= 13.378159
|
|
gamma(00000034)= 13.378159
|
|
z1= 1 0.417586516693672E-07 0.000000000000000E+00
|
|
z1= 2 0.189930468311416E+00 0.000000000000000E+00
|
|
z1= 3 0.642303670718046E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133781590074928E+02 read= 0.127882793455008E+02)
|
|
Weight for this step=-0.51284E+00 -0.39299E+01
|
|
|
|
Lanczos iteration: 35 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000035)= 0.000000
|
|
beta (00000035)= 12.788279
|
|
gamma(00000035)= 12.788279
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127882793455008E+02 read= 0.134421010156474E+02)
|
|
Weight for this step= 0.64179E+00 0.68420E+01
|
|
|
|
Lanczos iteration: 36 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000036)= 0.000000
|
|
beta (00000036)= 13.442101
|
|
gamma(00000036)= 13.442101
|
|
z1= 1 -0.415114325890906E-07 0.000000000000000E+00
|
|
z1= 2 -0.180692280333321E+00 0.000000000000000E+00
|
|
z1= 3 -0.671510489608533E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134421010156474E+02 read= 0.127825837678069E+02)
|
|
Weight for this step= 0.51864E+00 0.40720E+01
|
|
|
|
Lanczos iteration: 37 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000037)= 0.000000
|
|
beta (00000037)= 12.782584
|
|
gamma(00000037)= 12.782584
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127825837678069E+02 read= 0.133871371997965E+02)
|
|
Weight for this step=-0.64866E+00 -0.69864E+01
|
|
|
|
Lanczos iteration: 38 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000038)= 0.000000
|
|
beta (00000038)= 13.387137
|
|
gamma(00000038)= 13.387137
|
|
z1= 1 0.414155298354701E-07 0.000000000000000E+00
|
|
z1= 2 0.172532347662189E+00 0.000000000000000E+00
|
|
z1= 3 0.700879479882113E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133871371997965E+02 read= 0.127373114867012E+02)
|
|
Weight for this step=-0.52642E+00 -0.42298E+01
|
|
|
|
Lanczos iteration: 39 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000039)= 0.000000
|
|
beta (00000039)= 12.737311
|
|
gamma(00000039)= 12.737311
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127373114867012E+02 read= 0.133334553602816E+02)
|
|
Weight for this step= 0.65503E+00 0.71254E+01
|
|
|
|
Lanczos iteration: 40 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000040)= 0.000000
|
|
beta (00000040)= 13.333455
|
|
gamma(00000040)= 13.333455
|
|
z1= 1 -0.413193437026269E-07 0.000000000000000E+00
|
|
z1= 2 -0.164818360606768E+00 0.000000000000000E+00
|
|
z1= 3 -0.728895294974195E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133334553602816E+02 read= 0.126896401445986E+02)
|
|
Weight for this step= 0.53450E+00 0.43906E+01
|
|
|
|
Lanczos iteration: 41 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000041)= 0.000000
|
|
beta (00000041)= 12.689640
|
|
gamma(00000041)= 12.689640
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126896401445986E+02 read= 0.133576094164670E+02)
|
|
Weight for this step=-0.66104E+00 -0.72604E+01
|
|
|
|
Lanczos iteration: 42 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000042)= 0.000000
|
|
beta (00000042)= 13.357609
|
|
gamma(00000042)= 13.357609
|
|
z1= 1 0.409669925448275E-07 0.000000000000000E+00
|
|
z1= 2 0.156576346868192E+00 0.000000000000000E+00
|
|
z1= 3 0.751900035072736E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133576094164670E+02 read= 0.127519609572843E+02)
|
|
Weight for this step=-0.53963E+00 -0.45268E+01
|
|
|
|
Lanczos iteration: 43 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000043)= 0.000000
|
|
beta (00000043)= 12.751961
|
|
gamma(00000043)= 12.751961
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127519609572843E+02 read= 0.133754396876729E+02)
|
|
Weight for this step= 0.66509E+00 0.73728E+01
|
|
|
|
Lanczos iteration: 44 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000044)= 0.000000
|
|
beta (00000044)= 13.375440
|
|
gamma(00000044)= 13.375440
|
|
z1= 1 -0.407097144640434E-07 0.000000000000000E+00
|
|
z1= 2 -0.149277744038393E+00 0.000000000000000E+00
|
|
z1= 3 -0.777470138936878E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133754396876729E+02 read= 0.127762550890163E+02)
|
|
Weight for this step= 0.54647E+00 0.46767E+01
|
|
|
|
Lanczos iteration: 45 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000045)= 0.000000
|
|
beta (00000045)= 12.776255
|
|
gamma(00000045)= 12.776255
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127762550890163E+02 read= 0.134084256661084E+02)
|
|
Weight for this step=-0.66864E+00 -0.74789E+01
|
|
|
|
Lanczos iteration: 46 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000046)= 0.000000
|
|
beta (00000046)= 13.408426
|
|
gamma(00000046)= 13.408426
|
|
z1= 1 0.403947039281580E-07 0.000000000000000E+00
|
|
z1= 2 0.142239706915639E+00 0.000000000000000E+00
|
|
z1= 3 0.803311861121304E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134084256661084E+02 read= 0.127357550057609E+02)
|
|
Weight for this step=-0.55279E+00 -0.48214E+01
|
|
|
|
Lanczos iteration: 47 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000047)= 0.000000
|
|
beta (00000047)= 12.735755
|
|
gamma(00000047)= 12.735755
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127357550057609E+02 read= 0.134095547307824E+02)
|
|
Weight for this step= 0.67593E+00 0.76261E+01
|
|
|
|
Lanczos iteration: 48 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000048)= 0.000000
|
|
beta (00000048)= 13.409555
|
|
gamma(00000048)= 13.409555
|
|
z1= 1 -0.399690965966620E-07 0.000000000000000E+00
|
|
z1= 2 -0.135092484108390E+00 0.000000000000000E+00
|
|
z1= 3 -0.827962574362785E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134095547307824E+02 read= 0.128520033868458E+02)
|
|
Weight for this step= 0.55744E+00 0.49514E+01
|
|
|
|
Lanczos iteration: 49 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000049)= 0.000000
|
|
beta (00000049)= 12.852003
|
|
gamma(00000049)= 12.852003
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128520033868458E+02 read= 0.133720386716934E+02)
|
|
Weight for this step=-0.67724E+00 -0.77047E+01
|
|
|
|
Lanczos iteration: 50 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000050)= 0.000000
|
|
beta (00000050)= 13.372039
|
|
gamma(00000050)= 13.372039
|
|
z1= 1 0.399638423386958E-07 0.000000000000000E+00
|
|
z1= 2 0.129838770730879E+00 0.000000000000000E+00
|
|
z1= 3 0.862174638909148E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133720386716934E+02 read= 0.126611462643604E+02)
|
|
Weight for this step=-0.56834E+00 -0.51361E+01
|
|
|
|
Lanczos iteration: 51 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000051)= 0.000000
|
|
beta (00000051)= 12.661146
|
|
gamma(00000051)= 12.661146
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126611462643604E+02 read= 0.133321223817444E+02)
|
|
Weight for this step= 0.68629E+00 0.78717E+01
|
|
|
|
Lanczos iteration: 52 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000052)= 0.000000
|
|
beta (00000052)= 13.332122
|
|
gamma(00000052)= 13.332122
|
|
z1= 1 -0.394899982497296E-07 0.000000000000000E+00
|
|
z1= 2 -0.123304273688592E+00 0.000000000000000E+00
|
|
z1= 3 -0.886825521767554E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133321223817444E+02 read= 0.127228192995960E+02)
|
|
Weight for this step= 0.57284E+00 0.52642E+01
|
|
|
|
Lanczos iteration: 53 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000053)= 0.000000
|
|
beta (00000053)= 12.722819
|
|
gamma(00000053)= 12.722819
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127228192995960E+02 read= 0.133311333210019E+02)
|
|
Weight for this step=-0.69010E+00 -0.79778E+01
|
|
|
|
Lanczos iteration: 54 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000054)= 0.000000
|
|
beta (00000054)= 13.331133
|
|
gamma(00000054)= 13.331133
|
|
z1= 1 0.393013214871479E-07 0.000000000000000E+00
|
|
z1= 2 0.117677766415885E+00 0.000000000000000E+00
|
|
z1= 3 0.914386300919067E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133311333210019E+02 read= 0.127582797836824E+02)
|
|
Weight for this step=-0.57999E+00 -0.54157E+01
|
|
|
|
Lanczos iteration: 55 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000055)= 0.000000
|
|
beta (00000055)= 12.758280
|
|
gamma(00000055)= 12.758280
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127582797836824E+02 read= 0.134060406005308E+02)
|
|
Weight for this step= 0.69175E+00 0.80580E+01
|
|
|
|
Lanczos iteration: 56 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000056)= 0.000000
|
|
beta (00000056)= 13.406041
|
|
gamma(00000056)= 13.406041
|
|
z1= 1 -0.390926456310392E-07 0.000000000000000E+00
|
|
z1= 2 -0.111991744094319E+00 0.000000000000000E+00
|
|
z1= 3 -0.937140761279268E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134060406005308E+02 read= 0.128473550090812E+02)
|
|
Weight for this step= 0.58514E+00 0.55476E+01
|
|
|
|
Lanczos iteration: 57 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000057)= 0.000000
|
|
beta (00000057)= 12.847355
|
|
gamma(00000057)= 12.847355
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128473550090812E+02 read= 0.134039087103205E+02)
|
|
Weight for this step=-0.69245E+00 -0.81258E+01
|
|
|
|
Lanczos iteration: 58 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000058)= 0.000000
|
|
beta (00000058)= 13.403909
|
|
gamma(00000058)= 13.403909
|
|
z1= 1 0.392492753506501E-07 0.000000000000000E+00
|
|
z1= 2 0.107341651272071E+00 0.000000000000000E+00
|
|
z1= 3 0.964236707000788E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134039087103205E+02 read= 0.127085134818906E+02)
|
|
Weight for this step=-0.59406E+00 -0.57141E+01
|
|
|
|
Lanczos iteration: 59 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000059)= 0.000000
|
|
beta (00000059)= 12.708513
|
|
gamma(00000059)= 12.708513
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127085134818906E+02 read= 0.134059900734688E+02)
|
|
Weight for this step= 0.70019E+00 0.82760E+01
|
|
|
|
Lanczos iteration: 60 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000060)= 0.000000
|
|
beta (00000060)= 13.405990
|
|
gamma(00000060)= 13.405990
|
|
z1= 1 -0.390689490186585E-07 0.000000000000000E+00
|
|
z1= 2 -0.101756961991136E+00 0.000000000000000E+00
|
|
z1= 3 -0.979040877236402E-07 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134059900734688E+02 read= 0.128114180105203E+02)
|
|
Weight for this step= 0.59672E+00 0.58210E+01
|
|
|
|
Lanczos iteration: 61 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000061)= 0.000000
|
|
beta (00000061)= 12.811418
|
|
gamma(00000061)= 12.811418
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128114180105203E+02 read= 0.133962328998871E+02)
|
|
Weight for this step=-0.70265E+00 -0.83626E+01
|
|
|
|
Lanczos iteration: 62 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000062)= 0.000000
|
|
beta (00000062)= 13.396233
|
|
gamma(00000062)= 13.396233
|
|
z1= 1 0.392738389500685E-07 0.000000000000000E+00
|
|
z1= 2 0.973147440247956E-01 0.000000000000000E+00
|
|
z1= 3 0.100016475995321E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133962328998871E+02 read= 0.128679185622213E+02)
|
|
Weight for this step=-0.60438E+00 -0.59756E+01
|
|
|
|
Lanczos iteration: 63 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000063)= 0.000000
|
|
beta (00000063)= 12.867919
|
|
gamma(00000063)= 12.867919
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128679185622213E+02 read= 0.134205612558691E+02)
|
|
Weight for this step= 0.70122E+00 0.84019E+01
|
|
|
|
Lanczos iteration: 64 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000064)= 0.000000
|
|
beta (00000064)= 13.420561
|
|
gamma(00000064)= 13.420561
|
|
z1= 1 -0.396166087383160E-07 0.000000000000000E+00
|
|
z1= 2 -0.933074390213637E-01 0.000000000000000E+00
|
|
z1= 3 -0.102124363534316E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134205612558691E+02 read= 0.128519346338471E+02)
|
|
Weight for this step= 0.61307E+00 0.61394E+01
|
|
|
|
Lanczos iteration: 65 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000065)= 0.000000
|
|
beta (00000065)= 12.851935
|
|
gamma(00000065)= 12.851935
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128519346338471E+02 read= 0.134895283724796E+02)
|
|
Weight for this step=-0.70149E+00 -0.84609E+01
|
|
|
|
Lanczos iteration: 66 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000066)= 0.000000
|
|
beta (00000066)= 13.489528
|
|
gamma(00000066)= 13.489528
|
|
z1= 1 0.397428612623763E-07 0.000000000000000E+00
|
|
z1= 2 0.888971855829094E-01 0.000000000000000E+00
|
|
z1= 3 0.103402804484207E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134895283724796E+02 read= 0.128072346246347E+02)
|
|
Weight for this step=-0.61751E+00 -0.62598E+01
|
|
|
|
Lanczos iteration: 67 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000067)= 0.000000
|
|
beta (00000067)= 12.807235
|
|
gamma(00000067)= 12.807235
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128072346246347E+02 read= 0.134057750353204E+02)
|
|
Weight for this step= 0.70779E+00 0.85917E+01
|
|
|
|
Lanczos iteration: 68 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000068)= 0.000000
|
|
beta (00000068)= 13.405775
|
|
gamma(00000068)= 13.405775
|
|
z1= 1 -0.400756461835239E-07 0.000000000000000E+00
|
|
z1= 2 -0.849281082391969E-01 0.000000000000000E+00
|
|
z1= 3 -0.105035430381963E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134057750353204E+02 read= 0.127834353998481E+02)
|
|
Weight for this step= 0.62386E+00 0.63999E+01
|
|
|
|
Lanczos iteration: 69 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000069)= 0.000000
|
|
beta (00000069)= 12.783435
|
|
gamma(00000069)= 12.783435
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127834353998481E+02 read= 0.133624847882108E+02)
|
|
Weight for this step=-0.71080E+00 -0.86822E+01
|
|
|
|
Lanczos iteration: 70 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000070)= 0.000000
|
|
beta (00000070)= 13.362485
|
|
gamma(00000070)= 13.362485
|
|
z1= 1 0.405146256318017E-07 0.000000000000000E+00
|
|
z1= 2 0.812478369490772E-01 0.000000000000000E+00
|
|
z1= 3 0.106952177754221E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133624847882108E+02 read= 0.128141984919842E+02)
|
|
Weight for this step=-0.63099E+00 -0.65479E+01
|
|
|
|
Lanczos iteration: 71 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000071)= 0.000000
|
|
beta (00000071)= 12.814198
|
|
gamma(00000071)= 12.814198
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128141984919842E+02 read= 0.134336357809299E+02)
|
|
Weight for this step= 0.70949E+00 0.87191E+01
|
|
|
|
Lanczos iteration: 72 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000072)= 0.000000
|
|
beta (00000072)= 13.433636
|
|
gamma(00000072)= 13.433636
|
|
z1= 1 -0.407556893303185E-07 0.000000000000000E+00
|
|
z1= 2 -0.775014245352549E-01 0.000000000000000E+00
|
|
z1= 3 -0.108633695312336E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134336357809299E+02 read= 0.128171547363079E+02)
|
|
Weight for this step= 0.63582E+00 0.66709E+01
|
|
|
|
Lanczos iteration: 73 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000073)= 0.000000
|
|
beta (00000073)= 12.817155
|
|
gamma(00000073)= 12.817155
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128171547363079E+02 read= 0.132766256123566E+02)
|
|
Weight for this step=-0.71167E+00 -0.87978E+01
|
|
|
|
Lanczos iteration: 74 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000074)= 0.000000
|
|
beta (00000074)= 13.276626
|
|
gamma(00000074)= 13.276626
|
|
z1= 1 0.414290893847868E-07 0.000000000000000E+00
|
|
z1= 2 0.748192936636047E-01 0.000000000000000E+00
|
|
z1= 3 0.111776451174094E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132766256123566E+02 read= 0.127707360062342E+02)
|
|
Weight for this step=-0.64824E+00 -0.68739E+01
|
|
|
|
Lanczos iteration: 75 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000075)= 0.000000
|
|
beta (00000075)= 12.770736
|
|
gamma(00000075)= 12.770736
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127707360062342E+02 read= 0.133758747033011E+02)
|
|
Weight for this step= 0.70717E+00 0.87939E+01
|
|
|
|
Lanczos iteration: 76 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000076)= 0.000000
|
|
beta (00000076)= 13.375875
|
|
gamma(00000076)= 13.375875
|
|
z1= 1 -0.415994685573629E-07 0.000000000000000E+00
|
|
z1= 2 -0.714343898059240E-01 0.000000000000000E+00
|
|
z1= 3 -0.113693273268265E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133758747033011E+02 read= 0.127589885480185E+02)
|
|
Weight for this step= 0.65287E+00 0.69933E+01
|
|
|
|
Lanczos iteration: 77 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000077)= 0.000000
|
|
beta (00000077)= 12.758989
|
|
gamma(00000077)= 12.758989
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127589885480185E+02 read= 0.134163880593514E+02)
|
|
Weight for this step=-0.70841E+00 -0.88602E+01
|
|
|
|
Lanczos iteration: 78 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000078)= 0.000000
|
|
beta (00000078)= 13.416388
|
|
gamma(00000078)= 13.416388
|
|
z1= 1 0.416124357281028E-07 0.000000000000000E+00
|
|
z1= 2 0.679341233599158E-01 0.000000000000000E+00
|
|
z1= 3 0.115351090354998E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134163880593514E+02 read= 0.127770692442605E+02)
|
|
Weight for this step=-0.65478E+00 -0.70830E+01
|
|
|
|
Lanczos iteration: 79 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000079)= 0.000000
|
|
beta (00000079)= 12.777069
|
|
gamma(00000079)= 12.777069
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127770692442605E+02 read= 0.133427371361058E+02)
|
|
Weight for this step= 0.71087E+00 0.89406E+01
|
|
|
|
Lanczos iteration: 80 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000080)= 0.000000
|
|
beta (00000080)= 13.342737
|
|
gamma(00000080)= 13.342737
|
|
z1= 1 -0.419494845249613E-07 0.000000000000000E+00
|
|
z1= 2 -0.650540432119401E-01 0.000000000000000E+00
|
|
z1= 3 -0.117947682992680E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133427371361058E+02 read= 0.128095555347879E+02)
|
|
Weight for this step= 0.66123E+00 0.72214E+01
|
|
|
|
Lanczos iteration: 81 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000081)= 0.000000
|
|
beta (00000081)= 12.809556
|
|
gamma(00000081)= 12.809556
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128095555347879E+02 read= 0.134134790995591E+02)
|
|
Weight for this step=-0.70723E+00 -0.89437E+01
|
|
|
|
Lanczos iteration: 82 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000082)= 0.000000
|
|
beta (00000082)= 13.413479
|
|
gamma(00000082)= 13.413479
|
|
z1= 1 0.421421771680530E-07 0.000000000000000E+00
|
|
z1= 2 0.621250738231834E-01 0.000000000000000E+00
|
|
z1= 3 0.120227527759158E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134134790995591E+02 read= 0.128171386894313E+02)
|
|
Weight for this step=-0.66530E+00 -0.73328E+01
|
|
|
|
Lanczos iteration: 83 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000083)= 0.000000
|
|
beta (00000083)= 12.817139
|
|
gamma(00000083)= 12.817139
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128171386894313E+02 read= 0.133748243600871E+02)
|
|
Weight for this step= 0.70673E+00 0.89852E+01
|
|
|
|
Lanczos iteration: 84 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000084)= 0.000000
|
|
beta (00000084)= 13.374824
|
|
gamma(00000084)= 13.374824
|
|
z1= 1 -0.425121660279151E-07 0.000000000000000E+00
|
|
z1= 2 -0.595346649679453E-01 0.000000000000000E+00
|
|
z1= 3 -0.123018842323628E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133748243600871E+02 read= 0.127869931140570E+02)
|
|
Weight for this step= 0.67148E+00 0.74669E+01
|
|
|
|
Lanczos iteration: 85 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000085)= 0.000000
|
|
beta (00000085)= 12.786993
|
|
gamma(00000085)= 12.786993
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127869931140570E+02 read= 0.133112733562761E+02)
|
|
Weight for this step=-0.70543E+00 -0.90160E+01
|
|
|
|
Lanczos iteration: 86 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000086)= 0.000000
|
|
beta (00000086)= 13.311273
|
|
gamma(00000086)= 13.311273
|
|
z1= 1 0.430465453993972E-07 0.000000000000000E+00
|
|
z1= 2 0.571898217861991E-01 0.000000000000000E+00
|
|
z1= 3 0.126053925033037E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133112733562761E+02 read= 0.127546604914042E+02)
|
|
Weight for this step=-0.67905E+00 -0.76162E+01
|
|
|
|
Lanczos iteration: 87 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000087)= 0.000000
|
|
beta (00000087)= 12.754660
|
|
gamma(00000087)= 12.754660
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127546604914042E+02 read= 0.134074235119316E+02)
|
|
Weight for this step= 0.70196E+00 0.90185E+01
|
|
|
|
Lanczos iteration: 88 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000088)= 0.000000
|
|
beta (00000088)= 13.407424
|
|
gamma(00000088)= 13.407424
|
|
z1= 1 -0.431702705900802E-07 0.000000000000000E+00
|
|
z1= 2 -0.544054388822533E-01 0.000000000000000E+00
|
|
z1= 3 -0.127695908240641E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134074235119316E+02 read= 0.128996229146454E+02)
|
|
Weight for this step= 0.67958E+00 0.76858E+01
|
|
|
|
Lanczos iteration: 89 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000089)= 0.000000
|
|
beta (00000089)= 12.899623
|
|
gamma(00000089)= 12.899623
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128996229146454E+02 read= 0.132846945274525E+02)
|
|
Weight for this step=-0.69570E+00 -0.89835E+01
|
|
|
|
Lanczos iteration: 90 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000090)= 0.000000
|
|
beta (00000090)= 13.284695
|
|
gamma(00000090)= 13.284695
|
|
z1= 1 0.441749900574259E-07 0.000000000000000E+00
|
|
z1= 2 0.528284368629317E-01 0.000000000000000E+00
|
|
z1= 3 0.131763330294267E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132846945274525E+02 read= 0.127068680406787E+02)
|
|
Weight for this step=-0.69349E+00 -0.79057E+01
|
|
|
|
Lanczos iteration: 91 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000091)= 0.000000
|
|
beta (00000091)= 12.706868
|
|
gamma(00000091)= 12.706868
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127068680406787E+02 read= 0.133719639714787E+02)
|
|
Weight for this step= 0.69224E+00 0.89847E+01
|
|
|
|
Lanczos iteration: 92 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000092)= 0.000000
|
|
beta (00000092)= 13.371964
|
|
gamma(00000092)= 13.371964
|
|
z1= 1 -0.442425978700034E-07 0.000000000000000E+00
|
|
z1= 2 -0.502008513816213E-01 0.000000000000000E+00
|
|
z1= 3 -0.132850576237012E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133719639714787E+02 read= 0.127717141030685E+02)
|
|
Weight for this step= 0.69221E+00 0.79523E+01
|
|
|
|
Lanczos iteration: 93 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000093)= 0.000000
|
|
beta (00000093)= 12.771714
|
|
gamma(00000093)= 12.771714
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127717141030685E+02 read= 0.133508957234343E+02)
|
|
Weight for this step=-0.68991E+00 -0.89993E+01
|
|
|
|
Lanczos iteration: 94 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000094)= 0.000000
|
|
beta (00000094)= 13.350896
|
|
gamma(00000094)= 13.350896
|
|
z1= 1 0.446335443136242E-07 0.000000000000000E+00
|
|
z1= 2 0.480230641342900E-01 0.000000000000000E+00
|
|
z1= 3 0.134732562218835E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133508957234343E+02 read= 0.128052032670671E+02)
|
|
Weight for this step=-0.69534E+00 -0.80487E+01
|
|
|
|
Lanczos iteration: 95 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000095)= 0.000000
|
|
beta (00000095)= 12.805203
|
|
gamma(00000095)= 12.805203
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128052032670671E+02 read= 0.133820991152992E+02)
|
|
Weight for this step= 0.68440E+00 0.89713E+01
|
|
|
|
Lanczos iteration: 96 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000096)= 0.000000
|
|
beta (00000096)= 13.382099
|
|
gamma(00000096)= 13.382099
|
|
z1= 1 -0.450823867091665E-07 0.000000000000000E+00
|
|
z1= 2 -0.459528129666848E-01 0.000000000000000E+00
|
|
z1= 3 -0.136408381648024E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133820991152992E+02 read= 0.128185791001271E+02)
|
|
Weight for this step= 0.69817E+00 0.81406E+01
|
|
|
|
Lanczos iteration: 97 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000097)= 0.000000
|
|
beta (00000097)= 12.818579
|
|
gamma(00000097)= 12.818579
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128185791001271E+02 read= 0.135243218264849E+02)
|
|
Weight for this step=-0.67947E+00 -0.89499E+01
|
|
|
|
Lanczos iteration: 98 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000098)= 0.000000
|
|
beta (00000098)= 13.524322
|
|
gamma(00000098)= 13.524322
|
|
z1= 1 0.451564609897301E-07 0.000000000000000E+00
|
|
z1= 2 0.435548469967084E-01 0.000000000000000E+00
|
|
z1= 3 0.136554192500349E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135243218264849E+02 read= 0.130599079018721E+02)
|
|
Weight for this step=-0.69396E+00 -0.81490E+01
|
|
|
|
Lanczos iteration: 99 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000099)= 0.000000
|
|
beta (00000099)= 13.059908
|
|
gamma(00000099)= 13.059908
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130599079018721E+02 read= 0.135086288019557E+02)
|
|
Weight for this step= 0.66947E+00 0.88597E+01
|
|
|
|
Lanczos iteration: 100 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000100)= 0.000000
|
|
beta (00000100)= 13.508629
|
|
gamma(00000100)= 13.508629
|
|
z1= 1 -0.461245238938743E-07 0.000000000000000E+00
|
|
z1= 2 -0.421080702413551E-01 0.000000000000000E+00
|
|
z1= 3 -0.139183658303104E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135086288019557E+02 read= 0.126954582489990E+02)
|
|
Weight for this step= 0.70269E+00 0.83077E+01
|
|
|
|
Lanczos iteration: 101 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000101)= 0.000000
|
|
beta (00000101)= 12.695458
|
|
gamma(00000101)= 12.695458
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126954582489990E+02 read= 0.133887702284653E+02)
|
|
Weight for this step=-0.67677E+00 -0.89987E+01
|
|
|
|
Lanczos iteration: 102 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000102)= 0.000000
|
|
beta (00000102)= 13.388770
|
|
gamma(00000102)= 13.388770
|
|
z1= 1 0.463551808552870E-07 0.000000000000000E+00
|
|
z1= 2 0.399275839806774E-01 0.000000000000000E+00
|
|
z1= 3 0.139252886804399E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133887702284653E+02 read= 0.128705976317054E+02)
|
|
Weight for this step=-0.69872E+00 -0.83175E+01
|
|
|
|
Lanczos iteration: 103 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000103)= 0.000000
|
|
beta (00000103)= 12.870598
|
|
gamma(00000103)= 12.870598
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128705976317054E+02 read= 0.134324186557845E+02)
|
|
Weight for this step= 0.66913E+00 0.89379E+01
|
|
|
|
Lanczos iteration: 104 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000104)= 0.000000
|
|
beta (00000104)= 13.432419
|
|
gamma(00000104)= 13.432419
|
|
z1= 1 -0.470530876831021E-07 0.000000000000000E+00
|
|
z1= 2 -0.382575827176236E-01 0.000000000000000E+00
|
|
z1= 3 -0.140594355010773E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134324186557845E+02 read= 0.128104483925444E+02)
|
|
Weight for this step= 0.70144E+00 0.84052E+01
|
|
|
|
Lanczos iteration: 105 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000105)= 0.000000
|
|
beta (00000105)= 12.810448
|
|
gamma(00000105)= 12.810448
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128104483925444E+02 read= 0.132219659192475E+02)
|
|
Weight for this step=-0.66643E+00 -0.89423E+01
|
|
|
|
Lanczos iteration: 106 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000106)= 0.000000
|
|
beta (00000106)= 13.221966
|
|
gamma(00000106)= 13.221966
|
|
z1= 1 0.482876976667934E-07 0.000000000000000E+00
|
|
z1= 2 0.370668622216136E-01 0.000000000000000E+00
|
|
z1= 3 0.143491189160717E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132219659192475E+02 read= 0.127399314050662E+02)
|
|
Weight for this step=-0.71193E+00 -0.85864E+01
|
|
|
|
Lanczos iteration: 107 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000107)= 0.000000
|
|
beta (00000107)= 12.739931
|
|
gamma(00000107)= 12.739931
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127399314050662E+02 read= 0.133741052355408E+02)
|
|
Weight for this step= 0.65574E+00 0.88394E+01
|
|
|
|
Lanczos iteration: 108 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000108)= 0.000000
|
|
beta (00000108)= 13.374105
|
|
gamma(00000108)= 13.374105
|
|
z1= 1 -0.486667866674353E-07 0.000000000000000E+00
|
|
z1= 2 -0.353092243396949E-01 0.000000000000000E+00
|
|
z1= 3 -0.143777894144907E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133741052355408E+02 read= 0.128403047111437E+02)
|
|
Weight for this step= 0.70960E+00 0.86120E+01
|
|
|
|
Lanczos iteration: 109 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000109)= 0.000000
|
|
beta (00000109)= 12.840305
|
|
gamma(00000109)= 12.840305
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128403047111437E+02 read= 0.132368932031171E+02)
|
|
Weight for this step=-0.64749E+00 -0.87678E+01
|
|
|
|
Lanczos iteration: 110 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000110)= 0.000000
|
|
beta (00000110)= 13.236893
|
|
gamma(00000110)= 13.236893
|
|
z1= 1 0.499032714864830E-07 0.000000000000000E+00
|
|
z1= 2 0.342513301783721E-01 0.000000000000000E+00
|
|
z1= 3 0.146614748559371E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132368932031171E+02 read= 0.128338482262855E+02)
|
|
Weight for this step=-0.71970E+00 -0.87876E+01
|
|
|
|
Lanczos iteration: 111 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000111)= 0.000000
|
|
beta (00000111)= 12.833848
|
|
gamma(00000111)= 12.833848
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128338482262855E+02 read= 0.135644731582412E+02)
|
|
Weight for this step= 0.63180E+00 0.85949E+01
|
|
|
|
Lanczos iteration: 112 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000112)= 0.000000
|
|
beta (00000112)= 13.564473
|
|
gamma(00000112)= 13.564473
|
|
z1= 1 -0.497966426687285E-07 0.000000000000000E+00
|
|
z1= 2 -0.324064464524045E-01 0.000000000000000E+00
|
|
z1= 3 -0.145610263916230E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135644731582412E+02 read= 0.129466153154883E+02)
|
|
Weight for this step= 0.71079E+00 0.87291E+01
|
|
|
|
Lanczos iteration: 113 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000113)= 0.000000
|
|
beta (00000113)= 12.946615
|
|
gamma(00000113)= 12.946615
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129466153154883E+02 read= 0.133084150844351E+02)
|
|
Weight for this step=-0.62669E+00 -0.85637E+01
|
|
|
|
Lanczos iteration: 114 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000114)= 0.000000
|
|
beta (00000114)= 13.308415
|
|
gamma(00000114)= 13.308415
|
|
z1= 1 0.511080792452503E-07 0.000000000000000E+00
|
|
z1= 2 0.315254516258620E-01 0.000000000000000E+00
|
|
z1= 3 0.148685944208389E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133084150844351E+02 read= 0.128233559381794E+02)
|
|
Weight for this step=-0.72165E+00 -0.89130E+01
|
|
|
|
Lanczos iteration: 115 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000115)= 0.000000
|
|
beta (00000115)= 12.823356
|
|
gamma(00000115)= 12.823356
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128233559381794E+02 read= 0.134440161150482E+02)
|
|
Weight for this step= 0.61425E+00 0.84326E+01
|
|
|
|
Lanczos iteration: 116 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000116)= 0.000000
|
|
beta (00000116)= 13.444016
|
|
gamma(00000116)= 13.444016
|
|
z1= 1 -0.513579019858698E-07 0.000000000000000E+00
|
|
z1= 2 -0.300700388820408E-01 0.000000000000000E+00
|
|
z1= 3 -0.148731939185313E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134440161150482E+02 read= 0.126207038131059E+02)
|
|
Weight for this step= 0.71762E+00 0.89122E+01
|
|
|
|
Lanczos iteration: 117 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000117)= 0.000000
|
|
beta (00000117)= 12.620704
|
|
gamma(00000117)= 12.620704
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126207038131059E+02 read= 0.133358345415407E+02)
|
|
Weight for this step=-0.61781E+00 -0.85203E+01
|
|
|
|
Lanczos iteration: 118 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000118)= 0.000000
|
|
beta (00000118)= 13.335835
|
|
gamma(00000118)= 13.335835
|
|
z1= 1 0.512475177788865E-07 0.000000000000000E+00
|
|
z1= 2 0.284575407108322E-01 0.000000000000000E+00
|
|
z1= 3 0.147896804001757E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133358345415407E+02 read= 0.127902592367946E+02)
|
|
Weight for this step=-0.70882E+00 -0.88525E+01
|
|
|
|
Lanczos iteration: 119 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000119)= 0.000000
|
|
beta (00000119)= 12.790259
|
|
gamma(00000119)= 12.790259
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127902592367946E+02 read= 0.132027155894454E+02)
|
|
Weight for this step= 0.60858E+00 0.84307E+01
|
|
|
|
Lanczos iteration: 120 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000120)= 0.000000
|
|
beta (00000120)= 13.202716
|
|
gamma(00000120)= 13.202716
|
|
z1= 1 -0.522045898168275E-07 0.000000000000000E+00
|
|
z1= 2 -0.275685195570034E-01 0.000000000000000E+00
|
|
z1= 3 -0.150558050004729E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132027155894454E+02 read= 0.125332058089314E+02)
|
|
Weight for this step= 0.71621E+00 0.89940E+01
|
|
|
|
Lanczos iteration: 121 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000121)= 0.000000
|
|
beta (00000121)= 12.533206
|
|
gamma(00000121)= 12.533206
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125332058089314E+02 read= 0.132558595406939E+02)
|
|
Weight for this step=-0.60440E+00 -0.84112E+01
|
|
|
|
Lanczos iteration: 122 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000122)= 0.000000
|
|
beta (00000122)= 13.255860
|
|
gamma(00000122)= 13.255860
|
|
z1= 1 0.517862450734319E-07 0.000000000000000E+00
|
|
z1= 2 0.260655997745574E-01 0.000000000000000E+00
|
|
z1= 3 0.149669058401415E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132558595406939E+02 read= 0.127625185276201E+02)
|
|
Weight for this step=-0.70638E+00 -0.89191E+01
|
|
|
|
Lanczos iteration: 123 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000123)= 0.000000
|
|
beta (00000123)= 12.762519
|
|
gamma(00000123)= 12.762519
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127625185276201E+02 read= 0.133430417887561E+02)
|
|
Weight for this step= 0.59223E+00 0.82788E+01
|
|
|
|
Lanczos iteration: 124 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000124)= 0.000000
|
|
beta (00000124)= 13.343042
|
|
gamma(00000124)= 13.343042
|
|
z1= 1 -0.517888198549657E-07 0.000000000000000E+00
|
|
z1= 2 -0.249315489918235E-01 0.000000000000000E+00
|
|
z1= 3 -0.150384859085007E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133430417887561E+02 read= 0.126968313765673E+02)
|
|
Weight for this step= 0.70408E+00 0.89373E+01
|
|
|
|
Lanczos iteration: 125 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000125)= 0.000000
|
|
beta (00000125)= 12.696831
|
|
gamma(00000125)= 12.696831
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126968313765673E+02 read= 0.134485534023003E+02)
|
|
Weight for this step=-0.58677E+00 -0.82394E+01
|
|
|
|
Lanczos iteration: 126 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000126)= 0.000000
|
|
beta (00000126)= 13.448553
|
|
gamma(00000126)= 13.448553
|
|
z1= 1 0.510788782312477E-07 0.000000000000000E+00
|
|
z1= 2 0.235379720060944E-01 0.000000000000000E+00
|
|
z1= 3 0.149192112565292E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134485534023003E+02 read= 0.127069923886508E+02)
|
|
Weight for this step=-0.69267E+00 -0.88388E+01
|
|
|
|
Lanczos iteration: 127 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000127)= 0.000000
|
|
beta (00000127)= 12.706992
|
|
gamma(00000127)= 12.706992
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127069923886508E+02 read= 0.133427662558771E+02)
|
|
Weight for this step= 0.58603E+00 0.82648E+01
|
|
|
|
Lanczos iteration: 128 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000128)= 0.000000
|
|
beta (00000128)= 13.342766
|
|
gamma(00000128)= 13.342766
|
|
z1= 1 -0.508237734996378E-07 0.000000000000000E+00
|
|
z1= 2 -0.224164034196412E-01 0.000000000000000E+00
|
|
z1= 3 -0.149475168542386E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133427662558771E+02 read= 0.127306978773624E+02)
|
|
Weight for this step= 0.68780E+00 0.88232E+01
|
|
|
|
Lanczos iteration: 129 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000129)= 0.000000
|
|
beta (00000129)= 12.730698
|
|
gamma(00000129)= 12.730698
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127306978773624E+02 read= 0.133290336856541E+02)
|
|
Weight for this step=-0.57953E+00 -0.82084E+01
|
|
|
|
Lanczos iteration: 130 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000130)= 0.000000
|
|
beta (00000130)= 13.329034
|
|
gamma(00000130)= 13.329034
|
|
z1= 1 0.506693215241230E-07 0.000000000000000E+00
|
|
z1= 2 0.214101386614151E-01 0.000000000000000E+00
|
|
z1= 3 0.150284082133662E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133290336856541E+02 read= 0.126503658020918E+02)
|
|
Weight for this step=-0.68477E+00 -0.88303E+01
|
|
|
|
Lanczos iteration: 131 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000131)= 0.000000
|
|
beta (00000131)= 12.650366
|
|
gamma(00000131)= 12.650366
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126503658020918E+02 read= 0.131816923939132E+02)
|
|
Weight for this step= 0.57589E+00 0.81918E+01
|
|
|
|
Lanczos iteration: 132 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000132)= 0.000000
|
|
beta (00000132)= 13.181692
|
|
gamma(00000132)= 13.181692
|
|
z1= 1 -0.507404507256101E-07 0.000000000000000E+00
|
|
z1= 2 -0.205471405223712E-01 0.000000000000000E+00
|
|
z1= 3 -0.151874992234151E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131816923939132E+02 read= 0.128925256907600E+02)
|
|
Weight for this step= 0.68514E+00 0.88812E+01
|
|
|
|
Lanczos iteration: 133 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000133)= 0.000000
|
|
beta (00000133)= 12.892526
|
|
gamma(00000133)= 12.892526
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128925256907600E+02 read= 0.133863084981532E+02)
|
|
Weight for this step=-0.55471E+00 -0.79246E+01
|
|
|
|
Lanczos iteration: 134 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000134)= 0.000000
|
|
beta (00000134)= 13.386308
|
|
gamma(00000134)= 13.386308
|
|
z1= 1 0.508740361495827E-07 0.000000000000000E+00
|
|
z1= 2 0.197892150097149E-01 0.000000000000000E+00
|
|
z1= 3 0.153488010287423E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133863084981532E+02 read= 0.128027792449802E+02)
|
|
Weight for this step=-0.68640E+00 -0.89411E+01
|
|
|
|
Lanczos iteration: 135 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000135)= 0.000000
|
|
beta (00000135)= 12.802779
|
|
gamma(00000135)= 12.802779
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128027792449802E+02 read= 0.134760860252883E+02)
|
|
Weight for this step= 0.54559E+00 0.78285E+01
|
|
|
|
Lanczos iteration: 136 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000136)= 0.000000
|
|
beta (00000136)= 13.476086
|
|
gamma(00000136)= 13.476086
|
|
z1= 1 -0.502853249938033E-07 0.000000000000000E+00
|
|
z1= 2 -0.188004848533467E-01 0.000000000000000E+00
|
|
z1= 3 -0.152862130983419E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134760860252883E+02 read= 0.128583205746305E+02)
|
|
Weight for this step= 0.67803E+00 0.88747E+01
|
|
|
|
Lanczos iteration: 137 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000137)= 0.000000
|
|
beta (00000137)= 12.858321
|
|
gamma(00000137)= 12.858321
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128583205746305E+02 read= 0.134064077426251E+02)
|
|
Weight for this step=-0.53798E+00 -0.77528E+01
|
|
|
|
Lanczos iteration: 138 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000138)= 0.000000
|
|
beta (00000138)= 13.406408
|
|
gamma(00000138)= 13.406408
|
|
z1= 1 0.501632971153330E-07 0.000000000000000E+00
|
|
z1= 2 0.180318744471873E-01 0.000000000000000E+00
|
|
z1= 3 0.153614305334083E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134064077426251E+02 read= 0.130378605876166E+02)
|
|
Weight for this step=-0.67600E+00 -0.88905E+01
|
|
|
|
Lanczos iteration: 139 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000139)= 0.000000
|
|
beta (00000139)= 13.037861
|
|
gamma(00000139)= 13.037861
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130378605876166E+02 read= 0.133718663353035E+02)
|
|
Weight for this step= 0.51992E+00 0.75255E+01
|
|
|
|
Lanczos iteration: 140 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000140)= 0.000000
|
|
beta (00000140)= 13.371866
|
|
gamma(00000140)= 13.371866
|
|
z1= 1 -0.507260117920544E-07 0.000000000000000E+00
|
|
z1= 2 -0.175814698771815E-01 0.000000000000000E+00
|
|
z1= 3 -0.156574388103097E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133718663353035E+02 read= 0.128274248485673E+02)
|
|
Weight for this step= 0.68401E+00 0.90369E+01
|
|
|
|
Lanczos iteration: 141 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000141)= 0.000000
|
|
beta (00000141)= 12.827425
|
|
gamma(00000141)= 12.827425
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128274248485673E+02 read= 0.134285426373149E+02)
|
|
Weight for this step=-0.50779E+00 -0.73837E+01
|
|
|
|
Lanczos iteration: 142 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000142)= 0.000000
|
|
beta (00000142)= 13.428543
|
|
gamma(00000142)= 13.428543
|
|
z1= 1 0.501608525692483E-07 0.000000000000000E+00
|
|
z1= 2 0.167944496784194E-01 0.000000000000000E+00
|
|
z1= 3 0.156155841881449E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134285426373149E+02 read= 0.127436339186622E+02)
|
|
Weight for this step=-0.67759E+00 -0.89923E+01
|
|
|
|
Lanczos iteration: 143 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000143)= 0.000000
|
|
beta (00000143)= 12.743634
|
|
gamma(00000143)= 12.743634
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127436339186622E+02 read= 0.135244376913248E+02)
|
|
Weight for this step= 0.50098E+00 0.73186E+01
|
|
|
|
Lanczos iteration: 144 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000144)= 0.000000
|
|
beta (00000144)= 13.524438
|
|
gamma(00000144)= 13.524438
|
|
z1= 1 -0.488829947683372E-07 0.000000000000000E+00
|
|
z1= 2 -0.158248589295845E-01 0.000000000000000E+00
|
|
z1= 3 -0.153609472765466E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135244376913248E+02 read= 0.128725690950833E+02)
|
|
Weight for this step= 0.66218E+00 0.88274E+01
|
|
|
|
Lanczos iteration: 145 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000145)= 0.000000
|
|
beta (00000145)= 12.872569
|
|
gamma(00000145)= 12.872569
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128725690950833E+02 read= 0.133475639870856E+02)
|
|
Weight for this step=-0.49336E+00 -0.72403E+01
|
|
|
|
Lanczos iteration: 146 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000146)= 0.000000
|
|
beta (00000146)= 13.347564
|
|
gamma(00000146)= 13.347564
|
|
z1= 1 0.487031187224214E-07 0.000000000000000E+00
|
|
z1= 2 0.152617054458866E-01 0.000000000000000E+00
|
|
z1= 3 0.154701081735023E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133475639870856E+02 read= 0.130029248308031E+02)
|
|
Weight for this step=-0.66227E+00 -0.88684E+01
|
|
|
|
Lanczos iteration: 147 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000147)= 0.000000
|
|
beta (00000147)= 13.002925
|
|
gamma(00000147)= 13.002925
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130029248308031E+02 read= 0.134541304787208E+02)
|
|
Weight for this step= 0.47378E+00 0.69857E+01
|
|
|
|
Lanczos iteration: 148 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000148)= 0.000000
|
|
beta (00000148)= 13.454130
|
|
gamma(00000148)= 13.454130
|
|
z1= 1 -0.484822518451167E-07 0.000000000000000E+00
|
|
z1= 2 -0.147498798987112E-01 0.000000000000000E+00
|
|
z1= 3 -0.155875284057799E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134541304787208E+02 read= 0.128254533095391E+02)
|
|
Weight for this step= 0.66259E+00 0.89109E+01
|
|
|
|
Lanczos iteration: 149 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000149)= 0.000000
|
|
beta (00000149)= 12.825453
|
|
gamma(00000149)= 12.825453
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128254533095391E+02 read= 0.134399085383898E+02)
|
|
Weight for this step=-0.46388E+00 -0.68732E+01
|
|
|
|
Lanczos iteration: 150 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000150)= 0.000000
|
|
beta (00000150)= 13.439909
|
|
gamma(00000150)= 13.439909
|
|
z1= 1 0.475475883388032E-07 0.000000000000000E+00
|
|
z1= 2 0.140755344742021E-01 0.000000000000000E+00
|
|
z1= 3 0.155117655130594E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134399085383898E+02 read= 0.127274296257015E+02)
|
|
Weight for this step=-0.65438E+00 -0.88383E+01
|
|
|
|
Lanczos iteration: 151 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000151)= 0.000000
|
|
beta (00000151)= 12.727430
|
|
gamma(00000151)= 12.727430
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127274296257015E+02 read= 0.134160532992681E+02)
|
|
Weight for this step= 0.45689E+00 0.68034E+01
|
|
|
|
Lanczos iteration: 152 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000152)= 0.000000
|
|
beta (00000152)= 13.416053
|
|
gamma(00000152)= 13.416053
|
|
z1= 1 -0.463063550950119E-07 0.000000000000000E+00
|
|
z1= 2 -0.133530607301862E-01 0.000000000000000E+00
|
|
z1= 3 -0.153505832835819E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134160532992681E+02 read= 0.124758729390576E+02)
|
|
Weight for this step= 0.64258E+00 0.87166E+01
|
|
|
|
Lanczos iteration: 153 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000153)= 0.000000
|
|
beta (00000153)= 12.475873
|
|
gamma(00000153)= 12.475873
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124758729390576E+02 read= 0.134723359775316E+02)
|
|
Weight for this step=-0.45830E+00 -0.68587E+01
|
|
|
|
Lanczos iteration: 154 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000154)= 0.000000
|
|
beta (00000154)= 13.472336
|
|
gamma(00000154)= 13.472336
|
|
z1= 1 0.440324164972632E-07 0.000000000000000E+00
|
|
z1= 2 0.123654197234357E-01 0.000000000000000E+00
|
|
z1= 3 0.148534337551473E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134723359775316E+02 read= 0.127645468306784E+02)
|
|
Weight for this step=-0.61681E+00 -0.84052E+01
|
|
|
|
Lanczos iteration: 155 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000155)= 0.000000
|
|
beta (00000155)= 12.764547
|
|
gamma(00000155)= 12.764547
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127645468306784E+02 read= 0.134168906912014E+02)
|
|
Weight for this step= 0.45274E+00 0.68079E+01
|
|
|
|
Lanczos iteration: 156 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000156)= 0.000000
|
|
beta (00000156)= 13.416891
|
|
gamma(00000156)= 13.416891
|
|
z1= 1 -0.429816047124547E-07 0.000000000000000E+00
|
|
z1= 2 -0.117641995283079E-01 0.000000000000000E+00
|
|
z1= 3 -0.147676973339701E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134168906912014E+02 read= 0.128662420143197E+02)
|
|
Weight for this step= 0.60840E+00 0.83287E+01
|
|
|
|
Lanczos iteration: 157 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000157)= 0.000000
|
|
beta (00000157)= 12.866242
|
|
gamma(00000157)= 12.866242
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128662420143197E+02 read= 0.134701235438022E+02)
|
|
Weight for this step=-0.44181E+00 -0.66755E+01
|
|
|
|
Lanczos iteration: 158 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000158)= 0.000000
|
|
beta (00000158)= 13.470124
|
|
gamma(00000158)= 13.470124
|
|
z1= 1 0.420339650551715E-07 0.000000000000000E+00
|
|
z1= 2 0.112367965849577E-01 0.000000000000000E+00
|
|
z1= 3 0.147343916346272E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134701235438022E+02 read= 0.126257899408546E+02)
|
|
Weight for this step=-0.60210E+00 -0.82798E+01
|
|
|
|
Lanczos iteration: 159 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000159)= 0.000000
|
|
beta (00000159)= 12.625790
|
|
gamma(00000159)= 12.625790
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126257899408546E+02 read= 0.132517048392224E+02)
|
|
Weight for this step= 0.44080E+00 0.66926E+01
|
|
|
|
Lanczos iteration: 160 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000160)= 0.000000
|
|
beta (00000160)= 13.251705
|
|
gamma(00000160)= 13.251705
|
|
z1= 1 -0.409556281440876E-07 0.000000000000000E+00
|
|
z1= 2 -0.107060514108246E-01 0.000000000000000E+00
|
|
z1= 3 -0.146895202350150E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132517048392224E+02 read= 0.125585538237470E+02)
|
|
Weight for this step= 0.59493E+00 0.82193E+01
|
|
|
|
Lanczos iteration: 161 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000161)= 0.000000
|
|
beta (00000161)= 12.558554
|
|
gamma(00000161)= 12.558554
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125585538237470E+02 read= 0.134096691220254E+02)
|
|
Weight for this step=-0.43477E+00 -0.66335E+01
|
|
|
|
Lanczos iteration: 162 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000162)= 0.000000
|
|
beta (00000162)= 13.409669
|
|
gamma(00000162)= 13.409669
|
|
z1= 1 0.391573467721854E-07 0.000000000000000E+00
|
|
z1= 2 0.100265354543167E-01 0.000000000000000E+00
|
|
z1= 3 0.144024281802633E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134096691220254E+02 read= 0.126302775831134E+02)
|
|
Weight for this step=-0.57790E+00 -0.80215E+01
|
|
|
|
Lanczos iteration: 163 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000163)= 0.000000
|
|
beta (00000163)= 12.630278
|
|
gamma(00000163)= 12.630278
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126302775831134E+02 read= 0.131704920980733E+02)
|
|
Weight for this step= 0.43229E+00 0.66270E+01
|
|
|
|
Lanczos iteration: 164 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000164)= 0.000000
|
|
beta (00000164)= 13.170492
|
|
gamma(00000164)= 13.170492
|
|
z1= 1 -0.382509289073747E-07 0.000000000000000E+00
|
|
z1= 2 -0.961527671418390E-02 0.000000000000000E+00
|
|
z1= 3 -0.144759285865617E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131704920980733E+02 read= 0.127235583660839E+02)
|
|
Weight for this step= 0.57518E+00 0.80219E+01
|
|
|
|
Lanczos iteration: 165 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000165)= 0.000000
|
|
beta (00000165)= 12.723558
|
|
gamma(00000165)= 12.723558
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127235583660839E+02 read= 0.134146102191414E+02)
|
|
Weight for this step=-0.41851E+00 -0.64471E+01
|
|
|
|
Lanczos iteration: 166 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000166)= 0.000000
|
|
beta (00000166)= 13.414610
|
|
gamma(00000166)= 13.414610
|
|
z1= 1 0.368481577347167E-07 0.000000000000000E+00
|
|
z1= 2 0.911994701898956E-02 0.000000000000000E+00
|
|
z1= 3 0.143839262700543E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134146102191414E+02 read= 0.127361328981409E+02)
|
|
Weight for this step=-0.56549E+00 -0.79233E+01
|
|
|
|
Lanczos iteration: 167 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000167)= 0.000000
|
|
beta (00000167)= 12.736133
|
|
gamma(00000167)= 12.736133
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127361328981409E+02 read= 0.134784856385094E+02)
|
|
Weight for this step= 0.41236E+00 0.63832E+01
|
|
|
|
Lanczos iteration: 168 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000168)= 0.000000
|
|
beta (00000168)= 13.478486
|
|
gamma(00000168)= 13.478486
|
|
z1= 1 -0.352635213490653E-07 0.000000000000000E+00
|
|
z1= 2 -0.861764892385198E-02 0.000000000000000E+00
|
|
z1= 3 -0.142596516359325E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134784856385094E+02 read= 0.126667865457475E+02)
|
|
Weight for this step= 0.55390E+00 0.77969E+01
|
|
|
|
Lanczos iteration: 169 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000169)= 0.000000
|
|
beta (00000169)= 12.666787
|
|
gamma(00000169)= 12.666787
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126667865457475E+02 read= 0.133512344341060E+02)
|
|
Weight for this step=-0.41078E+00 -0.63893E+01
|
|
|
|
Lanczos iteration: 170 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000170)= 0.000000
|
|
beta (00000170)= 13.351234
|
|
gamma(00000170)= 13.351234
|
|
z1= 1 0.337891937407173E-07 0.000000000000000E+00
|
|
z1= 2 0.817586718167256E-02 0.000000000000000E+00
|
|
z1= 3 0.142209413279862E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133512344341060E+02 read= 0.127481598857631E+02)
|
|
Weight for this step=-0.54516E+00 -0.77105E+01
|
|
|
|
Lanczos iteration: 171 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000171)= 0.000000
|
|
beta (00000171)= 12.748160
|
|
gamma(00000171)= 12.748160
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127481598857631E+02 read= 0.133872137398988E+02)
|
|
Weight for this step= 0.40282E+00 0.62956E+01
|
|
|
|
Lanczos iteration: 172 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000172)= 0.000000
|
|
beta (00000172)= 13.387214
|
|
gamma(00000172)= 13.387214
|
|
z1= 1 -0.323920838784554E-07 0.000000000000000E+00
|
|
z1= 2 -0.778558287495552E-02 0.000000000000000E+00
|
|
z1= 3 -0.142419111145270E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133872137398988E+02 read= 0.128260110691530E+02)
|
|
Weight for this step= 0.53836E+00 0.76503E+01
|
|
|
|
Lanczos iteration: 173 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000173)= 0.000000
|
|
beta (00000173)= 12.826011
|
|
gamma(00000173)= 12.826011
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128260110691530E+02 read= 0.134741204220717E+02)
|
|
Weight for this step=-0.39357E+00 -0.61806E+01
|
|
|
|
Lanczos iteration: 174 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000174)= 0.000000
|
|
beta (00000174)= 13.474120
|
|
gamma(00000174)= 13.474120
|
|
z1= 1 0.309313345331873E-07 0.000000000000000E+00
|
|
z1= 2 0.741109393459270E-02 0.000000000000000E+00
|
|
z1= 3 0.142682078042335E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134741204220717E+02 read= 0.128040638575667E+02)
|
|
Weight for this step=-0.53113E+00 -0.75826E+01
|
|
|
|
Lanczos iteration: 175 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000175)= 0.000000
|
|
beta (00000175)= 12.804064
|
|
gamma(00000175)= 12.804064
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128040638575667E+02 read= 0.133599679306933E+02)
|
|
Weight for this step= 0.38760E+00 0.61163E+01
|
|
|
|
Lanczos iteration: 176 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000176)= 0.000000
|
|
beta (00000176)= 13.359968
|
|
gamma(00000176)= 13.359968
|
|
z1= 1 -0.295751990458601E-07 0.000000000000000E+00
|
|
z1= 2 -0.710272064163750E-02 0.000000000000000E+00
|
|
z1= 3 -0.144041567359896E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133599679306933E+02 read= 0.127550121692090E+02)
|
|
Weight for this step= 0.52756E+00 0.75668E+01
|
|
|
|
Lanczos iteration: 177 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000177)= 0.000000
|
|
beta (00000177)= 12.755012
|
|
gamma(00000177)= 12.755012
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127550121692090E+02 read= 0.132886584105948E+02)
|
|
Weight for this step=-0.37950E+00 -0.60180E+01
|
|
|
|
Lanczos iteration: 178 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000178)= 0.000000
|
|
beta (00000178)= 13.288658
|
|
gamma(00000178)= 13.288658
|
|
z1= 1 0.282437978887853E-07 0.000000000000000E+00
|
|
z1= 2 0.681748942740134E-02 0.000000000000000E+00
|
|
z1= 3 0.145517026790528E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132886584105948E+02 read= 0.126903502305079E+02)
|
|
Weight for this step=-0.52462E+00 -0.75594E+01
|
|
|
|
Lanczos iteration: 179 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000179)= 0.000000
|
|
beta (00000179)= 12.690350
|
|
gamma(00000179)= 12.690350
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126903502305079E+02 read= 0.134378142423683E+02)
|
|
Weight for this step= 0.37093E+00 0.59118E+01
|
|
|
|
Lanczos iteration: 180 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000180)= 0.000000
|
|
beta (00000180)= 13.437814
|
|
gamma(00000180)= 13.437814
|
|
z1= 1 -0.265502560295190E-07 0.000000000000000E+00
|
|
z1= 2 -0.643827388636832E-02 0.000000000000000E+00
|
|
z1= 3 -0.144607997369997E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134378142423683E+02 read= 0.127577328720234E+02)
|
|
Weight for this step= 0.51307E+00 0.74270E+01
|
|
|
|
Lanczos iteration: 181 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000181)= 0.000000
|
|
beta (00000181)= 12.757733
|
|
gamma(00000181)= 12.757733
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127577328720234E+02 read= 0.134696478691862E+02)
|
|
Weight for this step=-0.36496E+00 -0.58458E+01
|
|
|
|
Lanczos iteration: 182 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000182)= 0.000000
|
|
beta (00000182)= 13.469648
|
|
gamma(00000182)= 13.469648
|
|
z1= 1 0.249960160310977E-07 0.000000000000000E+00
|
|
z1= 2 0.609799002890883E-02 0.000000000000000E+00
|
|
z1= 3 0.144193202030211E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134696478691862E+02 read= 0.128150213328259E+02)
|
|
Weight for this step=-0.50325E+00 -0.73185E+01
|
|
|
|
Lanczos iteration: 183 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000183)= 0.000000
|
|
beta (00000183)= 12.815021
|
|
gamma(00000183)= 12.815021
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128150213328259E+02 read= 0.135745829691301E+02)
|
|
Weight for this step= 0.35847E+00 0.57705E+01
|
|
|
|
Lanczos iteration: 184 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000184)= 0.000000
|
|
beta (00000184)= 13.574583
|
|
gamma(00000184)= 13.574583
|
|
z1= 1 -0.234039973252137E-07 0.000000000000000E+00
|
|
z1= 2 -0.575677886278619E-02 0.000000000000000E+00
|
|
z1= 3 -0.143286645210147E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135745829691301E+02 read= 0.127933599001138E+02)
|
|
Weight for this step= 0.49195E+00 0.71873E+01
|
|
|
|
Lanczos iteration: 185 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000185)= 0.000000
|
|
beta (00000185)= 12.793360
|
|
gamma(00000185)= 12.793360
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127933599001138E+02 read= 0.132925273142611E+02)
|
|
Weight for this step=-0.35575E+00 -0.57551E+01
|
|
|
|
Lanczos iteration: 186 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000186)= 0.000000
|
|
beta (00000186)= 13.292527
|
|
gamma(00000186)= 13.292527
|
|
z1= 1 0.223193284544336E-07 0.000000000000000E+00
|
|
z1= 2 0.554059751887633E-02 0.000000000000000E+00
|
|
z1= 3 0.145169716150211E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132925273142611E+02 read= 0.127971115102445E+02)
|
|
Weight for this step=-0.49057E+00 -0.72009E+01
|
|
|
|
Lanczos iteration: 187 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000187)= 0.000000
|
|
beta (00000187)= 12.797112
|
|
gamma(00000187)= 12.797112
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127971115102445E+02 read= 0.134819379522350E+02)
|
|
Weight for this step= 0.34499E+00 0.56095E+01
|
|
|
|
Lanczos iteration: 188 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000188)= 0.000000
|
|
beta (00000188)= 13.481938
|
|
gamma(00000188)= 13.481938
|
|
z1= 1 -0.209641655231265E-07 0.000000000000000E+00
|
|
z1= 2 -0.525915818138659E-02 0.000000000000000E+00
|
|
z1= 3 -0.144628943302919E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134819379522350E+02 read= 0.130675523987888E+02)
|
|
Weight for this step= 0.48198E+00 0.71075E+01
|
|
|
|
Lanczos iteration: 189 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000189)= 0.000000
|
|
beta (00000189)= 13.067552
|
|
gamma(00000189)= 13.067552
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130675523987888E+02 read= 0.136084674465202E+02)
|
|
Weight for this step=-0.33233E+00 -0.54313E+01
|
|
|
|
Lanczos iteration: 190 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000190)= 0.000000
|
|
beta (00000190)= 13.608467
|
|
gamma(00000190)= 13.608467
|
|
z1= 1 0.198937735811609E-07 0.000000000000000E+00
|
|
z1= 2 0.505011496547033E-02 0.000000000000000E+00
|
|
z1= 3 0.145317383679023E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136084674465202E+02 read= 0.128043334639261E+02)
|
|
Weight for this step=-0.47841E+00 -0.70863E+01
|
|
|
|
Lanczos iteration: 191 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000191)= 0.000000
|
|
beta (00000191)= 12.804333
|
|
gamma(00000191)= 12.804333
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128043334639261E+02 read= 0.134596828114964E+02)
|
|
Weight for this step= 0.32929E+00 0.54101E+01
|
|
|
|
Lanczos iteration: 192 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000192)= 0.000000
|
|
beta (00000192)= 13.459683
|
|
gamma(00000192)= 13.459683
|
|
z1= 1 -0.186690863955129E-07 0.000000000000000E+00
|
|
z1= 2 -0.480422584652686E-02 0.000000000000000E+00
|
|
z1= 3 -0.144632707240974E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134596828114964E+02 read= 0.126694014150961E+02)
|
|
Weight for this step= 0.47073E+00 0.70044E+01
|
|
|
|
Lanczos iteration: 193 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000193)= 0.000000
|
|
beta (00000193)= 12.669401
|
|
gamma(00000193)= 12.669401
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126694014150961E+02 read= 0.132062405628334E+02)
|
|
Weight for this step=-0.32606E+00 -0.53857E+01
|
|
|
|
Lanczos iteration: 194 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000194)= 0.000000
|
|
beta (00000194)= 13.206241
|
|
gamma(00000194)= 13.206241
|
|
z1= 1 0.176585155848858E-07 0.000000000000000E+00
|
|
z1= 2 0.460893207637952E-02 0.000000000000000E+00
|
|
z1= 3 0.145266343301045E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132062405628334E+02 read= 0.127602279102420E+02)
|
|
Weight for this step=-0.46735E+00 -0.69866E+01
|
|
|
|
Lanczos iteration: 195 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000195)= 0.000000
|
|
beta (00000195)= 12.760228
|
|
gamma(00000195)= 12.760228
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127602279102420E+02 read= 0.131868776174851E+02)
|
|
Weight for this step= 0.31403E+00 0.52155E+01
|
|
|
|
Lanczos iteration: 196 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000196)= 0.000000
|
|
beta (00000196)= 13.186878
|
|
gamma(00000196)= 13.186878
|
|
z1= 1 -0.168239124203121E-07 0.000000000000000E+00
|
|
z1= 2 -0.445981417461901E-02 0.000000000000000E+00
|
|
z1= 3 -0.147057863932108E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131868776174851E+02 read= 0.128654748926418E+02)
|
|
Weight for this step= 0.46742E+00 0.70195E+01
|
|
|
|
Lanczos iteration: 197 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000197)= 0.000000
|
|
beta (00000197)= 12.865475
|
|
gamma(00000197)= 12.865475
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128654748926418E+02 read= 0.134805333912712E+02)
|
|
Weight for this step=-0.29864E+00 -0.49886E+01
|
|
|
|
Lanczos iteration: 198 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000198)= 0.000000
|
|
beta (00000198)= 13.480533
|
|
gamma(00000198)= 13.480533
|
|
z1= 1 0.157869791484258E-07 0.000000000000000E+00
|
|
z1= 2 0.425633212158802E-02 0.000000000000000E+00
|
|
z1= 3 0.146536526005395E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134805333912712E+02 read= 0.127319242964400E+02)
|
|
Weight for this step=-0.46023E+00 -0.69415E+01
|
|
|
|
Lanczos iteration: 199 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000199)= 0.000000
|
|
beta (00000199)= 12.731924
|
|
gamma(00000199)= 12.731924
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127319242964400E+02 read= 0.134325364026580E+02)
|
|
Weight for this step= 0.29308E+00 0.49250E+01
|
|
|
|
Lanczos iteration: 200 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000200)= 0.000000
|
|
beta (00000200)= 13.432536
|
|
gamma(00000200)= 13.432536
|
|
z1= 1 -0.146564055048242E-07 0.000000000000000E+00
|
|
z1= 2 -0.403433102491645E-02 0.000000000000000E+00
|
|
z1= 3 -0.145201766998189E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134325364026580E+02 read= 0.125949625058012E+02)
|
|
Weight for this step= 0.45014E+00 0.68195E+01
|
|
|
|
Lanczos iteration: 201 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000201)= 0.000000
|
|
beta (00000201)= 12.594963
|
|
gamma(00000201)= 12.594963
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125949625058012E+02 read= 0.134582929146576E+02)
|
|
Weight for this step=-0.28972E+00 -0.48980E+01
|
|
|
|
Lanczos iteration: 202 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000202)= 0.000000
|
|
beta (00000202)= 13.458293
|
|
gamma(00000202)= 13.458293
|
|
z1= 1 0.133358096789885E-07 0.000000000000000E+00
|
|
z1= 2 0.377553440967772E-02 0.000000000000000E+00
|
|
z1= 3 0.142283360194805E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134582929146576E+02 read= 0.127988394627673E+02)
|
|
Weight for this step=-0.43499E+00 -0.66203E+01
|
|
|
|
Lanczos iteration: 203 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000203)= 0.000000
|
|
beta (00000203)= 12.798839
|
|
gamma(00000203)= 12.798839
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127988394627673E+02 read= 0.135715615260878E+02)
|
|
Weight for this step= 0.28292E+00 0.48117E+01
|
|
|
|
Lanczos iteration: 204 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000204)= 0.000000
|
|
beta (00000204)= 13.571562
|
|
gamma(00000204)= 13.571562
|
|
z1= 1 -0.121403799434273E-07 0.000000000000000E+00
|
|
z1= 2 -0.356056734538104E-02 0.000000000000000E+00
|
|
z1= 3 -0.140634652865887E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135715615260878E+02 read= 0.128031486051030E+02)
|
|
Weight for this step= 0.42351E+00 0.64754E+01
|
|
|
|
Lanczos iteration: 205 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000205)= 0.000000
|
|
beta (00000205)= 12.803149
|
|
gamma(00000205)= 12.803149
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128031486051030E+02 read= 0.134701247826036E+02)
|
|
Weight for this step=-0.27875E+00 -0.47694E+01
|
|
|
|
Lanczos iteration: 206 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000206)= 0.000000
|
|
beta (00000206)= 13.470125
|
|
gamma(00000206)= 13.470125
|
|
z1= 1 0.110187661874536E-07 0.000000000000000E+00
|
|
z1= 2 0.338426507379223E-02 0.000000000000000E+00
|
|
z1= 3 0.140279960571038E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134701247826036E+02 read= 0.127384515257111E+02)
|
|
Weight for this step=-0.41574E+00 -0.63866E+01
|
|
|
|
Lanczos iteration: 207 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000207)= 0.000000
|
|
beta (00000207)= 12.738452
|
|
gamma(00000207)= 12.738452
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127384515257111E+02 read= 0.133202078217944E+02)
|
|
Weight for this step= 0.27390E+00 0.47151E+01
|
|
|
|
Lanczos iteration: 208 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000208)= 0.000000
|
|
beta (00000208)= 13.320208
|
|
gamma(00000208)= 13.320208
|
|
z1= 1 -0.996633406054673E-08 0.000000000000000E+00
|
|
z1= 2 -0.323645825721435E-02 0.000000000000000E+00
|
|
z1= 3 -0.140996397092041E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133202078217944E+02 read= 0.127498360686895E+02)
|
|
Weight for this step= 0.41069E+00 0.63394E+01
|
|
|
|
Lanczos iteration: 209 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000209)= 0.000000
|
|
beta (00000209)= 12.749836
|
|
gamma(00000209)= 12.749836
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127498360686895E+02 read= 0.134357074980504E+02)
|
|
Weight for this step=-0.26556E+00 -0.46006E+01
|
|
|
|
Lanczos iteration: 210 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000210)= 0.000000
|
|
beta (00000210)= 13.435707
|
|
gamma(00000210)= 13.435707
|
|
z1= 1 0.882610023771307E-08 0.000000000000000E+00
|
|
z1= 2 0.307124222737252E-02 0.000000000000000E+00
|
|
z1= 3 0.140706498884063E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134357074980504E+02 read= 0.127510616645224E+02)
|
|
Weight for this step=-0.40232E+00 -0.62399E+01
|
|
|
|
Lanczos iteration: 211 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000211)= 0.000000
|
|
beta (00000211)= 12.751062
|
|
gamma(00000211)= 12.751062
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127510616645224E+02 read= 0.135379737967882E+02)
|
|
Weight for this step= 0.25966E+00 0.45272E+01
|
|
|
|
Lanczos iteration: 212 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000212)= 0.000000
|
|
beta (00000212)= 13.537974
|
|
gamma(00000212)= 13.537974
|
|
z1= 1 -0.761060750618242E-08 0.000000000000000E+00
|
|
z1= 2 -0.289272232431131E-02 0.000000000000000E+00
|
|
z1= 3 -0.139628822423893E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135379737967882E+02 read= 0.126724335853792E+02)
|
|
Weight for this step= 0.39115E+00 0.60962E+01
|
|
|
|
Lanczos iteration: 213 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000213)= 0.000000
|
|
beta (00000213)= 12.672434
|
|
gamma(00000213)= 12.672434
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126724335853792E+02 read= 0.134393780181215E+02)
|
|
Weight for this step=-0.25767E+00 -0.45215E+01
|
|
|
|
Lanczos iteration: 214 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000214)= 0.000000
|
|
beta (00000214)= 13.439378
|
|
gamma(00000214)= 13.439378
|
|
z1= 1 0.636216423511096E-08 0.000000000000000E+00
|
|
z1= 2 0.272764345837648E-02 0.000000000000000E+00
|
|
z1= 3 0.139227512637168E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134393780181215E+02 read= 0.124793017570026E+02)
|
|
Weight for this step=-0.38104E+00 -0.59685E+01
|
|
|
|
Lanczos iteration: 215 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000215)= 0.000000
|
|
beta (00000215)= 12.479302
|
|
gamma(00000215)= 12.479302
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124793017570026E+02 read= 0.132194333599399E+02)
|
|
Weight for this step= 0.25798E+00 0.45563E+01
|
|
|
|
Lanczos iteration: 216 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000216)= 0.000000
|
|
beta (00000216)= 13.219433
|
|
gamma(00000216)= 13.219433
|
|
z1= 1 -0.513374466310119E-08 0.000000000000000E+00
|
|
z1= 2 -0.257492775036371E-02 0.000000000000000E+00
|
|
z1= 3 -0.139442466332257E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132194333599399E+02 read= 0.126442895326406E+02)
|
|
Weight for this step= 0.37214E+00 0.58600E+01
|
|
|
|
Lanczos iteration: 217 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000217)= 0.000000
|
|
beta (00000217)= 12.644290
|
|
gamma(00000217)= 12.644290
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126442895326406E+02 read= 0.136848608341241E+02)
|
|
Weight for this step=-0.25092E+00 -0.44601E+01
|
|
|
|
Lanczos iteration: 218 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000218)= 0.000000
|
|
beta (00000218)= 13.684861
|
|
gamma(00000218)= 13.684861
|
|
z1= 1 0.390381493125570E-08 0.000000000000000E+00
|
|
z1= 2 0.237913504535191E-02 0.000000000000000E+00
|
|
z1= 3 0.136595463228286E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136848608341241E+02 read= 0.125817534428469E+02)
|
|
Weight for this step=-0.35552E+00 -0.56278E+01
|
|
|
|
Lanczos iteration: 219 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000219)= 0.000000
|
|
beta (00000219)= 12.581753
|
|
gamma(00000219)= 12.581753
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125817534428469E+02 read= 0.135810873797493E+02)
|
|
Weight for this step= 0.25487E+00 0.45583E+01
|
|
|
|
Lanczos iteration: 220 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000220)= 0.000000
|
|
beta (00000220)= 13.581087
|
|
gamma(00000220)= 13.581087
|
|
z1= 1 -0.272392417345960E-08 0.000000000000000E+00
|
|
z1= 2 -0.220407171464687E-02 0.000000000000000E+00
|
|
z1= 3 -0.134725164885438E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135810873797493E+02 read= 0.125679490561548E+02)
|
|
Weight for this step= 0.34131E+00 0.54334E+01
|
|
|
|
Lanczos iteration: 221 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000221)= 0.000000
|
|
beta (00000221)= 12.567949
|
|
gamma(00000221)= 12.567949
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125679490561548E+02 read= 0.134924994965987E+02)
|
|
Weight for this step=-0.25807E+00 -0.46427E+01
|
|
|
|
Lanczos iteration: 222 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000222)= 0.000000
|
|
beta (00000222)= 13.492499
|
|
gamma(00000222)= 13.492499
|
|
z1= 1 0.151835745842641E-08 0.000000000000000E+00
|
|
z1= 2 0.205304147187669E-02 0.000000000000000E+00
|
|
z1= 3 0.134022195340071E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134924994965987E+02 read= 0.126096630190219E+02)
|
|
Weight for this step=-0.33010E+00 -0.52863E+01
|
|
|
|
Lanczos iteration: 223 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000223)= 0.000000
|
|
beta (00000223)= 12.609663
|
|
gamma(00000223)= 12.609663
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126096630190219E+02 read= 0.134279181195013E+02)
|
|
Weight for this step= 0.25942E+00 0.46933E+01
|
|
|
|
Lanczos iteration: 224 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000224)= 0.000000
|
|
beta (00000224)= 13.427918
|
|
gamma(00000224)= 13.427918
|
|
z1= 1 -0.326856076384406E-09 0.000000000000000E+00
|
|
z1= 2 -0.192793558123081E-02 0.000000000000000E+00
|
|
z1= 3 -0.134636805078554E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134279181195013E+02 read= 0.128963522741567E+02)
|
|
Weight for this step= 0.32228E+00 0.51930E+01
|
|
|
|
Lanczos iteration: 225 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000225)= 0.000000
|
|
beta (00000225)= 12.896352
|
|
gamma(00000225)= 12.896352
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128963522741567E+02 read= 0.133089826710072E+02)
|
|
Weight for this step=-0.25416E+00 -0.46232E+01
|
|
|
|
Lanczos iteration: 226 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000226)= 0.000000
|
|
beta (00000226)= 13.308983
|
|
gamma(00000226)= 13.308983
|
|
z1= 1 -0.774031339240491E-09 0.000000000000000E+00
|
|
z1= 2 0.186816205506043E-02 0.000000000000000E+00
|
|
z1= 3 0.139312961001346E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133089826710072E+02 read= 0.129317184664295E+02)
|
|
Weight for this step=-0.32444E+00 -0.52594E+01
|
|
|
|
Lanczos iteration: 227 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000227)= 0.000000
|
|
beta (00000227)= 12.931718
|
|
gamma(00000227)= 12.931718
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129317184664295E+02 read= 0.133727096931262E+02)
|
|
Weight for this step= 0.24555E+00 0.44918E+01
|
|
|
|
Lanczos iteration: 228 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000228)= 0.000000
|
|
beta (00000228)= 13.372710
|
|
gamma(00000228)= 13.372710
|
|
z1= 1 0.186433540827480E-08 0.000000000000000E+00
|
|
z1= 2 -0.180655576170365E-02 0.000000000000000E+00
|
|
z1= 3 -0.143332505032570E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133727096931262E+02 read= 0.127538493832524E+02)
|
|
Weight for this step= 0.32543E+00 0.53059E+01
|
|
|
|
Lanczos iteration: 229 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000229)= 0.000000
|
|
beta (00000229)= 12.753849
|
|
gamma(00000229)= 12.753849
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127538493832524E+02 read= 0.134836691629252E+02)
|
|
Weight for this step=-0.24118E+00 -0.44374E+01
|
|
|
|
Lanczos iteration: 230 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000230)= 0.000000
|
|
beta (00000230)= 13.483669
|
|
gamma(00000230)= 13.483669
|
|
z1= 1 -0.289365255281421E-08 0.000000000000000E+00
|
|
z1= 2 0.170877376245379E-02 0.000000000000000E+00
|
|
z1= 3 0.144142226571114E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134836691629252E+02 read= 0.130327078628738E+02)
|
|
Weight for this step=-0.31919E+00 -0.52341E+01
|
|
|
|
Lanczos iteration: 231 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000231)= 0.000000
|
|
beta (00000231)= 13.032708
|
|
gamma(00000231)= 13.032708
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130327078628738E+02 read= 0.136131484590962E+02)
|
|
Weight for this step= 0.23390E+00 0.43280E+01
|
|
|
|
Lanczos iteration: 232 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000232)= 0.000000
|
|
beta (00000232)= 13.613148
|
|
gamma(00000232)= 13.613148
|
|
z1= 1 0.390549491466503E-08 0.000000000000000E+00
|
|
z1= 2 -0.163591466858081E-02 0.000000000000000E+00
|
|
z1= 3 -0.146382072549727E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136131484590962E+02 read= 0.126973209294726E+02)
|
|
Weight for this step= 0.31651E+00 0.52191E+01
|
|
|
|
Lanczos iteration: 233 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000233)= 0.000000
|
|
beta (00000233)= 12.697321
|
|
gamma(00000233)= 12.697321
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126973209294726E+02 read= 0.133178358496714E+02)
|
|
Weight for this step=-0.23486E+00 -0.43711E+01
|
|
|
|
Lanczos iteration: 234 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000234)= 0.000000
|
|
beta (00000234)= 13.317836
|
|
gamma(00000234)= 13.317836
|
|
z1= 1 -0.495753709459958E-08 0.000000000000000E+00
|
|
z1= 2 0.155969286561779E-02 0.000000000000000E+00
|
|
z1= 3 0.148252216312288E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133178358496714E+02 read= 0.126050051476875E+02)
|
|
Weight for this step=-0.31298E+00 -0.51908E+01
|
|
|
|
Lanczos iteration: 235 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000235)= 0.000000
|
|
beta (00000235)= 12.605005
|
|
gamma(00000235)= 12.605005
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126050051476875E+02 read= 0.135249854828794E+02)
|
|
Weight for this step= 0.23230E+00 0.43487E+01
|
|
|
|
Lanczos iteration: 236 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000236)= 0.000000
|
|
beta (00000236)= 13.524985
|
|
gamma(00000236)= 13.524985
|
|
z1= 1 0.582763982339904E-08 0.000000000000000E+00
|
|
z1= 2 -0.145360130883760E-02 0.000000000000000E+00
|
|
z1= 3 -0.146605609377027E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135249854828794E+02 read= 0.128812767075153E+02)
|
|
Weight for this step= 0.30261E+00 0.50482E+01
|
|
|
|
Lanczos iteration: 237 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000237)= 0.000000
|
|
beta (00000237)= 12.881277
|
|
gamma(00000237)= 12.881277
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128812767075153E+02 read= 0.134905905559561E+02)
|
|
Weight for this step=-0.22892E+00 -0.43094E+01
|
|
|
|
Lanczos iteration: 238 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000238)= 0.000000
|
|
beta (00000238)= 13.490591
|
|
gamma(00000238)= 13.490591
|
|
z1= 1 -0.678673965116838E-08 0.000000000000000E+00
|
|
z1= 2 0.138794818535771E-02 0.000000000000000E+00
|
|
z1= 3 0.148404695221507E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134905905559561E+02 read= 0.127129390577081E+02)
|
|
Weight for this step=-0.29973E+00 -0.50293E+01
|
|
|
|
Lanczos iteration: 239 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000239)= 0.000000
|
|
beta (00000239)= 12.712939
|
|
gamma(00000239)= 12.712939
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127129390577081E+02 read= 0.133993943672252E+02)
|
|
Weight for this step= 0.22789E+00 0.43141E+01
|
|
|
|
Lanczos iteration: 240 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000240)= 0.000000
|
|
beta (00000240)= 13.399394
|
|
gamma(00000240)= 13.399394
|
|
z1= 1 0.767572101928807E-08 0.000000000000000E+00
|
|
z1= 2 -0.131684315067761E-02 0.000000000000000E+00
|
|
z1= 3 -0.149424720868231E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133993943672252E+02 read= 0.127356220055936E+02)
|
|
Weight for this step= 0.29519E+00 0.49824E+01
|
|
|
|
Lanczos iteration: 241 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000241)= 0.000000
|
|
beta (00000241)= 12.735622
|
|
gamma(00000241)= 12.735622
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127356220055936E+02 read= 0.134711658836288E+02)
|
|
Weight for this step=-0.22498E+00 -0.42828E+01
|
|
|
|
Lanczos iteration: 242 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000242)= 0.000000
|
|
beta (00000242)= 13.471166
|
|
gamma(00000242)= 13.471166
|
|
z1= 1 -0.857231539832387E-08 0.000000000000000E+00
|
|
z1= 2 0.124494173351883E-02 0.000000000000000E+00
|
|
z1= 3 0.150031477082798E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134711658836288E+02 read= 0.129201013626967E+02)
|
|
Weight for this step=-0.28969E+00 -0.49185E+01
|
|
|
|
Lanczos iteration: 243 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000243)= 0.000000
|
|
beta (00000243)= 12.920101
|
|
gamma(00000243)= 12.920101
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129201013626967E+02 read= 0.133682132773590E+02)
|
|
Weight for this step= 0.22028E+00 0.42162E+01
|
|
|
|
Lanczos iteration: 244 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000244)= 0.000000
|
|
beta (00000244)= 13.368213
|
|
gamma(00000244)= 13.368213
|
|
z1= 1 0.973234590010211E-08 0.000000000000000E+00
|
|
z1= 2 -0.120321041069534E-02 0.000000000000000E+00
|
|
z1= 3 -0.153966298258962E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133682132773590E+02 read= 0.124181882223043E+02)
|
|
Weight for this step= 0.29045E+00 0.49601E+01
|
|
|
|
Lanczos iteration: 245 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000245)= 0.000000
|
|
beta (00000245)= 12.418188
|
|
gamma(00000245)= 12.418188
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124181882223043E+02 read= 0.131260457498064E+02)
|
|
Weight for this step=-0.22223E+00 -0.42773E+01
|
|
|
|
Lanczos iteration: 246 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000246)= 0.000000
|
|
beta (00000246)= 13.126046
|
|
gamma(00000246)= 13.126046
|
|
z1= 1 -0.107977328259179E-07 0.000000000000000E+00
|
|
z1= 2 0.113832403420280E-02 0.000000000000000E+00
|
|
z1= 3 0.155309561026038E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131260457498064E+02 read= 0.126296698510200E+02)
|
|
Weight for this step=-0.28554E+00 -0.49060E+01
|
|
|
|
Lanczos iteration: 247 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000247)= 0.000000
|
|
beta (00000247)= 12.629670
|
|
gamma(00000247)= 12.629670
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126296698510200E+02 read= 0.133740135546959E+02)
|
|
Weight for this step= 0.21655E+00 0.41911E+01
|
|
|
|
Lanczos iteration: 248 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000248)= 0.000000
|
|
beta (00000248)= 13.374014
|
|
gamma(00000248)= 13.374014
|
|
z1= 1 0.117680615009663E-07 0.000000000000000E+00
|
|
z1= 2 -0.107496950535201E-02 0.000000000000000E+00
|
|
z1= 3 -0.156370882709089E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133740135546959E+02 read= 0.128349904491207E+02)
|
|
Weight for this step= 0.27993E+00 0.48381E+01
|
|
|
|
Lanczos iteration: 249 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000249)= 0.000000
|
|
beta (00000249)= 12.834990
|
|
gamma(00000249)= 12.834990
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128349904491207E+02 read= 0.133396549243738E+02)
|
|
Weight for this step=-0.21174E+00 -0.41204E+01
|
|
|
|
Lanczos iteration: 250 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000250)= 0.000000
|
|
beta (00000250)= 13.339655
|
|
gamma(00000250)= 13.339655
|
|
z1= 1 -0.130383282608004E-07 0.000000000000000E+00
|
|
z1= 2 0.103430136780217E-02 0.000000000000000E+00
|
|
z1= 3 0.160497586359138E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133396549243738E+02 read= 0.125114688995603E+02)
|
|
Weight for this step=-0.27942E+00 -0.48572E+01
|
|
|
|
Lanczos iteration: 251 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000251)= 0.000000
|
|
beta (00000251)= 12.511469
|
|
gamma(00000251)= 12.511469
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125114688995603E+02 read= 0.134706984171575E+02)
|
|
Weight for this step= 0.21153E+00 0.41390E+01
|
|
|
|
Lanczos iteration: 252 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000252)= 0.000000
|
|
beta (00000252)= 13.470698
|
|
gamma(00000252)= 13.470698
|
|
z1= 1 0.140090604351314E-07 0.000000000000000E+00
|
|
z1= 2 -0.960650219853986E-03 0.000000000000000E+00
|
|
z1= 3 -0.159576699793100E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134706984171575E+02 read= 0.129299020711730E+02)
|
|
Weight for this step= 0.26950E+00 0.47125E+01
|
|
|
|
Lanczos iteration: 253 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000253)= 0.000000
|
|
beta (00000253)= 12.929902
|
|
gamma(00000253)= 12.929902
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129299020711730E+02 read= 0.134317763889548E+02)
|
|
Weight for this step=-0.20710E+00 -0.40735E+01
|
|
|
|
Lanczos iteration: 254 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000254)= 0.000000
|
|
beta (00000254)= 13.431776
|
|
gamma(00000254)= 13.431776
|
|
z1= 1 -0.154761319710005E-07 0.000000000000000E+00
|
|
z1= 2 0.924755810972056E-03 0.000000000000000E+00
|
|
z1= 3 0.164366771726279E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134317763889548E+02 read= 0.129226029298751E+02)
|
|
Weight for this step=-0.26922E+00 -0.47350E+01
|
|
|
|
Lanczos iteration: 255 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000255)= 0.000000
|
|
beta (00000255)= 12.922603
|
|
gamma(00000255)= 12.922603
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129226029298751E+02 read= 0.136262841608018E+02)
|
|
Weight for this step= 0.20198E+00 0.39941E+01
|
|
|
|
Lanczos iteration: 256 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000256)= 0.000000
|
|
beta (00000256)= 13.626284
|
|
gamma(00000256)= 13.626284
|
|
z1= 1 0.167898062492997E-07 0.000000000000000E+00
|
|
z1= 2 -0.877000069223843E-03 0.000000000000000E+00
|
|
z1= 3 -0.166699298348677E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136262841608018E+02 read= 0.127118320369744E+02)
|
|
Weight for this step= 0.26473E+00 0.46823E+01
|
|
|
|
Lanczos iteration: 257 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000257)= 0.000000
|
|
beta (00000257)= 12.711832
|
|
gamma(00000257)= 12.711832
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127118320369744E+02 read= 0.135893033181348E+02)
|
|
Weight for this step=-0.20325E+00 -0.40403E+01
|
|
|
|
Lanczos iteration: 258 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000258)= 0.000000
|
|
beta (00000258)= 13.589303
|
|
gamma(00000258)= 13.589303
|
|
z1= 1 -0.180023955178785E-07 0.000000000000000E+00
|
|
z1= 2 0.820371531593646E-03 0.000000000000000E+00
|
|
z1= 3 0.167287117204117E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135893033181348E+02 read= 0.129840213978945E+02)
|
|
Weight for this step=-0.25713E+00 -0.45746E+01
|
|
|
|
Lanczos iteration: 259 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000259)= 0.000000
|
|
beta (00000259)= 12.984021
|
|
gamma(00000259)= 12.984021
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129840213978945E+02 read= 0.134565205513194E+02)
|
|
Weight for this step= 0.20011E+00 0.39980E+01
|
|
|
|
Lanczos iteration: 260 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000260)= 0.000000
|
|
beta (00000260)= 13.456521
|
|
gamma(00000260)= 13.456521
|
|
z1= 1 0.197914844556404E-07 0.000000000000000E+00
|
|
z1= 2 -0.791565804831402E-03 0.000000000000000E+00
|
|
z1= 3 -0.173028551181886E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134565205513194E+02 read= 0.127321152198339E+02)
|
|
Weight for this step= 0.25753E+00 0.46085E+01
|
|
|
|
Lanczos iteration: 261 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000261)= 0.000000
|
|
beta (00000261)= 12.732115
|
|
gamma(00000261)= 12.732115
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127321152198339E+02 read= 0.132943335630684E+02)
|
|
Weight for this step=-0.19862E+00 -0.39885E+01
|
|
|
|
Lanczos iteration: 262 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000262)= 0.000000
|
|
beta (00000262)= 13.294334
|
|
gamma(00000262)= 13.294334
|
|
z1= 1 -0.215480303678364E-07 0.000000000000000E+00
|
|
z1= 2 0.758090428781824E-03 0.000000000000000E+00
|
|
z1= 3 0.177659174908256E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132943335630684E+02 read= 0.126258005180669E+02)
|
|
Weight for this step=-0.25612E+00 -0.46100E+01
|
|
|
|
Lanczos iteration: 263 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000263)= 0.000000
|
|
beta (00000263)= 12.625801
|
|
gamma(00000263)= 12.625801
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126258005180669E+02 read= 0.132968876934771E+02)
|
|
Weight for this step= 0.19622E+00 0.39606E+01
|
|
|
|
Lanczos iteration: 264 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000264)= 0.000000
|
|
beta (00000264)= 13.296888
|
|
gamma(00000264)= 13.296888
|
|
z1= 1 0.230907170042580E-07 0.000000000000000E+00
|
|
z1= 2 -0.719829989475711E-03 0.000000000000000E+00
|
|
z1= 3 -0.180745367115212E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132968876934771E+02 read= 0.127924355992039E+02)
|
|
Weight for this step= 0.25256E+00 0.45723E+01
|
|
|
|
Lanczos iteration: 265 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000265)= 0.000000
|
|
beta (00000265)= 12.792436
|
|
gamma(00000265)= 12.792436
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127924355992039E+02 read= 0.134478974335591E+02)
|
|
Weight for this step=-0.19140E+00 -0.38828E+01
|
|
|
|
Lanczos iteration: 266 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000266)= 0.000000
|
|
beta (00000266)= 13.447897
|
|
gamma(00000266)= 13.447897
|
|
z1= 1 -0.245679832597615E-07 0.000000000000000E+00
|
|
z1= 2 0.684744870210336E-03 0.000000000000000E+00
|
|
z1= 3 0.183927695564039E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134478974335591E+02 read= 0.127800428799697E+02)
|
|
Weight for this step=-0.24928E+00 -0.45385E+01
|
|
|
|
Lanczos iteration: 267 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000267)= 0.000000
|
|
beta (00000267)= 12.780043
|
|
gamma(00000267)= 12.780043
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127800428799697E+02 read= 0.132773770709659E+02)
|
|
Weight for this step= 0.18899E+00 0.38533E+01
|
|
|
|
Lanczos iteration: 268 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000268)= 0.000000
|
|
beta (00000268)= 13.277377
|
|
gamma(00000268)= 13.277377
|
|
z1= 1 0.264622177165511E-07 0.000000000000000E+00
|
|
z1= 2 -0.659096202235902E-03 0.000000000000000E+00
|
|
z1= 3 -0.189528179505227E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132773770709659E+02 read= 0.127067711263754E+02)
|
|
Weight for this step= 0.24897E+00 0.45585E+01
|
|
|
|
Lanczos iteration: 269 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000269)= 0.000000
|
|
beta (00000269)= 12.706771
|
|
gamma(00000269)= 12.706771
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127067711263754E+02 read= 0.136891927077641E+02)
|
|
Weight for this step=-0.18500E+00 -0.37914E+01
|
|
|
|
Lanczos iteration: 270 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000270)= 0.000000
|
|
beta (00000270)= 13.689193
|
|
gamma(00000270)= 13.689193
|
|
z1= 1 -0.274615357823485E-07 0.000000000000000E+00
|
|
z1= 2 0.611795360826850E-03 0.000000000000000E+00
|
|
z1= 3 0.188424315125983E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136891927077641E+02 read= 0.128502547285961E+02)
|
|
Weight for this step=-0.23967E+00 -0.44127E+01
|
|
|
|
Lanczos iteration: 271 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000271)= 0.000000
|
|
beta (00000271)= 12.850255
|
|
gamma(00000271)= 12.850255
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128502547285961E+02 read= 0.132635804345285E+02)
|
|
Weight for this step= 0.18522E+00 0.38142E+01
|
|
|
|
Lanczos iteration: 272 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000272)= 0.000000
|
|
beta (00000272)= 13.263580
|
|
gamma(00000272)= 13.263580
|
|
z1= 1 0.297732679118562E-07 0.000000000000000E+00
|
|
z1= 2 -0.592730316463634E-03 0.000000000000000E+00
|
|
z1= 3 -0.196026585116781E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132635804345285E+02 read= 0.128484490936166E+02)
|
|
Weight for this step= 0.24105E+00 0.44634E+01
|
|
|
|
Lanczos iteration: 273 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000273)= 0.000000
|
|
beta (00000273)= 12.848449
|
|
gamma(00000273)= 12.848449
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128484490936166E+02 read= 0.134540849705825E+02)
|
|
Weight for this step=-0.17927E+00 -0.37100E+01
|
|
|
|
Lanczos iteration: 274 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000274)= 0.000000
|
|
beta (00000274)= 13.454085
|
|
gamma(00000274)= 13.454085
|
|
z1= 1 -0.315510220979046E-07 0.000000000000000E+00
|
|
z1= 2 0.566048550605911E-03 0.000000000000000E+00
|
|
z1= 3 0.200501094100287E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134540849705825E+02 read= 0.130272673971234E+02)
|
|
Weight for this step=-0.23865E+00 -0.44430E+01
|
|
|
|
Lanczos iteration: 275 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000275)= 0.000000
|
|
beta (00000275)= 13.027267
|
|
gamma(00000275)= 13.027267
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130272673971234E+02 read= 0.136199408138213E+02)
|
|
Weight for this step= 0.17349E+00 0.36083E+01
|
|
|
|
Lanczos iteration: 276 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000276)= 0.000000
|
|
beta (00000276)= 13.619941
|
|
gamma(00000276)= 13.619941
|
|
z1= 1 0.332506772029312E-07 0.000000000000000E+00
|
|
z1= 2 -0.541416877598705E-03 0.000000000000000E+00
|
|
z1= 3 -0.204847932830463E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136199408138213E+02 read= 0.125752616478281E+02)
|
|
Weight for this step= 0.23634E+00 0.44231E+01
|
|
|
|
Lanczos iteration: 277 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000277)= 0.000000
|
|
beta (00000277)= 12.575262
|
|
gamma(00000277)= 12.575262
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125752616478281E+02 read= 0.131840848177788E+02)
|
|
Weight for this step=-0.17595E+00 -0.36778E+01
|
|
|
|
Lanczos iteration: 278 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000278)= 0.000000
|
|
beta (00000278)= 13.184085
|
|
gamma(00000278)= 13.184085
|
|
z1= 1 -0.350244696379134E-07 0.000000000000000E+00
|
|
z1= 2 0.516414979913749E-03 0.000000000000000E+00
|
|
z1= 3 0.209352291898843E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131840848177788E+02 read= 0.125787309572664E+02)
|
|
Weight for this step=-0.23388E+00 -0.44015E+01
|
|
|
|
Lanczos iteration: 279 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000279)= 0.000000
|
|
beta (00000279)= 12.578731
|
|
gamma(00000279)= 12.578731
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125787309572664E+02 read= 0.135131573650589E+02)
|
|
Weight for this step= 0.17260E+00 0.36257E+01
|
|
|
|
Lanczos iteration: 280 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000280)= 0.000000
|
|
beta (00000280)= 13.513157
|
|
gamma(00000280)= 13.513157
|
|
z1= 1 0.358608683772438E-07 0.000000000000000E+00
|
|
z1= 2 -0.480705205982026E-03 0.000000000000000E+00
|
|
z1= 3 -0.208519504916525E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135131573650589E+02 read= 0.127676000588211E+02)
|
|
Weight for this step= 0.22580E+00 0.42727E+01
|
|
|
|
Lanczos iteration: 281 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000281)= 0.000000
|
|
beta (00000281)= 12.767600
|
|
gamma(00000281)= 12.767600
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127676000588211E+02 read= 0.132406542335976E+02)
|
|
Weight for this step=-0.17144E+00 -0.36183E+01
|
|
|
|
Lanczos iteration: 282 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000282)= 0.000000
|
|
beta (00000282)= 13.240654
|
|
gamma(00000282)= 13.240654
|
|
z1= 1 -0.379282808216086E-07 0.000000000000000E+00
|
|
z1= 2 0.463530857908722E-03 0.000000000000000E+00
|
|
z1= 3 0.215113558460050E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132406542335976E+02 read= 0.125823334392785E+02)
|
|
Weight for this step=-0.22594E+00 -0.42990E+01
|
|
|
|
Lanczos iteration: 283 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000283)= 0.000000
|
|
beta (00000283)= 12.582333
|
|
gamma(00000283)= 12.582333
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125823334392785E+02 read= 0.132299298048006E+02)
|
|
Weight for this step= 0.16899E+00 0.35839E+01
|
|
|
|
Lanczos iteration: 284 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000284)= 0.000000
|
|
beta (00000284)= 13.229930
|
|
gamma(00000284)= 13.229930
|
|
z1= 1 0.394413046476277E-07 0.000000000000000E+00
|
|
z1= 2 -0.440841327176759E-03 0.000000000000000E+00
|
|
z1= 3 -0.218605691941118E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132299298048006E+02 read= 0.127298154579847E+02)
|
|
Weight for this step= 0.22297E+00 0.42659E+01
|
|
|
|
Lanczos iteration: 285 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000285)= 0.000000
|
|
beta (00000285)= 12.729815
|
|
gamma(00000285)= 12.729815
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127298154579847E+02 read= 0.133770441873878E+02)
|
|
Weight for this step=-0.16450E+00 -0.35054E+01
|
|
|
|
Lanczos iteration: 286 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000286)= 0.000000
|
|
beta (00000286)= 13.377044
|
|
gamma(00000286)= 13.377044
|
|
z1= 1 -0.408616283899266E-07 0.000000000000000E+00
|
|
z1= 2 0.419511863951592E-03 0.000000000000000E+00
|
|
z1= 3 0.221753782633761E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133770441873878E+02 read= 0.124800866790113E+02)
|
|
Weight for this step=-0.21997E+00 -0.42310E+01
|
|
|
|
Lanczos iteration: 287 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000287)= 0.000000
|
|
beta (00000287)= 12.480087
|
|
gamma(00000287)= 12.480087
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124800866790113E+02 read= 0.132319595759165E+02)
|
|
Weight for this step= 0.16513E+00 0.35354E+01
|
|
|
|
Lanczos iteration: 288 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000288)= 0.000000
|
|
beta (00000288)= 13.231960
|
|
gamma(00000288)= 13.231960
|
|
z1= 1 0.419190235700223E-07 0.000000000000000E+00
|
|
z1= 2 -0.395674155060123E-03 0.000000000000000E+00
|
|
z1= 3 -0.223173969322984E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132319595759165E+02 read= 0.128276264529846E+02)
|
|
Weight for this step= 0.21537E+00 0.41655E+01
|
|
|
|
Lanczos iteration: 289 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000289)= 0.000000
|
|
beta (00000289)= 12.827626
|
|
gamma(00000289)= 12.827626
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128276264529846E+02 read= 0.134054595145069E+02)
|
|
Weight for this step=-0.15966E+00 -0.34342E+01
|
|
|
|
Lanczos iteration: 290 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000290)= 0.000000
|
|
beta (00000290)= 13.405460
|
|
gamma(00000290)= 13.405460
|
|
z1= 1 -0.432654781194405E-07 0.000000000000000E+00
|
|
z1= 2 0.378618894243770E-03 0.000000000000000E+00
|
|
z1= 3 0.226928874094077E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134054595145069E+02 read= 0.126828542776880E+02)
|
|
Weight for this step=-0.21363E+00 -0.41537E+01
|
|
|
|
Lanczos iteration: 291 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000291)= 0.000000
|
|
beta (00000291)= 12.682854
|
|
gamma(00000291)= 12.682854
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126828542776880E+02 read= 0.131662866461783E+02)
|
|
Weight for this step= 0.15806E+00 0.34155E+01
|
|
|
|
Lanczos iteration: 292 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000292)= 0.000000
|
|
beta (00000292)= 13.166287
|
|
gamma(00000292)= 13.166287
|
|
z1= 1 0.447951721124426E-07 0.000000000000000E+00
|
|
z1= 2 -0.364716976890975E-03 0.000000000000000E+00
|
|
z1= 3 -0.232010660805403E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131662866461783E+02 read= 0.127932702401671E+02)
|
|
Weight for this step= 0.21338E+00 0.41710E+01
|
|
|
|
Lanczos iteration: 293 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000293)= 0.000000
|
|
beta (00000293)= 12.793270
|
|
gamma(00000293)= 12.793270
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127932702401671E+02 read= 0.135779459082123E+02)
|
|
Weight for this step=-0.15208E+00 -0.33016E+01
|
|
|
|
Lanczos iteration: 294 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000294)= 0.000000
|
|
beta (00000294)= 13.577946
|
|
gamma(00000294)= 13.577946
|
|
z1= 1 -0.451596627332879E-07 0.000000000000000E+00
|
|
z1= 2 0.343639816956526E-03 0.000000000000000E+00
|
|
z1= 3 0.231190149378995E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135779459082123E+02 read= 0.129772303925193E+02)
|
|
Weight for this step=-0.20814E+00 -0.40891E+01
|
|
|
|
Lanczos iteration: 295 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000295)= 0.000000
|
|
beta (00000295)= 12.977230
|
|
gamma(00000295)= 12.977230
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129772303925193E+02 read= 0.134931417417546E+02)
|
|
Weight for this step= 0.14893E+00 0.32482E+01
|
|
|
|
Lanczos iteration: 296 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000296)= 0.000000
|
|
beta (00000296)= 13.493142
|
|
gamma(00000296)= 13.493142
|
|
z1= 1 0.463843798934396E-07 0.000000000000000E+00
|
|
z1= 2 -0.330500721184103E-03 0.000000000000000E+00
|
|
z1= 3 -0.234831858882611E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134931417417546E+02 read= 0.127195507634157E+02)
|
|
Weight for this step= 0.20717E+00 0.40904E+01
|
|
|
|
Lanczos iteration: 297 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000297)= 0.000000
|
|
beta (00000297)= 12.719551
|
|
gamma(00000297)= 12.719551
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127195507634157E+02 read= 0.134612907803395E+02)
|
|
Weight for this step=-0.14765E+00 -0.32352E+01
|
|
|
|
Lanczos iteration: 298 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000298)= 0.000000
|
|
beta (00000298)= 13.461291
|
|
gamma(00000298)= 13.461291
|
|
z1= 1 -0.467949676386664E-07 0.000000000000000E+00
|
|
z1= 2 0.312289569332200E-03 0.000000000000000E+00
|
|
z1= 3 0.234307955371569E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134612907803395E+02 read= 0.131129459402009E+02)
|
|
Weight for this step=-0.20269E+00 -0.40223E+01
|
|
|
|
Lanczos iteration: 299 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000299)= 0.000000
|
|
beta (00000299)= 13.112946
|
|
gamma(00000299)= 13.112946
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.131129459402009E+02 read= 0.135262032997468E+02)
|
|
Weight for this step= 0.14176E+00 0.31203E+01
|
|
|
|
Lanczos iteration: 300 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000300)= 0.000000
|
|
beta (00000300)= 13.526203
|
|
gamma(00000300)= 13.526203
|
|
z1= 1 0.481629214565960E-07 0.000000000000000E+00
|
|
z1= 2 -0.302748387673558E-03 0.000000000000000E+00
|
|
z1= 3 -0.238994561750779E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135262032997468E+02 read= 0.126145712520187E+02)
|
|
Weight for this step= 0.20313E+00 0.40505E+01
|
|
|
|
Lanczos iteration: 301 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000301)= 0.000000
|
|
beta (00000301)= 12.614571
|
|
gamma(00000301)= 12.614571
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126145712520187E+02 read= 0.132695098574038E+02)
|
|
Weight for this step=-0.14179E+00 -0.31356E+01
|
|
|
|
Lanczos iteration: 302 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000302)= 0.000000
|
|
beta (00000302)= 13.269510
|
|
gamma(00000302)= 13.269510
|
|
z1= 1 -0.486474222979524E-07 0.000000000000000E+00
|
|
z1= 2 0.287805740285984E-03 0.000000000000000E+00
|
|
z1= 3 0.239415387952139E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132695098574038E+02 read= 0.129169805105910E+02)
|
|
Weight for this step=-0.19986E+00 -0.40052E+01
|
|
|
|
Lanczos iteration: 303 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000303)= 0.000000
|
|
beta (00000303)= 12.916981
|
|
gamma(00000303)= 12.916981
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129169805105910E+02 read= 0.135072603581506E+02)
|
|
Weight for this step= 0.13584E+00 0.30182E+01
|
|
|
|
Lanczos iteration: 304 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000304)= 0.000000
|
|
beta (00000304)= 13.507260
|
|
gamma(00000304)= 13.507260
|
|
z1= 1 0.492939155301644E-07 0.000000000000000E+00
|
|
z1= 2 -0.275228361602431E-03 0.000000000000000E+00
|
|
z1= 3 -0.240784291886086E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135072603581506E+02 read= 0.128318070310135E+02)
|
|
Weight for this step= 0.19749E+00 0.39765E+01
|
|
|
|
Lanczos iteration: 305 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000305)= 0.000000
|
|
beta (00000305)= 12.831807
|
|
gamma(00000305)= 12.831807
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128318070310135E+02 read= 0.134115393661870E+02)
|
|
Weight for this step=-0.13323E+00 -0.29742E+01
|
|
|
|
Lanczos iteration: 306 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000306)= 0.000000
|
|
beta (00000306)= 13.411539
|
|
gamma(00000306)= 13.411539
|
|
z1= 1 -0.500086107177444E-07 0.000000000000000E+00
|
|
z1= 2 0.263331235074249E-03 0.000000000000000E+00
|
|
z1= 3 0.242433870050742E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134115393661870E+02 read= 0.128873146022352E+02)
|
|
Weight for this step=-0.19523E+00 -0.39498E+01
|
|
|
|
Lanczos iteration: 307 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000307)= 0.000000
|
|
beta (00000307)= 12.887315
|
|
gamma(00000307)= 12.887315
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128873146022352E+02 read= 0.135265239962777E+02)
|
|
Weight for this step= 0.12904E+00 0.28946E+01
|
|
|
|
Lanczos iteration: 308 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000308)= 0.000000
|
|
beta (00000308)= 13.526524
|
|
gamma(00000308)= 13.526524
|
|
z1= 1 0.504013739745582E-07 0.000000000000000E+00
|
|
z1= 2 -0.250887254695419E-03 0.000000000000000E+00
|
|
z1= 3 -0.242990414068753E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135265239962777E+02 read= 0.127039361410875E+02)
|
|
Weight for this step= 0.19204E+00 0.39032E+01
|
|
|
|
Lanczos iteration: 309 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000309)= 0.000000
|
|
beta (00000309)= 12.703936
|
|
gamma(00000309)= 12.703936
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127039361410875E+02 read= 0.133224845274010E+02)
|
|
Weight for this step=-0.12780E+00 -0.28808E+01
|
|
|
|
Lanczos iteration: 310 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000310)= 0.000000
|
|
beta (00000310)= 13.322485
|
|
gamma(00000310)= 13.322485
|
|
z1= 1 -0.508968489923434E-07 0.000000000000000E+00
|
|
z1= 2 0.239238833845745E-03 0.000000000000000E+00
|
|
z1= 3 0.244281255854618E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133224845274010E+02 read= 0.127643467081489E+02)
|
|
Weight for this step=-0.18918E+00 -0.38635E+01
|
|
|
|
Lanczos iteration: 311 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000311)= 0.000000
|
|
beta (00000311)= 12.764347
|
|
gamma(00000311)= 12.764347
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127643467081489E+02 read= 0.134820287869247E+02)
|
|
Weight for this step= 0.12399E+00 0.28087E+01
|
|
|
|
Lanczos iteration: 312 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000312)= 0.000000
|
|
beta (00000312)= 13.482029
|
|
gamma(00000312)= 13.482029
|
|
z1= 1 0.509772713807102E-07 0.000000000000000E+00
|
|
z1= 2 -0.226503552953530E-03 0.000000000000000E+00
|
|
z1= 3 -0.243812162269502E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134820287869247E+02 read= 0.127733845488152E+02)
|
|
Weight for this step= 0.18492E+00 0.37943E+01
|
|
|
|
Lanczos iteration: 313 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000313)= 0.000000
|
|
beta (00000313)= 12.773385
|
|
gamma(00000313)= 12.773385
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127733845488152E+02 read= 0.130558921766615E+02)
|
|
Weight for this step=-0.12169E+00 -0.27700E+01
|
|
|
|
Lanczos iteration: 314 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000314)= 0.000000
|
|
beta (00000314)= 13.055892
|
|
gamma(00000314)= 13.055892
|
|
z1= 1 -0.527606335912201E-07 0.000000000000000E+00
|
|
z1= 2 0.221602395638719E-03 0.000000000000000E+00
|
|
z1= 3 0.251759379876223E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130558921766615E+02 read= 0.126846159169909E+02)
|
|
Weight for this step=-0.18681E+00 -0.38511E+01
|
|
|
|
Lanczos iteration: 315 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000315)= 0.000000
|
|
beta (00000315)= 12.684616
|
|
gamma(00000315)= 12.684616
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126846159169909E+02 read= 0.133385040377710E+02)
|
|
Weight for this step= 0.11592E+00 0.26524E+01
|
|
|
|
Lanczos iteration: 316 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000316)= 0.000000
|
|
beta (00000316)= 13.338504
|
|
gamma(00000316)= 13.338504
|
|
z1= 1 0.530459708693309E-07 0.000000000000000E+00
|
|
z1= 2 -0.210738870491185E-03 0.000000000000000E+00
|
|
z1= 3 -0.252514977189266E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133385040377710E+02 read= 0.126406459299569E+02)
|
|
Weight for this step= 0.18314E+00 0.37924E+01
|
|
|
|
Lanczos iteration: 317 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000317)= 0.000000
|
|
beta (00000317)= 12.640646
|
|
gamma(00000317)= 12.640646
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126406459299569E+02 read= 0.134157696093791E+02)
|
|
Weight for this step=-0.11313E+00 -0.26024E+01
|
|
|
|
Lanczos iteration: 318 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000318)= 0.000000
|
|
beta (00000318)= 13.415770
|
|
gamma(00000318)= 13.415770
|
|
z1= 1 -0.529314295866223E-07 0.000000000000000E+00
|
|
z1= 2 0.198562998852962E-03 0.000000000000000E+00
|
|
z1= 3 0.251403043545717E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134157696093791E+02 read= 0.124743774703906E+02)
|
|
Weight for this step=-0.17789E+00 -0.37003E+01
|
|
|
|
Lanczos iteration: 319 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000319)= 0.000000
|
|
beta (00000319)= 12.474377
|
|
gamma(00000319)= 12.474377
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124743774703906E+02 read= 0.134649220065911E+02)
|
|
Weight for this step= 0.11263E+00 0.26046E+01
|
|
|
|
Lanczos iteration: 320 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000320)= 0.000000
|
|
beta (00000320)= 13.464922
|
|
gamma(00000320)= 13.464922
|
|
z1= 1 0.521823575487176E-07 0.000000000000000E+00
|
|
z1= 2 -0.183955747989642E-03 0.000000000000000E+00
|
|
z1= 3 -0.247210526054908E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134649220065911E+02 read= 0.128752659424844E+02)
|
|
Weight for this step= 0.17008E+00 0.35547E+01
|
|
|
|
Lanczos iteration: 321 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000321)= 0.000000
|
|
beta (00000321)= 12.875266
|
|
gamma(00000321)= 12.875266
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128752659424844E+02 read= 0.135078480015097E+02)
|
|
Weight for this step=-0.10942E+00 -0.25431E+01
|
|
|
|
Lanczos iteration: 322 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000322)= 0.000000
|
|
beta (00000322)= 13.507848
|
|
gamma(00000322)= 13.507848
|
|
z1= 1 -0.529003594080743E-07 0.000000000000000E+00
|
|
z1= 2 0.175340970430706E-03 0.000000000000000E+00
|
|
z1= 3 0.250173709316143E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135078480015097E+02 read= 0.126468202125293E+02)
|
|
Weight for this step=-0.16723E+00 -0.35115E+01
|
|
|
|
Lanczos iteration: 323 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000323)= 0.000000
|
|
beta (00000323)= 12.646820
|
|
gamma(00000323)= 12.646820
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126468202125293E+02 read= 0.133145132131888E+02)
|
|
Weight for this step= 0.10849E+00 0.25345E+01
|
|
|
|
Lanczos iteration: 324 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000324)= 0.000000
|
|
beta (00000324)= 13.314513
|
|
gamma(00000324)= 13.314513
|
|
z1= 1 0.535805419563801E-07 0.000000000000000E+00
|
|
z1= 2 -0.166548013691603E-03 0.000000000000000E+00
|
|
z1= 3 -0.252921258094615E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133145132131888E+02 read= 0.129826285107857E+02)
|
|
Weight for this step= 0.16399E+00 0.34600E+01
|
|
|
|
Lanczos iteration: 325 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000325)= 0.000000
|
|
beta (00000325)= 12.982629
|
|
gamma(00000325)= 12.982629
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129826285107857E+02 read= 0.135457314040803E+02)
|
|
Weight for this step=-0.10326E+00 -0.24248E+01
|
|
|
|
Lanczos iteration: 326 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000326)= 0.000000
|
|
beta (00000326)= 13.545731
|
|
gamma(00000326)= 13.545731
|
|
z1= 1 -0.546225485910032E-07 0.000000000000000E+00
|
|
z1= 2 0.159624528677447E-03 0.000000000000000E+00
|
|
z1= 3 0.257487044508952E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135457314040803E+02 read= 0.125540265253702E+02)
|
|
Weight for this step=-0.16198E+00 -0.34334E+01
|
|
|
|
Lanczos iteration: 327 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000327)= 0.000000
|
|
beta (00000327)= 12.554027
|
|
gamma(00000327)= 12.554027
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125540265253702E+02 read= 0.133774789836153E+02)
|
|
Weight for this step= 0.10324E+00 0.24373E+01
|
|
|
|
Lanczos iteration: 328 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000328)= 0.000000
|
|
beta (00000328)= 13.377479
|
|
gamma(00000328)= 13.377479
|
|
z1= 1 0.548032644152527E-07 0.000000000000000E+00
|
|
z1= 2 -0.149798820059509E-03 0.000000000000000E+00
|
|
z1= 3 -0.257830092675838E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133774789836153E+02 read= 0.129218511992482E+02)
|
|
Weight for this step= 0.15688E+00 0.33413E+01
|
|
|
|
Lanczos iteration: 329 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000329)= 0.000000
|
|
beta (00000329)= 12.921851
|
|
gamma(00000329)= 12.921851
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129218511992482E+02 read= 0.135128438894287E+02)
|
|
Weight for this step=-0.99196E-01 -0.23540E+01
|
|
|
|
Lanczos iteration: 330 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000330)= 0.000000
|
|
beta (00000330)= 13.512844
|
|
gamma(00000330)= 13.512844
|
|
z1= 1 -0.559627183240041E-07 0.000000000000000E+00
|
|
z1= 2 0.143247274849860E-03 0.000000000000000E+00
|
|
z1= 3 0.262771724804888E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135128438894287E+02 read= 0.126035120720783E+02)
|
|
Weight for this step=-0.15465E+00 -0.33092E+01
|
|
|
|
Lanczos iteration: 331 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000331)= 0.000000
|
|
beta (00000331)= 12.603512
|
|
gamma(00000331)= 12.603512
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126035120720783E+02 read= 0.134836419772839E+02)
|
|
Weight for this step= 0.98583E-01 0.23519E+01
|
|
|
|
Lanczos iteration: 332 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000332)= 0.000000
|
|
beta (00000332)= 13.483642
|
|
gamma(00000332)= 13.483642
|
|
z1= 1 0.560551664955181E-07 0.000000000000000E+00
|
|
z1= 2 -0.133896966480126E-03 0.000000000000000E+00
|
|
z1= 3 -0.262615650902984E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134836419772839E+02 read= 0.128291710804521E+02)
|
|
Weight for this step= 0.14917E+00 0.32074E+01
|
|
|
|
Lanczos iteration: 333 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000333)= 0.000000
|
|
beta (00000333)= 12.829171
|
|
gamma(00000333)= 12.829171
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128291710804521E+02 read= 0.133273117921593E+02)
|
|
Weight for this step=-0.96251E-01 -0.23082E+01
|
|
|
|
Lanczos iteration: 334 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000334)= 0.000000
|
|
beta (00000334)= 13.327312
|
|
gamma(00000334)= 13.327312
|
|
z1= 1 -0.578631458251350E-07 0.000000000000000E+00
|
|
z1= 2 0.128892241505007E-03 0.000000000000000E+00
|
|
z1= 3 0.270557695317847E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133273117921593E+02 read= 0.123414733929396E+02)
|
|
Weight for this step=-0.14815E+00 -0.32009E+01
|
|
|
|
Lanczos iteration: 335 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000335)= 0.000000
|
|
beta (00000335)= 12.341473
|
|
gamma(00000335)= 12.341473
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.123414733929396E+02 read= 0.133537931286937E+02)
|
|
Weight for this step= 0.96341E-01 0.23228E+01
|
|
|
|
Lanczos iteration: 336 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000336)= 0.000000
|
|
beta (00000336)= 13.353793
|
|
gamma(00000336)= 13.353793
|
|
z1= 1 0.576461537714693E-07 0.000000000000000E+00
|
|
z1= 2 -0.119121222993340E-03 0.000000000000000E+00
|
|
z1= 3 -0.268798257862472E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133537931286937E+02 read= 0.129498300847319E+02)
|
|
Weight for this step= 0.14147E+00 0.30721E+01
|
|
|
|
Lanczos iteration: 337 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000337)= 0.000000
|
|
beta (00000337)= 12.949830
|
|
gamma(00000337)= 12.949830
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129498300847319E+02 read= 0.133754692413825E+02)
|
|
Weight for this step=-0.92433E-01 -0.22400E+01
|
|
|
|
Lanczos iteration: 338 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000338)= 0.000000
|
|
beta (00000338)= 13.375469
|
|
gamma(00000338)= 13.375469
|
|
z1= 1 -0.599727858529089E-07 0.000000000000000E+00
|
|
z1= 2 0.115330503133087E-03 0.000000000000000E+00
|
|
z1= 3 0.279006842568994E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133754692413825E+02 read= 0.126107080570880E+02)
|
|
Weight for this step=-0.14132E+00 -0.30840E+01
|
|
|
|
Lanczos iteration: 339 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000339)= 0.000000
|
|
beta (00000339)= 12.610708
|
|
gamma(00000339)= 12.610708
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126107080570880E+02 read= 0.132278630188911E+02)
|
|
Weight for this step= 0.90947E-01 0.22157E+01
|
|
|
|
Lanczos iteration: 340 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000340)= 0.000000
|
|
beta (00000340)= 13.227863
|
|
gamma(00000340)= 13.227863
|
|
z1= 1 0.614749085291535E-07 0.000000000000000E+00
|
|
z1= 2 -0.109949679930184E-03 0.000000000000000E+00
|
|
z1= 3 -0.285361041583391E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132278630188911E+02 read= 0.128947767191353E+02)
|
|
Weight for this step= 0.13906E+00 0.30498E+01
|
|
|
|
Lanczos iteration: 341 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000341)= 0.000000
|
|
beta (00000341)= 12.894777
|
|
gamma(00000341)= 12.894777
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128947767191353E+02 read= 0.135978046436743E+02)
|
|
Weight for this step=-0.86473E-01 -0.21182E+01
|
|
|
|
Lanczos iteration: 342 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000342)= 0.000000
|
|
beta (00000342)= 13.597805
|
|
gamma(00000342)= 13.597805
|
|
z1= 1 -0.623786739080943E-07 0.000000000000000E+00
|
|
z1= 2 0.104265108243054E-03 0.000000000000000E+00
|
|
z1= 3 0.289211087714904E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135978046436743E+02 read= 0.127769937936211E+02)
|
|
Weight for this step=-0.13588E+00 -0.29941E+01
|
|
|
|
Lanczos iteration: 343 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000343)= 0.000000
|
|
beta (00000343)= 12.776994
|
|
gamma(00000343)= 12.776994
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127769937936211E+02 read= 0.136396227590571E+02)
|
|
Weight for this step= 0.85302E-01 0.21008E+01
|
|
|
|
Lanczos iteration: 344 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000344)= 0.000000
|
|
beta (00000344)= 13.639623
|
|
gamma(00000344)= 13.639623
|
|
z1= 1 0.626333838084012E-07 0.000000000000000E+00
|
|
z1= 2 -0.976709300869209E-04 0.000000000000000E+00
|
|
z1= 3 -0.289887563589082E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136396227590571E+02 read= 0.128804165600221E+02)
|
|
Weight for this step= 0.13122E+00 0.29055E+01
|
|
|
|
Lanczos iteration: 345 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000345)= 0.000000
|
|
beta (00000345)= 12.880417
|
|
gamma(00000345)= 12.880417
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128804165600221E+02 read= 0.133110058765672E+02)
|
|
Weight for this step=-0.83886E-01 -0.20770E+01
|
|
|
|
Lanczos iteration: 346 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000346)= 0.000000
|
|
beta (00000346)= 13.311006
|
|
gamma(00000346)= 13.311006
|
|
z1= 1 -0.650164308324368E-07 0.000000000000000E+00
|
|
z1= 2 0.945114348975431E-04 0.000000000000000E+00
|
|
z1= 3 0.300403728908005E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133110058765672E+02 read= 0.126338929140981E+02)
|
|
Weight for this step=-0.13095E+00 -0.29137E+01
|
|
|
|
Lanczos iteration: 347 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000347)= 0.000000
|
|
beta (00000347)= 12.633893
|
|
gamma(00000347)= 12.633893
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126338929140981E+02 read= 0.136146403082616E+02)
|
|
Weight for this step= 0.81828E-01 0.20373E+01
|
|
|
|
Lanczos iteration: 348 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000348)= 0.000000
|
|
beta (00000348)= 13.614640
|
|
gamma(00000348)= 13.614640
|
|
z1= 1 0.647632970324913E-07 0.000000000000000E+00
|
|
z1= 2 -0.877031872026286E-04 0.000000000000000E+00
|
|
z1= 3 -0.298518297998734E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136146403082616E+02 read= 0.128926426145657E+02)
|
|
Weight for this step= 0.12530E+00 0.28018E+01
|
|
|
|
Lanczos iteration: 349 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000349)= 0.000000
|
|
beta (00000349)= 12.892643
|
|
gamma(00000349)= 12.892643
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128926426145657E+02 read= 0.132882926137116E+02)
|
|
Weight for this step=-0.80266E-01 -0.20091E+01
|
|
|
|
Lanczos iteration: 350 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000350)= 0.000000
|
|
beta (00000350)= 13.288293
|
|
gamma(00000350)= 13.288293
|
|
z1= 1 -0.674917583903811E-07 0.000000000000000E+00
|
|
z1= 2 0.850918836326161E-04 0.000000000000000E+00
|
|
z1= 3 0.310193246155516E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132882926137116E+02 read= 0.126077853673572E+02)
|
|
Weight for this step=-0.12537E+00 -0.28173E+01
|
|
|
|
Lanczos iteration: 351 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000351)= 0.000000
|
|
beta (00000351)= 12.607785
|
|
gamma(00000351)= 12.607785
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126077853673572E+02 read= 0.135790861100218E+02)
|
|
Weight for this step= 0.78312E-01 0.19713E+01
|
|
|
|
Lanczos iteration: 352 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000352)= 0.000000
|
|
beta (00000352)= 13.579086
|
|
gamma(00000352)= 13.579086
|
|
z1= 1 0.673156514445147E-07 0.000000000000000E+00
|
|
z1= 2 -0.790053319237203E-04 0.000000000000000E+00
|
|
z1= 3 -0.308320571566116E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135790861100218E+02 read= 0.128384405813912E+02)
|
|
Weight for this step= 0.12003E+00 0.27108E+01
|
|
|
|
Lanczos iteration: 353 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000353)= 0.000000
|
|
beta (00000353)= 12.838441
|
|
gamma(00000353)= 12.838441
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128384405813912E+02 read= 0.130965045814047E+02)
|
|
Weight for this step=-0.76921E-01 -0.19468E+01
|
|
|
|
Lanczos iteration: 354 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000354)= 0.000000
|
|
beta (00000354)= 13.096505
|
|
gamma(00000354)= 13.096505
|
|
z1= 1 -0.709489205619369E-07 0.000000000000000E+00
|
|
z1= 2 0.774485476800835E-04 0.000000000000000E+00
|
|
z1= 3 0.323659012502626E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130965045814047E+02 read= 0.127349613759522E+02)
|
|
Weight for this step=-0.12137E+00 -0.27547E+01
|
|
|
|
Lanczos iteration: 355 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000355)= 0.000000
|
|
beta (00000355)= 12.734961
|
|
gamma(00000355)= 12.734961
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127349613759522E+02 read= 0.136026881688002E+02)
|
|
Weight for this step= 0.73082E-01 0.18605E+01
|
|
|
|
Lanczos iteration: 356 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000356)= 0.000000
|
|
beta (00000356)= 13.602688
|
|
gamma(00000356)= 13.602688
|
|
z1= 1 0.711334867172647E-07 0.000000000000000E+00
|
|
z1= 2 -0.725080404026996E-04 0.000000000000000E+00
|
|
z1= 3 -0.323292478663322E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136026881688002E+02 read= 0.129608626569138E+02)
|
|
Weight for this step= 0.11700E+00 0.26685E+01
|
|
|
|
Lanczos iteration: 357 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000357)= 0.000000
|
|
beta (00000357)= 12.960863
|
|
gamma(00000357)= 12.960863
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129608626569138E+02 read= 0.134846170391140E+02)
|
|
Weight for this step=-0.70998E-01 -0.18178E+01
|
|
|
|
Lanczos iteration: 358 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000358)= 0.000000
|
|
beta (00000358)= 13.484617
|
|
gamma(00000358)= 13.484617
|
|
z1= 1 -0.731256057525352E-07 0.000000000000000E+00
|
|
z1= 2 0.696917643604144E-04 0.000000000000000E+00
|
|
z1= 3 0.331413250420761E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134846170391140E+02 read= 0.129054143400764E+02)
|
|
Weight for this step=-0.11577E+00 -0.26531E+01
|
|
|
|
Lanczos iteration: 359 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000359)= 0.000000
|
|
beta (00000359)= 12.905414
|
|
gamma(00000359)= 12.905414
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129054143400764E+02 read= 0.136003491942105E+02)
|
|
Weight for this step= 0.68518E-01 0.17648E+01
|
|
|
|
Lanczos iteration: 360 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000360)= 0.000000
|
|
beta (00000360)= 13.600349
|
|
gamma(00000360)= 13.600349
|
|
z1= 1 0.741836441841420E-07 0.000000000000000E+00
|
|
z1= 2 -0.661307354920212E-04 0.000000000000000E+00
|
|
z1= 3 -0.335009863803150E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136003491942105E+02 read= 0.123425050546777E+02)
|
|
Weight for this step= 0.11302E+00 0.26025E+01
|
|
|
|
Lanczos iteration: 361 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000361)= 0.000000
|
|
beta (00000361)= 12.342505
|
|
gamma(00000361)= 12.342505
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.123425050546777E+02 read= 0.136874034583218E+02)
|
|
Weight for this step=-0.69717E-01 -0.18066E+01
|
|
|
|
Lanczos iteration: 362 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000362)= 0.000000
|
|
beta (00000362)= 13.687403
|
|
gamma(00000362)= 13.687403
|
|
z1= 1 -0.720308911204403E-07 0.000000000000000E+00
|
|
z1= 2 0.596328543660074E-04 0.000000000000000E+00
|
|
z1= 3 0.323812390957772E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136874034583218E+02 read= 0.127645172602795E+02)
|
|
Weight for this step=-0.10512E+00 -0.24332E+01
|
|
|
|
Lanczos iteration: 363 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000363)= 0.000000
|
|
beta (00000363)= 12.764517
|
|
gamma(00000363)= 12.764517
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127645172602795E+02 read= 0.133823954370100E+02)
|
|
Weight for this step= 0.69558E-01 0.18124E+01
|
|
|
|
Lanczos iteration: 364 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000364)= 0.000000
|
|
beta (00000364)= 13.382395
|
|
gamma(00000364)= 13.382395
|
|
z1= 1 0.741468022366805E-07 0.000000000000000E+00
|
|
z1= 2 -0.568795476427750E-04 0.000000000000000E+00
|
|
z1= 3 -0.331928430567948E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133823954370100E+02 read= 0.120429025174095E+02)
|
|
Weight for this step= 0.10353E+00 0.24095E+01
|
|
|
|
Lanczos iteration: 365 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000365)= 0.000000
|
|
beta (00000365)= 12.042903
|
|
gamma(00000365)= 12.042903
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.120429025174095E+02 read= 0.132303522249411E+02)
|
|
Weight for this step=-0.71867E-01 -0.18831E+01
|
|
|
|
Lanczos iteration: 366 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000366)= 0.000000
|
|
beta (00000366)= 13.230352
|
|
gamma(00000366)= 13.230352
|
|
z1= 1 -0.733790788664526E-07 0.000000000000000E+00
|
|
z1= 2 0.517744982029785E-04 0.000000000000000E+00
|
|
z1= 3 0.327069452285284E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132303522249411E+02 read= 0.127618730119706E+02)
|
|
Weight for this step=-0.97654E-01 -0.22864E+01
|
|
|
|
Lanczos iteration: 367 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000367)= 0.000000
|
|
beta (00000367)= 12.761873
|
|
gamma(00000367)= 12.761873
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127618730119706E+02 read= 0.134105195700952E+02)
|
|
Weight for this step= 0.69675E-01 0.18349E+01
|
|
|
|
Lanczos iteration: 368 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000368)= 0.000000
|
|
beta (00000368)= 13.410520
|
|
gamma(00000368)= 13.410520
|
|
z1= 1 0.756587839344019E-07 0.000000000000000E+00
|
|
z1= 2 -0.492702439953922E-04 0.000000000000000E+00
|
|
z1= 3 -0.335985105924584E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134105195700952E+02 read= 0.125135162806462E+02)
|
|
Weight for this step= 0.96195E-01 0.22654E+01
|
|
|
|
Lanczos iteration: 369 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000369)= 0.000000
|
|
beta (00000369)= 12.513516
|
|
gamma(00000369)= 12.513516
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125135162806462E+02 read= 0.136022614580678E+02)
|
|
Weight for this step=-0.69818E-01 -0.18479E+01
|
|
|
|
Lanczos iteration: 370 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000370)= 0.000000
|
|
beta (00000370)= 13.602261
|
|
gamma(00000370)= 13.602261
|
|
z1= 1 -0.755427077114412E-07 0.000000000000000E+00
|
|
z1= 2 0.453265806048282E-04 0.000000000000000E+00
|
|
z1= 3 0.334249524704190E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136022614580678E+02 read= 0.127019073466091E+02)
|
|
Weight for this step=-0.91720E-01 -0.21730E+01
|
|
|
|
Lanczos iteration: 371 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000371)= 0.000000
|
|
beta (00000371)= 12.701907
|
|
gamma(00000371)= 12.701907
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127019073466091E+02 read= 0.134528568320892E+02)
|
|
Weight for this step= 0.70212E-01 0.18669E+01
|
|
|
|
Lanczos iteration: 372 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000372)= 0.000000
|
|
beta (00000372)= 13.452857
|
|
gamma(00000372)= 13.452857
|
|
z1= 1 0.775474473133043E-07 0.000000000000000E+00
|
|
z1= 2 -0.427964137555406E-04 0.000000000000000E+00
|
|
z1= 3 -0.341749792791428E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134528568320892E+02 read= 0.129634446585929E+02)
|
|
Weight for this step= 0.89878E-01 0.21426E+01
|
|
|
|
Lanczos iteration: 373 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000373)= 0.000000
|
|
beta (00000373)= 12.963445
|
|
gamma(00000373)= 12.963445
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129634446585929E+02 read= 0.136432491488833E+02)
|
|
Weight for this step=-0.68489E-01 -0.18292E+01
|
|
|
|
Lanczos iteration: 374 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000374)= 0.000000
|
|
beta (00000374)= 13.643249
|
|
gamma(00000374)= 13.643249
|
|
z1= 1 -0.798913214456300E-07 0.000000000000000E+00
|
|
z1= 2 0.406639895856784E-04 0.000000000000000E+00
|
|
z1= 3 0.350667500511172E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136432491488833E+02 read= 0.125885815072242E+02)
|
|
Weight for this step=-0.88551E-01 -0.21236E+01
|
|
|
|
Lanczos iteration: 375 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000375)= 0.000000
|
|
beta (00000375)= 12.588582
|
|
gamma(00000375)= 12.588582
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125885815072242E+02 read= 0.134156914495669E+02)
|
|
Weight for this step= 0.69791E-01 0.18720E+01
|
|
|
|
Lanczos iteration: 376 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000376)= 0.000000
|
|
beta (00000376)= 13.415691
|
|
gamma(00000376)= 13.415691
|
|
z1= 1 0.816426179523150E-07 0.000000000000000E+00
|
|
z1= 2 -0.381569559222087E-04 0.000000000000000E+00
|
|
z1= 3 -0.356726012837707E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134156914495669E+02 read= 0.130903107683339E+02)
|
|
Weight for this step= 0.86358E-01 0.20840E+01
|
|
|
|
Lanczos iteration: 377 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000377)= 0.000000
|
|
beta (00000377)= 13.090311
|
|
gamma(00000377)= 13.090311
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130903107683339E+02 read= 0.133509438504295E+02)
|
|
Weight for this step=-0.67367E-01 -0.18143E+01
|
|
|
|
Lanczos iteration: 378 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000378)= 0.000000
|
|
beta (00000378)= 13.350944
|
|
gamma(00000378)= 13.350944
|
|
z1= 1 -0.867830468701284E-07 0.000000000000000E+00
|
|
z1= 2 0.374120673856263E-04 0.000000000000000E+00
|
|
z1= 3 0.377453136776393E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133509438504295E+02 read= 0.125836867017226E+02)
|
|
Weight for this step=-0.87839E-01 -0.21323E+01
|
|
|
|
Lanczos iteration: 379 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000379)= 0.000000
|
|
beta (00000379)= 12.583687
|
|
gamma(00000379)= 12.583687
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125836867017226E+02 read= 0.136372489868796E+02)
|
|
Weight for this step= 0.67074E-01 0.18140E+01
|
|
|
|
Lanczos iteration: 380 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000380)= 0.000000
|
|
beta (00000380)= 13.637249
|
|
gamma(00000380)= 13.637249
|
|
z1= 1 0.868494510995743E-07 0.000000000000000E+00
|
|
z1= 2 -0.345217525393954E-04 0.000000000000000E+00
|
|
z1= 3 -0.376132495730978E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136372489868796E+02 read= 0.129631677296971E+02)
|
|
Weight for this step= 0.84139E-01 0.20546E+01
|
|
|
|
Lanczos iteration: 381 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000381)= 0.000000
|
|
beta (00000381)= 12.963168
|
|
gamma(00000381)= 12.963168
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129631677296971E+02 read= 0.134562126381855E+02)
|
|
Weight for this step=-0.66472E-01 -0.18046E+01
|
|
|
|
Lanczos iteration: 382 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000382)= 0.000000
|
|
beta (00000382)= 13.456213
|
|
gamma(00000382)= 13.456213
|
|
z1= 1 -0.907088198833297E-07 0.000000000000000E+00
|
|
z1= 2 0.332568517251251E-04 0.000000000000000E+00
|
|
z1= 3 0.391054625561646E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134562126381855E+02 read= 0.129501515318906E+02)
|
|
Weight for this step=-0.84156E-01 -0.20671E+01
|
|
|
|
Lanczos iteration: 383 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000383)= 0.000000
|
|
beta (00000383)= 12.950152
|
|
gamma(00000383)= 12.950152
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129501515318906E+02 read= 0.133928624289081E+02)
|
|
Weight for this step= 0.64975E-01 0.17706E+01
|
|
|
|
Lanczos iteration: 384 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000384)= 0.000000
|
|
beta (00000384)= 13.392862
|
|
gamma(00000384)= 13.392862
|
|
z1= 1 0.947227211730173E-07 0.000000000000000E+00
|
|
z1= 2 -0.321575220830683E-04 0.000000000000000E+00
|
|
z1= 3 -0.406925808283873E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133928624289081E+02 read= 0.124489750785744E+02)
|
|
Weight for this step= 0.84418E-01 0.20854E+01
|
|
|
|
Lanczos iteration: 385 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000385)= 0.000000
|
|
beta (00000385)= 12.448975
|
|
gamma(00000385)= 12.448975
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124489750785744E+02 read= 0.132305386151987E+02)
|
|
Weight for this step=-0.65630E-01 -0.17952E+01
|
|
|
|
Lanczos iteration: 386 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000386)= 0.000000
|
|
beta (00000386)= 13.230539
|
|
gamma(00000386)= 13.230539
|
|
z1= 1 -0.964380540598164E-07 0.000000000000000E+00
|
|
z1= 2 0.302578906756922E-04 0.000000000000000E+00
|
|
z1= 3 0.412895130037837E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132305386151987E+02 read= 0.129503043231549E+02)
|
|
Weight for this step=-0.82542E-01 -0.20510E+01
|
|
|
|
Lanczos iteration: 387 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000387)= 0.000000
|
|
beta (00000387)= 12.950304
|
|
gamma(00000387)= 12.950304
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129503043231549E+02 read= 0.131606454477100E+02)
|
|
Weight for this step= 0.63037E-01 0.17304E+01
|
|
|
|
Lanczos iteration: 388 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000388)= 0.000000
|
|
beta (00000388)= 13.160645
|
|
gamma(00000388)= 13.160645
|
|
z1= 1 0.102086405091503E-06 0.000000000000000E+00
|
|
z1= 2 -0.297742913889379E-04 0.000000000000000E+00
|
|
z1= 3 -0.435776118832090E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131606454477100E+02 read= 0.127459856344123E+02)
|
|
Weight for this step= 0.84227E-01 0.21043E+01
|
|
|
|
Lanczos iteration: 389 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000389)= 0.000000
|
|
beta (00000389)= 12.745986
|
|
gamma(00000389)= 12.745986
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127459856344123E+02 read= 0.135465436505934E+02)
|
|
Weight for this step=-0.60927E-01 -0.16786E+01
|
|
|
|
Lanczos iteration: 390 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000390)= 0.000000
|
|
beta (00000390)= 13.546544
|
|
gamma(00000390)= 13.546544
|
|
z1= 1 -0.102927461318771E-06 0.000000000000000E+00
|
|
z1= 2 0.280147246490112E-04 0.000000000000000E+00
|
|
z1= 3 0.438086251784806E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135465436505934E+02 read= 0.127423406607824E+02)
|
|
Weight for this step=-0.82070E-01 -0.20610E+01
|
|
|
|
Lanczos iteration: 391 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000391)= 0.000000
|
|
beta (00000391)= 12.742341
|
|
gamma(00000391)= 12.742341
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127423406607824E+02 read= 0.131646618148310E+02)
|
|
Weight for this step= 0.60718E-01 0.16786E+01
|
|
|
|
Lanczos iteration: 392 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000392)= 0.000000
|
|
beta (00000392)= 13.164662
|
|
gamma(00000392)= 13.164662
|
|
z1= 1 0.106739035891229E-06 0.000000000000000E+00
|
|
z1= 2 -0.271160148294066E-04 0.000000000000000E+00
|
|
z1= 3 -0.453152239339222E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131646618148310E+02 read= 0.127533656201259E+02)
|
|
Weight for this step= 0.82329E-01 0.20784E+01
|
|
|
|
Lanczos iteration: 393 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000393)= 0.000000
|
|
beta (00000393)= 12.753366
|
|
gamma(00000393)= 12.753366
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127533656201259E+02 read= 0.133431703256846E+02)
|
|
Weight for this step=-0.58613E-01 -0.16261E+01
|
|
|
|
Lanczos iteration: 394 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000394)= 0.000000
|
|
beta (00000394)= 13.343170
|
|
gamma(00000394)= 13.343170
|
|
z1= 1 -0.108887920619374E-06 0.000000000000000E+00
|
|
z1= 2 0.259174126416872E-04 0.000000000000000E+00
|
|
z1= 3 0.461108014555031E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133431703256846E+02 read= 0.126204031323057E+02)
|
|
Weight for this step=-0.81443E-01 -0.20663E+01
|
|
|
|
Lanczos iteration: 395 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000395)= 0.000000
|
|
beta (00000395)= 12.620403
|
|
gamma(00000395)= 12.620403
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126204031323057E+02 read= 0.132598288220644E+02)
|
|
Weight for this step= 0.57909E-01 0.16120E+01
|
|
|
|
Lanczos iteration: 396 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000396)= 0.000000
|
|
beta (00000396)= 13.259829
|
|
gamma(00000396)= 13.259829
|
|
z1= 1 0.110467689635498E-06 0.000000000000000E+00
|
|
z1= 2 -0.246676031849993E-04 0.000000000000000E+00
|
|
z1= 3 -0.467072407586255E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132598288220644E+02 read= 0.126582329757994E+02)
|
|
Weight for this step= 0.80253E-01 0.20462E+01
|
|
|
|
Lanczos iteration: 397 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000397)= 0.000000
|
|
beta (00000397)= 12.658233
|
|
gamma(00000397)= 12.658233
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126582329757994E+02 read= 0.131394329950941E+02)
|
|
Weight for this step=-0.56673E-01 -0.15828E+01
|
|
|
|
Lanczos iteration: 398 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000398)= 0.000000
|
|
beta (00000398)= 13.139433
|
|
gamma(00000398)= 13.139433
|
|
z1= 1 -0.113184001715276E-06 0.000000000000000E+00
|
|
z1= 2 0.237642117575463E-04 0.000000000000000E+00
|
|
z1= 3 0.478089215758578E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131394329950941E+02 read= 0.128986110942632E+02)
|
|
Weight for this step=-0.80017E-01 -0.20502E+01
|
|
|
|
Lanczos iteration: 399 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000399)= 0.000000
|
|
beta (00000399)= 12.898611
|
|
gamma(00000399)= 12.898611
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128986110942632E+02 read= 0.135970969562584E+02)
|
|
Weight for this step= 0.53829E-01 0.15083E+01
|
|
|
|
Lanczos iteration: 400 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000400)= 0.000000
|
|
beta (00000400)= 13.597097
|
|
gamma(00000400)= 13.597097
|
|
z1= 1 0.113617349465321E-06 0.000000000000000E+00
|
|
z1= 2 -0.225434389714337E-04 0.000000000000000E+00
|
|
z1= 3 -0.479687550619472E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135970969562584E+02 read= 0.126893165644759E+02)
|
|
Weight for this step= 0.78387E-01 0.20175E+01
|
|
|
|
Lanczos iteration: 401 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000401)= 0.000000
|
|
beta (00000401)= 12.689317
|
|
gamma(00000401)= 12.689317
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126893165644759E+02 read= 0.133867833520935E+02)
|
|
Weight for this step=-0.53795E-01 -0.15121E+01
|
|
|
|
Lanczos iteration: 402 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000402)= 0.000000
|
|
beta (00000402)= 13.386783
|
|
gamma(00000402)= 13.386783
|
|
z1= 1 -0.114199929930961E-06 0.000000000000000E+00
|
|
z1= 2 0.213688999094264E-04 0.000000000000000E+00
|
|
z1= 3 0.481616426008529E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133867833520935E+02 read= 0.129505015121544E+02)
|
|
Weight for this step=-0.76820E-01 -0.19863E+01
|
|
|
|
Lanczos iteration: 403 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000403)= 0.000000
|
|
beta (00000403)= 12.950502
|
|
gamma(00000403)= 12.950502
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129505015121544E+02 read= 0.131867078403411E+02)
|
|
Weight for this step= 0.51878E-01 0.14627E+01
|
|
|
|
Lanczos iteration: 404 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000404)= 0.000000
|
|
beta (00000404)= 13.186708
|
|
gamma(00000404)= 13.186708
|
|
z1= 1 0.118565806411612E-06 0.000000000000000E+00
|
|
z1= 2 -0.209861304231941E-04 0.000000000000000E+00
|
|
z1= 3 -0.499684554256769E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131867078403411E+02 read= 0.128527375113456E+02)
|
|
Weight for this step= 0.77909E-01 0.20233E+01
|
|
|
|
Lanczos iteration: 405 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000405)= 0.000000
|
|
beta (00000405)= 12.852738
|
|
gamma(00000405)= 12.852738
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128527375113456E+02 read= 0.134822150615765E+02)
|
|
Weight for this step=-0.49415E-01 -0.13976E+01
|
|
|
|
Lanczos iteration: 406 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000406)= 0.000000
|
|
beta (00000406)= 13.482215
|
|
gamma(00000406)= 13.482215
|
|
z1= 1 -0.119131783137168E-06 0.000000000000000E+00
|
|
z1= 2 0.200062990002533E-04 0.000000000000000E+00
|
|
z1= 3 0.501616419895786E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134822150615765E+02 read= 0.125109260316582E+02)
|
|
Weight for this step=-0.76567E-01 -0.19967E+01
|
|
|
|
Lanczos iteration: 407 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000407)= 0.000000
|
|
beta (00000407)= 12.510926
|
|
gamma(00000407)= 12.510926
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125109260316582E+02 read= 0.132889762683501E+02)
|
|
Weight for this step= 0.49405E-01 0.14016E+01
|
|
|
|
Lanczos iteration: 408 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000408)= 0.000000
|
|
beta (00000408)= 13.288976
|
|
gamma(00000408)= 13.288976
|
|
z1= 1 0.118501482093171E-06 0.000000000000000E+00
|
|
z1= 2 -0.188349592854485E-04 0.000000000000000E+00
|
|
z1= 3 -0.498632115806727E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132889762683501E+02 read= 0.129695736745034E+02)
|
|
Weight for this step= 0.74412E-01 0.19489E+01
|
|
|
|
Lanczos iteration: 409 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000409)= 0.000000
|
|
beta (00000409)= 12.969574
|
|
gamma(00000409)= 12.969574
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129695736745034E+02 read= 0.132082385845865E+02)
|
|
Weight for this step=-0.47017E-01 -0.13378E+01
|
|
|
|
Lanczos iteration: 410 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000410)= 0.000000
|
|
beta (00000410)= 13.208239
|
|
gamma(00000410)= 13.208239
|
|
z1= 1 -0.122696427358460E-06 0.000000000000000E+00
|
|
z1= 2 0.184946229237421E-04 0.000000000000000E+00
|
|
z1= 3 0.515836677196253E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132082385845865E+02 read= 0.131909670643251E+02)
|
|
Weight for this step=-0.75296E-01 -0.19800E+01
|
|
|
|
Lanczos iteration: 411 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000411)= 0.000000
|
|
beta (00000411)= 13.190967
|
|
gamma(00000411)= 13.190967
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.131909670643251E+02 read= 0.134101213542048E+02)
|
|
Weight for this step= 0.43492E-01 0.12413E+01
|
|
|
|
Lanczos iteration: 412 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000412)= 0.000000
|
|
beta (00000412)= 13.410121
|
|
gamma(00000412)= 13.410121
|
|
z1= 1 0.126748440629383E-06 0.000000000000000E+00
|
|
z1= 2 -0.181923754014098E-04 0.000000000000000E+00
|
|
z1= 3 -0.532431936222386E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134101213542048E+02 read= 0.124829646540495E+02)
|
|
Weight for this step= 0.76096E-01 0.20082E+01
|
|
|
|
Lanczos iteration: 413 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000413)= 0.000000
|
|
beta (00000413)= 12.482965
|
|
gamma(00000413)= 12.482965
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124829646540495E+02 read= 0.136193740697413E+02)
|
|
Weight for this step=-0.42892E-01 -0.12282E+01
|
|
|
|
Lanczos iteration: 414 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000414)= 0.000000
|
|
beta (00000414)= 13.619374
|
|
gamma(00000414)= 13.619374
|
|
z1= 1 -0.122289884227703E-06 0.000000000000000E+00
|
|
z1= 2 0.166743917852773E-04 0.000000000000000E+00
|
|
z1= 3 0.513476134812296E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136193740697413E+02 read= 0.130315979130388E+02)
|
|
Weight for this step=-0.71718E-01 -0.18997E+01
|
|
|
|
Lanczos iteration: 415 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000415)= 0.000000
|
|
beta (00000415)= 13.031598
|
|
gamma(00000415)= 13.031598
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130315979130388E+02 read= 0.132902445078056E+02)
|
|
Weight for this step= 0.41370E-01 0.11881E+01
|
|
|
|
Lanczos iteration: 416 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000416)= 0.000000
|
|
beta (00000416)= 13.290245
|
|
gamma(00000416)= 13.290245
|
|
z1= 1 0.126137320849602E-06 0.000000000000000E+00
|
|
z1= 2 -0.163498849898979E-04 0.000000000000000E+00
|
|
z1= 3 -0.529723649709147E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132902445078056E+02 read= 0.129351092496685E+02)
|
|
Weight for this step= 0.72271E-01 0.19212E+01
|
|
|
|
Lanczos iteration: 417 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000417)= 0.000000
|
|
beta (00000417)= 12.935109
|
|
gamma(00000417)= 12.935109
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129351092496685E+02 read= 0.136343302599263E+02)
|
|
Weight for this step=-0.38997E-01 -0.11235E+01
|
|
|
|
Lanczos iteration: 418 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000418)= 0.000000
|
|
beta (00000418)= 13.634330
|
|
gamma(00000418)= 13.634330
|
|
z1= 1 -0.125575324491731E-06 0.000000000000000E+00
|
|
z1= 2 0.155113998657570E-04 0.000000000000000E+00
|
|
z1= 3 0.527589308485423E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136343302599263E+02 read= 0.126251467011369E+02)
|
|
Weight for this step=-0.70354E-01 -0.18766E+01
|
|
|
|
Lanczos iteration: 419 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000419)= 0.000000
|
|
beta (00000419)= 12.625147
|
|
gamma(00000419)= 12.625147
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126251467011369E+02 read= 0.136810496096391E+02)
|
|
Weight for this step= 0.38615E-01 0.11160E+01
|
|
|
|
Lanczos iteration: 420 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000420)= 0.000000
|
|
beta (00000420)= 13.681050
|
|
gamma(00000420)= 13.681050
|
|
z1= 1 0.121907367496305E-06 0.000000000000000E+00
|
|
z1= 2 -0.143142305914544E-04 0.000000000000000E+00
|
|
z1= 3 -0.512562950135981E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136810496096391E+02 read= 0.125441050792962E+02)
|
|
Weight for this step= 0.66690E-01 0.17852E+01
|
|
|
|
Lanczos iteration: 421 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000421)= 0.000000
|
|
beta (00000421)= 12.544105
|
|
gamma(00000421)= 12.544105
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125441050792962E+02 read= 0.131951743057722E+02)
|
|
Weight for this step=-0.38777E-01 -0.11240E+01
|
|
|
|
Lanczos iteration: 422 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000422)= 0.000000
|
|
beta (00000422)= 13.195174
|
|
gamma(00000422)= 13.195174
|
|
z1= 1 -0.122269044287686E-06 0.000000000000000E+00
|
|
z1= 2 0.136079454887989E-04 0.000000000000000E+00
|
|
z1= 3 0.514770324100584E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131951743057722E+02 read= 0.129891919013057E+02)
|
|
Weight for this step=-0.65238E-01 -0.17529E+01
|
|
|
|
Lanczos iteration: 423 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000423)= 0.000000
|
|
beta (00000423)= 12.989192
|
|
gamma(00000423)= 12.989192
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129891919013057E+02 read= 0.132269056821956E+02)
|
|
Weight for this step= 0.36239E-01 0.10535E+01
|
|
|
|
Lanczos iteration: 424 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000424)= 0.000000
|
|
beta (00000424)= 13.226906
|
|
gamma(00000424)= 13.226906
|
|
z1= 1 0.126225640881446E-06 0.000000000000000E+00
|
|
z1= 2 -0.133633836653440E-04 0.000000000000000E+00
|
|
z1= 3 -0.532166603300520E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132269056821956E+02 read= 0.126380834018139E+02)
|
|
Weight for this step= 0.65780E-01 0.17735E+01
|
|
|
|
Lanczos iteration: 425 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000425)= 0.000000
|
|
beta (00000425)= 12.638083
|
|
gamma(00000425)= 12.638083
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126380834018139E+02 read= 0.137856697751319E+02)
|
|
Weight for this step=-0.34661E-01 -0.10107E+01
|
|
|
|
Lanczos iteration: 426 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000426)= 0.000000
|
|
beta (00000426)= 13.785670
|
|
gamma(00000426)= 13.785670
|
|
z1= 1 -0.121602210202340E-06 0.000000000000000E+00
|
|
z1= 2 0.122509504469105E-04 0.000000000000000E+00
|
|
z1= 3 0.513450105258783E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.137856697751319E+02 read= 0.124731072731000E+02)
|
|
Weight for this step=-0.61876E-01 -0.16739E+01
|
|
|
|
Lanczos iteration: 427 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000427)= 0.000000
|
|
beta (00000427)= 12.473107
|
|
gamma(00000427)= 12.473107
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124731072731000E+02 read= 0.135639025824991E+02)
|
|
Weight for this step= 0.35195E-01 0.10292E+01
|
|
|
|
Lanczos iteration: 428 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000428)= 0.000000
|
|
beta (00000428)= 13.563903
|
|
gamma(00000428)= 13.563903
|
|
z1= 1 0.118175761527634E-06 0.000000000000000E+00
|
|
z1= 2 -0.112657414186113E-04 0.000000000000000E+00
|
|
z1= 3 -0.499661517661338E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135639025824991E+02 read= 0.125943523644119E+02)
|
|
Weight for this step= 0.58523E-01 0.15889E+01
|
|
|
|
Lanczos iteration: 429 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000429)= 0.000000
|
|
beta (00000429)= 12.594352
|
|
gamma(00000429)= 12.594352
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125943523644119E+02 read= 0.134056033418742E+02)
|
|
Weight for this step=-0.34989E-01 -0.10259E+01
|
|
|
|
Lanczos iteration: 430 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000430)= 0.000000
|
|
beta (00000430)= 13.405603
|
|
gamma(00000430)= 13.405603
|
|
z1= 1 -0.117681218832644E-06 0.000000000000000E+00
|
|
z1= 2 0.105839859239308E-04 0.000000000000000E+00
|
|
z1= 3 0.498226401857583E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134056033418742E+02 read= 0.129984810944510E+02)
|
|
Weight for this step=-0.56613E-01 -0.15429E+01
|
|
|
|
Lanczos iteration: 431 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000431)= 0.000000
|
|
beta (00000431)= 12.998481
|
|
gamma(00000431)= 12.998481
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129984810944510E+02 read= 0.132942459135291E+02)
|
|
Weight for this step= 0.33353E-01 0.98028E+00
|
|
|
|
Lanczos iteration: 432 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000432)= 0.000000
|
|
beta (00000432)= 13.294246
|
|
gamma(00000432)= 13.294246
|
|
z1= 1 0.121651512400732E-06 0.000000000000000E+00
|
|
z1= 2 -0.103485178347459E-04 0.000000000000000E+00
|
|
z1= 3 -0.515723638346813E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132942459135291E+02 read= 0.128232798797185E+02)
|
|
Weight for this step= 0.56922E-01 0.15568E+01
|
|
|
|
Lanczos iteration: 433 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000433)= 0.000000
|
|
beta (00000433)= 12.823280
|
|
gamma(00000433)= 12.823280
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128232798797185E+02 read= 0.138375286441536E+02)
|
|
Weight for this step=-0.31793E-01 -0.93680E+00
|
|
|
|
Lanczos iteration: 434 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000434)= 0.000000
|
|
beta (00000434)= 13.837529
|
|
gamma(00000434)= 13.837529
|
|
z1= 1 -0.118933406843044E-06 0.000000000000000E+00
|
|
z1= 2 0.959000295122203E-05 0.000000000000000E+00
|
|
z1= 3 0.505016066011785E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.138375286441536E+02 read= 0.125393707523080E+02)
|
|
Weight for this step=-0.54187E-01 -0.14870E+01
|
|
|
|
Lanczos iteration: 435 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000435)= 0.000000
|
|
beta (00000435)= 12.539371
|
|
gamma(00000435)= 12.539371
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125393707523080E+02 read= 0.135245929444706E+02)
|
|
Weight for this step= 0.32375E-01 0.95616E+00
|
|
|
|
Lanczos iteration: 436 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000436)= 0.000000
|
|
beta (00000436)= 13.524593
|
|
gamma(00000436)= 13.524593
|
|
z1= 1 0.116982340168177E-06 0.000000000000000E+00
|
|
z1= 2 -0.889140272205494E-05 0.000000000000000E+00
|
|
z1= 3 -0.497645058412818E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135245929444706E+02 read= 0.125083781404321E+02)
|
|
Weight for this step= 0.51736E-01 0.14250E+01
|
|
|
|
Lanczos iteration: 437 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000437)= 0.000000
|
|
beta (00000437)= 12.508378
|
|
gamma(00000437)= 12.508378
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125083781404321E+02 read= 0.130254593347887E+02)
|
|
Weight for this step=-0.32411E-01 -0.95926E+00
|
|
|
|
Lanczos iteration: 438 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000438)= 0.000000
|
|
beta (00000438)= 13.025459
|
|
gamma(00000438)= 13.025459
|
|
z1= 1 -0.119581010413206E-06 0.000000000000000E+00
|
|
z1= 2 0.853843419931755E-05 0.000000000000000E+00
|
|
z1= 3 0.509634408646213E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130254593347887E+02 read= 0.129259424177702E+02)
|
|
Weight for this step=-0.51237E-01 -0.14166E+01
|
|
|
|
Lanczos iteration: 439 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000439)= 0.000000
|
|
beta (00000439)= 12.925942
|
|
gamma(00000439)= 12.925942
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129259424177702E+02 read= 0.130495256467097E+02)
|
|
Weight for this step= 0.30176E-01 0.89490E+00
|
|
|
|
Lanczos iteration: 440 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000440)= 0.000000
|
|
beta (00000440)= 13.049526
|
|
gamma(00000440)= 13.049526
|
|
z1= 1 0.125493805772873E-06 0.000000000000000E+00
|
|
z1= 2 -0.845757246555794E-05 0.000000000000000E+00
|
|
z1= 3 -0.535926098927655E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130495256467097E+02 read= 0.127109465960373E+02)
|
|
Weight for this step= 0.52197E-01 0.14481E+01
|
|
|
|
Lanczos iteration: 441 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000441)= 0.000000
|
|
beta (00000441)= 12.710947
|
|
gamma(00000441)= 12.710947
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127109465960373E+02 read= 0.133984271194075E+02)
|
|
Weight for this step=-0.28405E-01 -0.84416E+00
|
|
|
|
Lanczos iteration: 442 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000442)= 0.000000
|
|
beta (00000442)= 13.398427
|
|
gamma(00000442)= 13.398427
|
|
z1= 1 -0.125884914673564E-06 0.000000000000000E+00
|
|
z1= 2 0.802360985987073E-05 0.000000000000000E+00
|
|
z1= 3 0.538455779253437E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133984271194075E+02 read= 0.124959807811160E+02)
|
|
Weight for this step=-0.50843E-01 -0.14150E+01
|
|
|
|
Lanczos iteration: 443 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000443)= 0.000000
|
|
beta (00000443)= 12.495981
|
|
gamma(00000443)= 12.495981
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124959807811160E+02 read= 0.137615853949041E+02)
|
|
Weight for this step= 0.27907E-01 0.83099E+00
|
|
|
|
Lanczos iteration: 444 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000444)= 0.000000
|
|
beta (00000444)= 13.761585
|
|
gamma(00000444)= 13.761585
|
|
z1= 1 0.121341491613912E-06 0.000000000000000E+00
|
|
z1= 2 -0.728570667742415E-05 0.000000000000000E+00
|
|
z1= 3 -0.519375647427809E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.137615853949041E+02 read= 0.127850222815193E+02)
|
|
Weight for this step= 0.47435E-01 0.13244E+01
|
|
|
|
Lanczos iteration: 445 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000445)= 0.000000
|
|
beta (00000445)= 12.785022
|
|
gamma(00000445)= 12.785022
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127850222815193E+02 read= 0.131942971712499E+02)
|
|
Weight for this step=-0.27713E-01 -0.82665E+00
|
|
|
|
Lanczos iteration: 446 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000446)= 0.000000
|
|
beta (00000446)= 13.194297
|
|
gamma(00000446)= 13.194297
|
|
z1= 1 -0.125283595565993E-06 0.000000000000000E+00
|
|
z1= 2 0.705971079765274E-05 0.000000000000000E+00
|
|
z1= 3 0.536489097899859E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131942971712499E+02 read= 0.129449736347478E+02)
|
|
Weight for this step=-0.47275E-01 -0.13244E+01
|
|
|
|
Lanczos iteration: 447 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000447)= 0.000000
|
|
beta (00000447)= 12.944974
|
|
gamma(00000447)= 12.944974
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129449736347478E+02 read= 0.131267250278854E+02)
|
|
Weight for this step= 0.25959E-01 0.77560E+00
|
|
|
|
Lanczos iteration: 448 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000448)= 0.000000
|
|
beta (00000448)= 13.126725
|
|
gamma(00000448)= 13.126725
|
|
z1= 1 0.131174352021538E-06 0.000000000000000E+00
|
|
z1= 2 -0.696196270974590E-05 0.000000000000000E+00
|
|
z1= 3 -0.562042028542605E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131267250278854E+02 read= 0.133118346703812E+02)
|
|
Weight for this step= 0.47856E-01 0.13447E+01
|
|
|
|
Lanczos iteration: 449 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000449)= 0.000000
|
|
beta (00000449)= 13.311835
|
|
gamma(00000449)= 13.311835
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.133118346703812E+02 read= 0.130958112737534E+02)
|
|
Weight for this step=-0.23345E-01 -0.69868E+00
|
|
|
|
Lanczos iteration: 450 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000450)= 0.000000
|
|
beta (00000450)= 13.095811
|
|
gamma(00000450)= 13.095811
|
|
z1= 1 -0.140609204741810E-06 0.000000000000000E+00
|
|
z1= 2 0.707680453205899E-05 0.000000000000000E+00
|
|
z1= 3 0.602910541316762E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130958112737534E+02 read= 0.129286464817225E+02)
|
|
Weight for this step=-0.49759E-01 -0.14018E+01
|
|
|
|
Lanczos iteration: 451 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000451)= 0.000000
|
|
beta (00000451)= 12.928646
|
|
gamma(00000451)= 12.928646
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129286464817225E+02 read= 0.133239642926196E+02)
|
|
Weight for this step= 0.21236E-01 0.63674E+00
|
|
|
|
Lanczos iteration: 452 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000452)= 0.000000
|
|
beta (00000452)= 13.323964
|
|
gamma(00000452)= 13.323964
|
|
z1= 1 0.143409327866282E-06 0.000000000000000E+00
|
|
z1= 2 -0.686683797747551E-05 0.000000000000000E+00
|
|
z1= 3 -0.615362870688609E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133239642926196E+02 read= 0.126053085557076E+02)
|
|
Weight for this step= 0.49278E-01 0.13915E+01
|
|
|
|
Lanczos iteration: 453 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000453)= 0.000000
|
|
beta (00000453)= 12.605309
|
|
gamma(00000453)= 12.605309
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126053085557076E+02 read= 0.135205230931318E+02)
|
|
Weight for this step=-0.19998E-01 -0.60077E+00
|
|
|
|
Lanczos iteration: 454 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000454)= 0.000000
|
|
beta (00000454)= 13.520523
|
|
gamma(00000454)= 13.520523
|
|
z1= 1 -0.140739241042548E-06 0.000000000000000E+00
|
|
z1= 2 0.640201646872371E-05 0.000000000000000E+00
|
|
z1= 3 0.604115901370176E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135205230931318E+02 read= 0.125584770350519E+02)
|
|
Weight for this step=-0.46867E-01 -0.13264E+01
|
|
|
|
Lanczos iteration: 455 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000455)= 0.000000
|
|
beta (00000455)= 12.558477
|
|
gamma(00000455)= 12.558477
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125584770350519E+02 read= 0.137144544077846E+02)
|
|
Weight for this step= 0.19193E-01 0.57765E+00
|
|
|
|
Lanczos iteration: 456 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000456)= 0.000000
|
|
beta (00000456)= 13.714454
|
|
gamma(00000456)= 13.714454
|
|
z1= 1 0.135945427678485E-06 0.000000000000000E+00
|
|
z1= 2 -0.586239703088401E-05 0.000000000000000E+00
|
|
z1= 3 -0.583923646682864E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.137144544077846E+02 read= 0.125700471779960E+02)
|
|
Weight for this step= 0.43790E-01 0.12422E+01
|
|
|
|
Lanczos iteration: 457 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000457)= 0.000000
|
|
beta (00000457)= 12.570047
|
|
gamma(00000457)= 12.570047
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125700471779960E+02 read= 0.136828375711247E+02)
|
|
Weight for this step=-0.18759E-01 -0.56555E+00
|
|
|
|
Lanczos iteration: 458 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000458)= 0.000000
|
|
beta (00000458)= 13.682838
|
|
gamma(00000458)= 13.682838
|
|
z1= 1 -0.132337912818296E-06 0.000000000000000E+00
|
|
z1= 2 0.538562318462121E-05 0.000000000000000E+00
|
|
z1= 3 0.568720613700112E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136828375711247E+02 read= 0.127726176746957E+02)
|
|
Weight for this step=-0.41085E-01 -0.11682E+01
|
|
|
|
Lanczos iteration: 459 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000459)= 0.000000
|
|
beta (00000459)= 12.772618
|
|
gamma(00000459)= 12.772618
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127726176746957E+02 read= 0.134652020531900E+02)
|
|
Weight for this step= 0.18081E-01 0.54598E+00
|
|
|
|
Lanczos iteration: 460 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000460)= 0.000000
|
|
beta (00000460)= 13.465202
|
|
gamma(00000460)= 13.465202
|
|
z1= 1 0.133323308531890E-06 0.000000000000000E+00
|
|
z1= 2 -0.510861297178117E-05 0.000000000000000E+00
|
|
z1= 3 -0.573025720597442E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134652020531900E+02 read= 0.125822575310167E+02)
|
|
Weight for this step= 0.39810E-01 0.11347E+01
|
|
|
|
Lanczos iteration: 461 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000461)= 0.000000
|
|
beta (00000461)= 12.582258
|
|
gamma(00000461)= 12.582258
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125822575310167E+02 read= 0.135412085800858E+02)
|
|
Weight for this step=-0.17369E-01 -0.52526E+00
|
|
|
|
Lanczos iteration: 462 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000462)= 0.000000
|
|
beta (00000462)= 13.541209
|
|
gamma(00000462)= 13.541209
|
|
z1= 1 -0.131811555795225E-06 0.000000000000000E+00
|
|
z1= 2 0.474683508913882E-05 0.000000000000000E+00
|
|
z1= 3 0.566482813374317E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135412085800858E+02 read= 0.129565166954280E+02)
|
|
Weight for this step=-0.37792E-01 -0.10797E+01
|
|
|
|
Lanczos iteration: 463 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000463)= 0.000000
|
|
beta (00000463)= 12.956517
|
|
gamma(00000463)= 12.956517
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129565166954280E+02 read= 0.133022826415815E+02)
|
|
Weight for this step= 0.16327E-01 0.49441E+00
|
|
|
|
Lanczos iteration: 464 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000464)= 0.000000
|
|
beta (00000464)= 13.302283
|
|
gamma(00000464)= 13.302283
|
|
z1= 1 0.136502787280966E-06 0.000000000000000E+00
|
|
z1= 2 -0.462345070687594E-05 0.000000000000000E+00
|
|
z1= 3 -0.586538190560054E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133022826415815E+02 read= 0.127540052459128E+02)
|
|
Weight for this step= 0.37576E-01 0.10760E+01
|
|
|
|
Lanczos iteration: 465 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000465)= 0.000000
|
|
beta (00000465)= 12.754005
|
|
gamma(00000465)= 12.754005
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127540052459128E+02 read= 0.134248993830054E+02)
|
|
Weight for this step=-0.15185E-01 -0.46044E+00
|
|
|
|
Lanczos iteration: 466 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000466)= 0.000000
|
|
beta (00000466)= 13.424899
|
|
gamma(00000466)= 13.424899
|
|
z1= 1 -0.137656976784920E-06 0.000000000000000E+00
|
|
z1= 2 0.439239899585001E-05 0.000000000000000E+00
|
|
z1= 3 0.591583544282701E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134248993830054E+02 read= 0.129707472429460E+02)
|
|
Weight for this step=-0.36404E-01 -0.10447E+01
|
|
|
|
Lanczos iteration: 467 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000467)= 0.000000
|
|
beta (00000467)= 12.970747
|
|
gamma(00000467)= 12.970747
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129707472429460E+02 read= 0.134997090898922E+02)
|
|
Weight for this step= 0.13960E-01 0.42383E+00
|
|
|
|
Lanczos iteration: 468 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000468)= 0.000000
|
|
beta (00000468)= 13.499709
|
|
gamma(00000468)= 13.499709
|
|
z1= 1 0.140056163718677E-06 0.000000000000000E+00
|
|
z1= 2 -0.422029073260909E-05 0.000000000000000E+00
|
|
z1= 3 -0.602028475379002E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134997090898922E+02 read= 0.128008475500577E+02)
|
|
Weight for this step= 0.35623E-01 0.10243E+01
|
|
|
|
Lanczos iteration: 469 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000469)= 0.000000
|
|
beta (00000469)= 12.800848
|
|
gamma(00000469)= 12.800848
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128008475500577E+02 read= 0.136522904988936E+02)
|
|
Weight for this step=-0.12980E-01 -0.39459E+00
|
|
|
|
Lanczos iteration: 470 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000470)= 0.000000
|
|
beta (00000470)= 13.652290
|
|
gamma(00000470)= 13.652290
|
|
z1= 1 -0.139066665159199E-06 0.000000000000000E+00
|
|
z1= 2 0.395708678253923E-05 0.000000000000000E+00
|
|
z1= 3 0.597876045238272E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136522904988936E+02 read= 0.126518283534932E+02)
|
|
Weight for this step=-0.33995E-01 -0.97932E+00
|
|
|
|
Lanczos iteration: 471 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000471)= 0.000000
|
|
beta (00000471)= 12.651828
|
|
gamma(00000471)= 12.651828
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126518283534932E+02 read= 0.133890856912769E+02)
|
|
Weight for this step= 0.12325E-01 0.37512E+00
|
|
|
|
Lanczos iteration: 472 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000472)= 0.000000
|
|
beta (00000472)= 13.389086
|
|
gamma(00000472)= 13.389086
|
|
z1= 1 0.139509285974199E-06 0.000000000000000E+00
|
|
z1= 2 -0.373919354214325E-05 0.000000000000000E+00
|
|
z1= 3 -0.599853339450750E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133890856912769E+02 read= 0.126707506739870E+02)
|
|
Weight for this step= 0.32698E-01 0.94373E+00
|
|
|
|
Lanczos iteration: 473 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000473)= 0.000000
|
|
beta (00000473)= 12.670751
|
|
gamma(00000473)= 12.670751
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126707506739870E+02 read= 0.135420894404571E+02)
|
|
Weight for this step=-0.11409E-01 -0.34763E+00
|
|
|
|
Lanczos iteration: 474 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000474)= 0.000000
|
|
beta (00000474)= 13.542089
|
|
gamma(00000474)= 13.542089
|
|
z1= 1 -0.138570681732994E-06 0.000000000000000E+00
|
|
z1= 2 0.349860258283151E-05 0.000000000000000E+00
|
|
z1= 3 0.595852874903287E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135420894404571E+02 read= 0.126161385176055E+02)
|
|
Weight for this step=-0.31120E-01 -0.89981E+00
|
|
|
|
Lanczos iteration: 475 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000475)= 0.000000
|
|
beta (00000475)= 12.616139
|
|
gamma(00000475)= 12.616139
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126161385176055E+02 read= 0.133359917568307E+02)
|
|
Weight for this step= 0.10703E-01 0.32646E+00
|
|
|
|
Lanczos iteration: 476 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000476)= 0.000000
|
|
beta (00000476)= 13.335992
|
|
gamma(00000476)= 13.335992
|
|
z1= 1 0.139444571775355E-06 0.000000000000000E+00
|
|
z1= 2 -0.330975420556471E-05 0.000000000000000E+00
|
|
z1= 3 -0.599457509921927E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133359917568307E+02 read= 0.126374440323401E+02)
|
|
Weight for this step= 0.29941E-01 0.86727E+00
|
|
|
|
Lanczos iteration: 477 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000477)= 0.000000
|
|
beta (00000477)= 12.637444
|
|
gamma(00000477)= 12.637444
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126374440323401E+02 read= 0.133207083496286E+02)
|
|
Weight for this step=-0.98126E-02 -0.29957E+00
|
|
|
|
Lanczos iteration: 478 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000478)= 0.000000
|
|
beta (00000478)= 13.320708
|
|
gamma(00000478)= 13.320708
|
|
z1= 1 -0.140765332598547E-06 0.000000000000000E+00
|
|
z1= 2 0.313998568509917E-05 0.000000000000000E+00
|
|
z1= 3 0.605234205745548E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133207083496286E+02 read= 0.126761044845177E+02)
|
|
Weight for this step=-0.28865E-01 -0.83751E+00
|
|
|
|
Lanczos iteration: 479 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000479)= 0.000000
|
|
beta (00000479)= 12.676104
|
|
gamma(00000479)= 12.676104
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126761044845177E+02 read= 0.133734532852934E+02)
|
|
Weight for this step= 0.88871E-02 0.27156E+00
|
|
|
|
Lanczos iteration: 480 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000480)= 0.000000
|
|
beta (00000480)= 13.373453
|
|
gamma(00000480)= 13.373453
|
|
z1= 1 0.141949847618037E-06 0.000000000000000E+00
|
|
z1= 2 -0.297625346080792E-05 0.000000000000000E+00
|
|
z1= 3 -0.610418841684964E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133734532852934E+02 read= 0.127109202486287E+02)
|
|
Weight for this step= 0.27774E-01 0.80713E+00
|
|
|
|
Lanczos iteration: 481 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000481)= 0.000000
|
|
beta (00000481)= 12.710920
|
|
gamma(00000481)= 12.710920
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127109202486287E+02 read= 0.134445815909553E+02)
|
|
Weight for this step=-0.79835E-02 -0.24414E+00
|
|
|
|
Lanczos iteration: 482 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000482)= 0.000000
|
|
beta (00000482)= 13.444582
|
|
gamma(00000482)= 13.444582
|
|
z1= 1 -0.142785799933653E-06 0.000000000000000E+00
|
|
z1= 2 0.281384140690005E-05 0.000000000000000E+00
|
|
z1= 3 0.614257403020195E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134445815909553E+02 read= 0.128241334945277E+02)
|
|
Weight for this step=-0.26629E-01 -0.77497E+00
|
|
|
|
Lanczos iteration: 483 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000483)= 0.000000
|
|
beta (00000483)= 12.824133
|
|
gamma(00000483)= 12.824133
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128241334945277E+02 read= 0.135896229978330E+02)
|
|
Weight for this step= 0.70709E-02 0.21640E+00
|
|
|
|
Lanczos iteration: 484 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000484)= 0.000000
|
|
beta (00000484)= 13.589623
|
|
gamma(00000484)= 13.589623
|
|
z1= 1 0.143267207420444E-06 0.000000000000000E+00
|
|
z1= 2 -0.265534061094207E-05 0.000000000000000E+00
|
|
z1= 3 -0.616775294436990E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135896229978330E+02 read= 0.125292735588591E+02)
|
|
Weight for this step= 0.25454E-01 0.74174E+00
|
|
|
|
Lanczos iteration: 485 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000485)= 0.000000
|
|
beta (00000485)= 12.529274
|
|
gamma(00000485)= 12.529274
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125292735588591E+02 read= 0.132017067354402E+02)
|
|
Weight for this step=-0.63986E-02 -0.19595E+00
|
|
|
|
Lanczos iteration: 486 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000486)= 0.000000
|
|
beta (00000486)= 13.201707
|
|
gamma(00000486)= 13.201707
|
|
z1= 1 -0.145094607732245E-06 0.000000000000000E+00
|
|
z1= 2 0.252008998322334E-05 0.000000000000000E+00
|
|
z1= 3 0.625321189102741E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132017067354402E+02 read= 0.125190715068517E+02)
|
|
Weight for this step=-0.24460E-01 -0.71368E+00
|
|
|
|
Lanczos iteration: 487 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000487)= 0.000000
|
|
beta (00000487)= 12.519072
|
|
gamma(00000487)= 12.519072
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125190715068517E+02 read= 0.136058040697356E+02)
|
|
Weight for this step= 0.55256E-02 0.16932E+00
|
|
|
|
Lanczos iteration: 488 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000488)= 0.000000
|
|
beta (00000488)= 13.605804
|
|
gamma(00000488)= 13.605804
|
|
z1= 1 0.142644908979368E-06 0.000000000000000E+00
|
|
z1= 2 -0.231880354443137E-05 0.000000000000000E+00
|
|
z1= 3 -0.615182028861094E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136058040697356E+02 read= 0.126614778869801E+02)
|
|
Weight for this step= 0.22760E-01 0.66482E+00
|
|
|
|
Lanczos iteration: 489 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000489)= 0.000000
|
|
beta (00000489)= 12.661478
|
|
gamma(00000489)= 12.661478
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126614778869801E+02 read= 0.132588306042450E+02)
|
|
Weight for this step=-0.48135E-02 -0.14758E+00
|
|
|
|
Lanczos iteration: 490 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000490)= 0.000000
|
|
beta (00000490)= 13.258831
|
|
gamma(00000490)= 13.258831
|
|
z1= 1 -0.145968571847732E-06 0.000000000000000E+00
|
|
z1= 2 0.221433402966369E-05 0.000000000000000E+00
|
|
z1= 3 0.629970618153366E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132588306042450E+02 read= 0.126731204500946E+02)
|
|
Weight for this step=-0.21961E-01 -0.64215E+00
|
|
|
|
Lanczos iteration: 491 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000491)= 0.000000
|
|
beta (00000491)= 12.673120
|
|
gamma(00000491)= 12.673120
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126731204500946E+02 read= 0.134780081094044E+02)
|
|
Weight for this step= 0.39523E-02 0.12122E+00
|
|
|
|
Lanczos iteration: 492 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000492)= 0.000000
|
|
beta (00000492)= 13.478008
|
|
gamma(00000492)= 13.478008
|
|
z1= 1 0.146988210652545E-06 0.000000000000000E+00
|
|
z1= 2 -0.208209712035520E-05 0.000000000000000E+00
|
|
z1= 3 -0.634698583347061E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134780081094044E+02 read= 0.126584945676258E+02)
|
|
Weight for this step= 0.20832E-01 0.60969E+00
|
|
|
|
Lanczos iteration: 493 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000493)= 0.000000
|
|
beta (00000493)= 12.658495
|
|
gamma(00000493)= 12.658495
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126584945676258E+02 read= 0.132004924984499E+02)
|
|
Weight for this step=-0.31791E-02 -0.97543E-01
|
|
|
|
Lanczos iteration: 494 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000494)= 0.000000
|
|
beta (00000494)= 13.200492
|
|
gamma(00000494)= 13.200492
|
|
z1= 1 -0.151139586470304E-06 0.000000000000000E+00
|
|
z1= 2 0.199660846667438E-05 0.000000000000000E+00
|
|
z1= 3 0.653148101430786E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132004924984499E+02 read= 0.125805510880231E+02)
|
|
Weight for this step=-0.20127E-01 -0.58950E+00
|
|
|
|
Lanczos iteration: 495 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000495)= 0.000000
|
|
beta (00000495)= 12.580551
|
|
gamma(00000495)= 12.580551
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125805510880231E+02 read= 0.136146170650568E+02)
|
|
Weight for this step= 0.23354E-02 0.71675E-01
|
|
|
|
Lanczos iteration: 496 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000496)= 0.000000
|
|
beta (00000496)= 13.614617
|
|
gamma(00000496)= 13.614617
|
|
z1= 1 0.149604685650145E-06 0.000000000000000E+00
|
|
z1= 2 -0.184496080175931E-05 0.000000000000000E+00
|
|
z1= 3 -0.647203481446532E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136146170650568E+02 read= 0.126903508308412E+02)
|
|
Weight for this step= 0.18705E-01 0.54817E+00
|
|
|
|
Lanczos iteration: 497 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000497)= 0.000000
|
|
beta (00000497)= 12.690351
|
|
gamma(00000497)= 12.690351
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126903508308412E+02 read= 0.133486787359051E+02)
|
|
Weight for this step=-0.15838E-02 -0.48617E-01
|
|
|
|
Lanczos iteration: 498 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000498)= 0.000000
|
|
beta (00000498)= 13.348679
|
|
gamma(00000498)= 13.348679
|
|
z1= 1 -0.152679061464836E-06 0.000000000000000E+00
|
|
z1= 2 0.175397133350338E-05 0.000000000000000E+00
|
|
z1= 3 0.661561339509488E-06 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133486787359051E+02 read= 0.127117096683037E+02)
|
|
Weight for this step=-0.17857E-01 -0.52352E+00
|
|
|
|
Lanczos iteration: 499 Pol:2
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000499)= 0.000000
|
|
beta (00000499)= 12.711710
|
|
gamma(00000499)= 12.711710
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127117096683037E+02 read= 0.134628593243729E+02)
|
|
Weight for this step= 0.78477E-03 0.24093E-01
|
|
|
|
Lanczos iteration: 500 Pol:2
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000500)= 0.000000
|
|
beta (00000500)= 13.462859
|
|
gamma(00000500)= 13.462859
|
|
z1= 1 0.154790240292080E-06 0.000000000000000E+00
|
|
z1= 2 -0.165610988121963E-05 0.000000000000000E+00
|
|
z1= 3 -0.671523115184573E-06 0.000000000000000E+00
|
|
(calc= 0.134628593243729E+02 read= 0.134628593243729E+02)
|
|
Weight for this step= 0.16897E-01 0.49548E+00
|
|
|
|
Writing Cube file for response charge density
|
|
|
|
Writing Cube file for response charge density
|
|
|
|
|
|
Reading pre-calculated Lanczos coefficents from:
|
|
/scratch/timrov/WORK_Hubbard/Z_git/work2_QE_fork/q-e/tempdir/CH4.beta_gamma_z.3
|
|
|
|
|
|
|
|
500 steps succesfully read for polarization index 3
|
|
|
|
Calculating response coefficients
|
|
Resonance frequency mode enabled
|
|
Charge Response renormalization factor: 0.13460E+05 0.00000E+00
|
|
|
|
Starting Lanczos loop 3
|
|
|
|
Lanczos iteration: 1 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000001)= 0.000000
|
|
beta (00000001)= 1.985919
|
|
gamma(00000001)= 1.985919
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.198591874643704E+01 read= 0.268760449463124E+01)
|
|
Weight for this step=-0.17123E+01 -0.13460E+02
|
|
|
|
Lanczos iteration: 2 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000002)= 0.000000
|
|
beta (00000002)= 2.687604
|
|
gamma(00000002)= 2.687604
|
|
z1= 1 0.455948266210680E-07 0.000000000000000E+00
|
|
z1= 2 0.366065375549066E-07 0.000000000000000E+00
|
|
z1= 3 0.738917779905532E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.268760449463124E+01 read= 0.932138233247671E+01)
|
|
Weight for this step=-0.78412E+00 -0.32790E+01
|
|
|
|
Lanczos iteration: 3 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000003)= 0.000000
|
|
beta (00000003)= 9.321382
|
|
gamma(00000003)= 9.321382
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.932138233247671E+01 read= 0.144075820207871E+02)
|
|
Weight for this step= 0.43898E+00 0.36505E+01
|
|
|
|
Lanczos iteration: 4 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000004)= 0.000000
|
|
beta (00000004)= 14.407582
|
|
gamma(00000004)= 14.407582
|
|
z1= 1 -0.317652913262685E-07 0.000000000000000E+00
|
|
z1= 2 -0.255895294039863E-07 0.000000000000000E+00
|
|
z1= 3 -0.478063225933873E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.144075820207871E+02 read= 0.121612989996147E+02)
|
|
Weight for this step= 0.52700E+00 0.22873E+01
|
|
|
|
Lanczos iteration: 5 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000005)= 0.000000
|
|
beta (00000005)= 12.161299
|
|
gamma(00000005)= 12.161299
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.121612989996147E+02 read= 0.139780902761440E+02)
|
|
Weight for this step=-0.49189E+00 -0.42016E+01
|
|
|
|
Lanczos iteration: 6 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000006)= 0.000000
|
|
beta (00000006)= 13.978090
|
|
gamma(00000006)= 13.978090
|
|
z1= 1 0.306701840311122E-07 0.000000000000000E+00
|
|
z1= 2 0.246407328367403E-07 0.000000000000000E+00
|
|
z1= 3 0.415927334596239E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.139780902761440E+02 read= 0.124877602394992E+02)
|
|
Weight for this step=-0.48124E+00 -0.21868E+01
|
|
|
|
Lanczos iteration: 7 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000007)= 0.000000
|
|
beta (00000007)= 12.487760
|
|
gamma(00000007)= 12.487760
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124877602394992E+02 read= 0.136527876030490E+02)
|
|
Weight for this step= 0.52554E+00 0.45884E+01
|
|
|
|
Lanczos iteration: 8 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000008)= 0.000000
|
|
beta (00000008)= 13.652788
|
|
gamma(00000008)= 13.652788
|
|
z1= 1 -0.309541096662851E-07 0.000000000000000E+00
|
|
z1= 2 -0.248936863563075E-07 0.000000000000000E+00
|
|
z1= 3 -0.380435188952317E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136527876030490E+02 read= 0.126786777138768E+02)
|
|
Weight for this step= 0.46503E+00 0.22203E+01
|
|
|
|
Lanczos iteration: 9 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000009)= 0.000000
|
|
beta (00000009)= 12.678678
|
|
gamma(00000009)= 12.678678
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126786777138768E+02 read= 0.135311048772350E+02)
|
|
Weight for this step=-0.54208E+00 -0.48263E+01
|
|
|
|
Lanczos iteration: 10 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000010)= 0.000000
|
|
beta (00000010)= 13.531105
|
|
gamma(00000010)= 13.531105
|
|
z1= 1 0.312980238056666E-07 0.000000000000000E+00
|
|
z1= 2 0.257901544195561E-07 0.000000000000000E+00
|
|
z1= 3 0.356468684228385E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135311048772350E+02 read= 0.127668690941343E+02)
|
|
Weight for this step=-0.46160E+00 -0.23139E+01
|
|
|
|
Lanczos iteration: 11 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000011)= 0.000000
|
|
beta (00000011)= 12.766869
|
|
gamma(00000011)= 12.766869
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127668690941343E+02 read= 0.135128707255432E+02)
|
|
Weight for this step= 0.55104E+00 0.49965E+01
|
|
|
|
Lanczos iteration: 12 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000012)= 0.000000
|
|
beta (00000012)= 13.512871
|
|
gamma(00000012)= 13.512871
|
|
z1= 1 -0.313853521246676E-07 0.000000000000000E+00
|
|
z1= 2 -0.272070304589570E-07 0.000000000000000E+00
|
|
z1= 3 -0.336789207869753E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135128707255432E+02 read= 0.127836454747461E+02)
|
|
Weight for this step= 0.46245E+00 0.24282E+01
|
|
|
|
Lanczos iteration: 13 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000013)= 0.000000
|
|
beta (00000013)= 12.783645
|
|
gamma(00000013)= 12.783645
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127836454747461E+02 read= 0.135185626221582E+02)
|
|
Weight for this step=-0.55899E+00 -0.51571E+01
|
|
|
|
Lanczos iteration: 14 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000014)= 0.000000
|
|
beta (00000014)= 13.518563
|
|
gamma(00000014)= 13.518563
|
|
z1= 1 0.309797567045705E-07 0.000000000000000E+00
|
|
z1= 2 0.289777545591278E-07 0.000000000000000E+00
|
|
z1= 3 0.318480148626937E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135185626221582E+02 read= 0.127644796996082E+02)
|
|
Weight for this step=-0.46399E+00 -0.25460E+01
|
|
|
|
Lanczos iteration: 15 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000015)= 0.000000
|
|
beta (00000015)= 12.764480
|
|
gamma(00000015)= 12.764480
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127644796996082E+02 read= 0.135014877260698E+02)
|
|
Weight for this step= 0.56842E+00 0.53312E+01
|
|
|
|
Lanczos iteration: 16 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000016)= 0.000000
|
|
beta (00000016)= 13.501488
|
|
gamma(00000016)= 13.501488
|
|
z1= 1 -0.301774627250008E-07 0.000000000000000E+00
|
|
z1= 2 -0.312716437426020E-07 0.000000000000000E+00
|
|
z1= 3 -0.301095218123796E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135014877260698E+02 read= 0.127363097841482E+02)
|
|
Weight for this step= 0.46583E+00 0.26655E+01
|
|
|
|
Lanczos iteration: 17 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000017)= 0.000000
|
|
beta (00000017)= 12.736310
|
|
gamma(00000017)= 12.736310
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127363097841482E+02 read= 0.134713730505360E+02)
|
|
Weight for this step=-0.57883E+00 -0.55144E+01
|
|
|
|
Lanczos iteration: 18 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000018)= 0.000000
|
|
beta (00000018)= 13.471373
|
|
gamma(00000018)= 13.471373
|
|
z1= 1 0.290579215865496E-07 0.000000000000000E+00
|
|
z1= 2 0.340252425919726E-07 0.000000000000000E+00
|
|
z1= 3 0.284666006810475E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134713730505360E+02 read= 0.127317175355465E+02)
|
|
Weight for this step=-0.46813E+00 -0.27881E+01
|
|
|
|
Lanczos iteration: 19 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000019)= 0.000000
|
|
beta (00000019)= 12.731718
|
|
gamma(00000019)= 12.731718
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127317175355465E+02 read= 0.134608155657418E+02)
|
|
Weight for this step= 0.58861E+00 0.56914E+01
|
|
|
|
Lanczos iteration: 20 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000020)= 0.000000
|
|
beta (00000020)= 13.460816
|
|
gamma(00000020)= 13.460816
|
|
z1= 1 -0.276368249427868E-07 0.000000000000000E+00
|
|
z1= 2 -0.371291770429093E-07 0.000000000000000E+00
|
|
z1= 3 -0.269247221535881E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134608155657418E+02 read= 0.127588991013859E+02)
|
|
Weight for this step= 0.47097E+00 0.29139E+01
|
|
|
|
Lanczos iteration: 21 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000021)= 0.000000
|
|
beta (00000021)= 12.758899
|
|
gamma(00000021)= 12.758899
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127588991013859E+02 read= 0.134658182409269E+02)
|
|
Weight for this step=-0.59706E+00 -0.58550E+01
|
|
|
|
Lanczos iteration: 22 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000022)= 0.000000
|
|
beta (00000022)= 13.465818
|
|
gamma(00000022)= 13.465818
|
|
z1= 1 0.260085290333580E-07 0.000000000000000E+00
|
|
z1= 2 0.407507456033586E-07 0.000000000000000E+00
|
|
z1= 3 0.255112468580918E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134658182409269E+02 read= 0.127880149660844E+02)
|
|
Weight for this step=-0.47484E+00 -0.30456E+01
|
|
|
|
Lanczos iteration: 23 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000023)= 0.000000
|
|
beta (00000023)= 12.788015
|
|
gamma(00000023)= 12.788015
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127880149660844E+02 read= 0.134679768734337E+02)
|
|
Weight for this step= 0.60464E+00 0.60094E+01
|
|
|
|
Lanczos iteration: 24 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000024)= 0.000000
|
|
beta (00000024)= 13.467977
|
|
gamma(00000024)= 13.467977
|
|
z1= 1 -0.242054321777235E-07 0.000000000000000E+00
|
|
z1= 2 -0.448741650743538E-07 0.000000000000000E+00
|
|
z1= 3 -0.242232526600393E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134679768734337E+02 read= 0.128079113012319E+02)
|
|
Weight for this step= 0.47980E+00 0.31840E+01
|
|
|
|
Lanczos iteration: 25 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000025)= 0.000000
|
|
beta (00000025)= 12.807911
|
|
gamma(00000025)= 12.807911
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128079113012319E+02 read= 0.134598492455154E+02)
|
|
Weight for this step=-0.61152E+00 -0.61563E+01
|
|
|
|
Lanczos iteration: 26 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000026)= 0.000000
|
|
beta (00000026)= 13.459849
|
|
gamma(00000026)= 13.459849
|
|
z1= 1 0.221841815573965E-07 0.000000000000000E+00
|
|
z1= 2 0.491614637588254E-07 0.000000000000000E+00
|
|
z1= 3 0.230499811578858E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134598492455154E+02 read= 0.127912373391548E+02)
|
|
Weight for this step=-0.48585E+00 -0.33292E+01
|
|
|
|
Lanczos iteration: 27 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000027)= 0.000000
|
|
beta (00000027)= 12.791237
|
|
gamma(00000027)= 12.791237
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127912373391548E+02 read= 0.134161162185539E+02)
|
|
Weight for this step= 0.61888E+00 0.63077E+01
|
|
|
|
Lanczos iteration: 28 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000028)= 0.000000
|
|
beta (00000028)= 13.416116
|
|
gamma(00000028)= 13.416116
|
|
z1= 1 -0.199653931247357E-07 0.000000000000000E+00
|
|
z1= 2 -0.533807847411623E-07 0.000000000000000E+00
|
|
z1= 3 -0.219763883116795E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134161162185539E+02 read= 0.127721363108463E+02)
|
|
Weight for this step= 0.49295E+00 0.34819E+01
|
|
|
|
Lanczos iteration: 29 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000029)= 0.000000
|
|
beta (00000029)= 12.772136
|
|
gamma(00000029)= 12.772136
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127721363108463E+02 read= 0.134346363447837E+02)
|
|
Weight for this step=-0.62510E+00 -0.64473E+01
|
|
|
|
Lanczos iteration: 30 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000030)= 0.000000
|
|
beta (00000030)= 13.434636
|
|
gamma(00000030)= 13.434636
|
|
z1= 1 0.175465962055769E-07 0.000000000000000E+00
|
|
z1= 2 0.571899363567118E-07 0.000000000000000E+00
|
|
z1= 3 0.208926702542151E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134346363447837E+02 read= 0.128089258568116E+02)
|
|
Weight for this step=-0.49861E+00 -0.36244E+01
|
|
|
|
Lanczos iteration: 31 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000031)= 0.000000
|
|
beta (00000031)= 12.808926
|
|
gamma(00000031)= 12.808926
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128089258568116E+02 read= 0.134186056602046E+02)
|
|
Weight for this step= 0.63043E+00 0.65769E+01
|
|
|
|
Lanczos iteration: 32 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000032)= 0.000000
|
|
beta (00000032)= 13.418606
|
|
gamma(00000032)= 13.418606
|
|
z1= 1 -0.151201325708755E-07 0.000000000000000E+00
|
|
z1= 2 -0.609180214548302E-07 0.000000000000000E+00
|
|
z1= 3 -0.199434032874749E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134186056602046E+02 read= 0.127406574880182E+02)
|
|
Weight for this step= 0.50622E+00 0.37806E+01
|
|
|
|
Lanczos iteration: 33 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000033)= 0.000000
|
|
beta (00000033)= 12.740657
|
|
gamma(00000033)= 12.740657
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127406574880182E+02 read= 0.133781589422039E+02)
|
|
Weight for this step=-0.63827E+00 -0.67326E+01
|
|
|
|
Lanczos iteration: 34 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000034)= 0.000000
|
|
beta (00000034)= 13.378159
|
|
gamma(00000034)= 13.378159
|
|
z1= 1 0.126452714764146E-07 0.000000000000000E+00
|
|
z1= 2 0.642303678363839E-07 0.000000000000000E+00
|
|
z1= 3 0.189930521478223E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133781589422039E+02 read= 0.127882793614676E+02)
|
|
Weight for this step=-0.51283E+00 -0.39300E+01
|
|
|
|
Lanczos iteration: 35 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000035)= 0.000000
|
|
beta (00000035)= 12.788279
|
|
gamma(00000035)= 12.788279
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127882793614676E+02 read= 0.134421010673393E+02)
|
|
Weight for this step= 0.64176E+00 0.68420E+01
|
|
|
|
Lanczos iteration: 36 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000036)= 0.000000
|
|
beta (00000036)= 13.442101
|
|
gamma(00000036)= 13.442101
|
|
z1= 1 -0.101915949210756E-07 0.000000000000000E+00
|
|
z1= 2 -0.671510475348022E-07 0.000000000000000E+00
|
|
z1= 3 -0.180692330444849E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134421010673393E+02 read= 0.127825837254630E+02)
|
|
Weight for this step= 0.51863E+00 0.40720E+01
|
|
|
|
Lanczos iteration: 37 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000037)= 0.000000
|
|
beta (00000037)= 12.782584
|
|
gamma(00000037)= 12.782584
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127825837254630E+02 read= 0.133871372567343E+02)
|
|
Weight for this step=-0.64864E+00 -0.69864E+01
|
|
|
|
Lanczos iteration: 38 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000038)= 0.000000
|
|
beta (00000038)= 13.387137
|
|
gamma(00000038)= 13.387137
|
|
z1= 1 0.782175071706217E-08 0.000000000000000E+00
|
|
z1= 2 0.700879441021054E-07 0.000000000000000E+00
|
|
z1= 3 0.172532394205373E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133871372567343E+02 read= 0.127373113617197E+02)
|
|
Weight for this step=-0.52640E+00 -0.42298E+01
|
|
|
|
Lanczos iteration: 39 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000039)= 0.000000
|
|
beta (00000039)= 12.737311
|
|
gamma(00000039)= 12.737311
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127373113617197E+02 read= 0.133334554027937E+02)
|
|
Weight for this step= 0.65501E+00 0.71254E+01
|
|
|
|
Lanczos iteration: 40 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000040)= 0.000000
|
|
beta (00000040)= 13.333455
|
|
gamma(00000040)= 13.333455
|
|
z1= 1 -0.555616769129866E-08 0.000000000000000E+00
|
|
z1= 2 -0.728895229338763E-07 0.000000000000000E+00
|
|
z1= 3 -0.164818402926247E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133334554027937E+02 read= 0.126896400945288E+02)
|
|
Weight for this step= 0.53449E+00 0.43906E+01
|
|
|
|
Lanczos iteration: 41 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000041)= 0.000000
|
|
beta (00000041)= 12.689640
|
|
gamma(00000041)= 12.689640
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126896400945288E+02 read= 0.133576094814691E+02)
|
|
Weight for this step=-0.66101E+00 -0.72604E+01
|
|
|
|
Lanczos iteration: 42 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000042)= 0.000000
|
|
beta (00000042)= 13.357609
|
|
gamma(00000042)= 13.357609
|
|
z1= 1 0.336824230551085E-08 0.000000000000000E+00
|
|
z1= 2 0.751899946623523E-07 0.000000000000000E+00
|
|
z1= 3 0.156576385691662E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133576094814691E+02 read= 0.127519610146434E+02)
|
|
Weight for this step=-0.53961E+00 -0.45269E+01
|
|
|
|
Lanczos iteration: 43 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000043)= 0.000000
|
|
beta (00000043)= 12.751961
|
|
gamma(00000043)= 12.751961
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127519610146434E+02 read= 0.133754396098966E+02)
|
|
Weight for this step= 0.66506E+00 0.73728E+01
|
|
|
|
Lanczos iteration: 44 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000044)= 0.000000
|
|
beta (00000044)= 13.375440
|
|
gamma(00000044)= 13.375440
|
|
z1= 1 -0.133937986098115E-08 0.000000000000000E+00
|
|
z1= 2 -0.777470042559979E-07 0.000000000000000E+00
|
|
z1= 3 -0.149277782591646E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133754396098966E+02 read= 0.127762551798054E+02)
|
|
Weight for this step= 0.54646E+00 0.46767E+01
|
|
|
|
Lanczos iteration: 45 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000045)= 0.000000
|
|
beta (00000045)= 12.776255
|
|
gamma(00000045)= 12.776255
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127762551798054E+02 read= 0.134084255007655E+02)
|
|
Weight for this step=-0.66862E+00 -0.74789E+01
|
|
|
|
Lanczos iteration: 46 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000046)= 0.000000
|
|
beta (00000046)= 13.408426
|
|
gamma(00000046)= 13.408426
|
|
z1= 1 -0.615599559012931E-09 0.000000000000000E+00
|
|
z1= 2 0.803311764174114E-07 0.000000000000000E+00
|
|
z1= 3 0.142239746415974E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134084255007655E+02 read= 0.127357551670733E+02)
|
|
Weight for this step=-0.55278E+00 -0.48214E+01
|
|
|
|
Lanczos iteration: 47 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000047)= 0.000000
|
|
beta (00000047)= 12.735755
|
|
gamma(00000047)= 12.735755
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127357551670733E+02 read= 0.134095545392035E+02)
|
|
Weight for this step= 0.67590E+00 0.76261E+01
|
|
|
|
Lanczos iteration: 48 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000048)= 0.000000
|
|
beta (00000048)= 13.409555
|
|
gamma(00000048)= 13.409555
|
|
z1= 1 0.257371900912661E-08 0.000000000000000E+00
|
|
z1= 2 -0.827962481490026E-07 0.000000000000000E+00
|
|
z1= 3 -0.135092525265051E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134095545392035E+02 read= 0.128520036563263E+02)
|
|
Weight for this step= 0.55743E+00 0.49515E+01
|
|
|
|
Lanczos iteration: 49 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000049)= 0.000000
|
|
beta (00000049)= 12.852004
|
|
gamma(00000049)= 12.852004
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128520036563263E+02 read= 0.133720384498349E+02)
|
|
Weight for this step=-0.67722E+00 -0.77047E+01
|
|
|
|
Lanczos iteration: 50 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000050)= 0.000000
|
|
beta (00000050)= 13.372038
|
|
gamma(00000050)= 13.372038
|
|
z1= 1 -0.452412825431570E-08 0.000000000000000E+00
|
|
z1= 2 0.862174555570864E-07 0.000000000000000E+00
|
|
z1= 3 0.129838815163609E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133720384498349E+02 read= 0.126611464100524E+02)
|
|
Weight for this step=-0.56832E+00 -0.51361E+01
|
|
|
|
Lanczos iteration: 51 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000051)= 0.000000
|
|
beta (00000051)= 12.661146
|
|
gamma(00000051)= 12.661146
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126611464100524E+02 read= 0.133321222077899E+02)
|
|
Weight for this step= 0.68626E+00 0.78717E+01
|
|
|
|
Lanczos iteration: 52 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000052)= 0.000000
|
|
beta (00000052)= 13.332122
|
|
gamma(00000052)= 13.332122
|
|
z1= 1 0.644402806321883E-08 0.000000000000000E+00
|
|
z1= 2 -0.886825434988012E-07 0.000000000000000E+00
|
|
z1= 3 -0.123304318912833E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133321222077899E+02 read= 0.127228194527865E+02)
|
|
Weight for this step= 0.57283E+00 0.52642E+01
|
|
|
|
Lanczos iteration: 53 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000053)= 0.000000
|
|
beta (00000053)= 12.722819
|
|
gamma(00000053)= 12.722819
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127228194527865E+02 read= 0.133311332263705E+02)
|
|
Weight for this step=-0.69007E+00 -0.79778E+01
|
|
|
|
Lanczos iteration: 54 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000054)= 0.000000
|
|
beta (00000054)= 13.331133
|
|
gamma(00000054)= 13.331133
|
|
z1= 1 -0.836757255699054E-08 0.000000000000000E+00
|
|
z1= 2 0.914386203538196E-07 0.000000000000000E+00
|
|
z1= 3 0.117677811828747E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133311332263705E+02 read= 0.127582798526734E+02)
|
|
Weight for this step=-0.57997E+00 -0.54158E+01
|
|
|
|
Lanczos iteration: 55 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000055)= 0.000000
|
|
beta (00000055)= 12.758280
|
|
gamma(00000055)= 12.758280
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127582798526734E+02 read= 0.134060405213905E+02)
|
|
Weight for this step= 0.69172E+00 0.80581E+01
|
|
|
|
Lanczos iteration: 56 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000056)= 0.000000
|
|
beta (00000056)= 13.406041
|
|
gamma(00000056)= 13.406041
|
|
z1= 1 0.102091661920655E-07 0.000000000000000E+00
|
|
z1= 2 -0.937140644861976E-07 0.000000000000000E+00
|
|
z1= 3 -0.111991788579620E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134060405213905E+02 read= 0.128473550080012E+02)
|
|
Weight for this step= 0.58513E+00 0.55476E+01
|
|
|
|
Lanczos iteration: 57 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000057)= 0.000000
|
|
beta (00000057)= 12.847355
|
|
gamma(00000057)= 12.847355
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128473550080012E+02 read= 0.134039087697073E+02)
|
|
Weight for this step=-0.69242E+00 -0.81258E+01
|
|
|
|
Lanczos iteration: 58 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000058)= 0.000000
|
|
beta (00000058)= 13.403909
|
|
gamma(00000058)= 13.403909
|
|
z1= 1 -0.120745643380203E-07 0.000000000000000E+00
|
|
z1= 2 0.964236554937097E-07 0.000000000000000E+00
|
|
z1= 3 0.107341693425657E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134039087697073E+02 read= 0.127085134221952E+02)
|
|
Weight for this step=-0.59404E+00 -0.57141E+01
|
|
|
|
Lanczos iteration: 59 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000059)= 0.000000
|
|
beta (00000059)= 12.708513
|
|
gamma(00000059)= 12.708513
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127085134221952E+02 read= 0.134059901641901E+02)
|
|
Weight for this step= 0.70016E+00 0.82760E+01
|
|
|
|
Lanczos iteration: 60 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000060)= 0.000000
|
|
beta (00000060)= 13.405990
|
|
gamma(00000060)= 13.405990
|
|
z1= 1 0.137759530558662E-07 0.000000000000000E+00
|
|
z1= 2 -0.979040684289615E-07 0.000000000000000E+00
|
|
z1= 3 -0.101757000784995E+00 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134059901641901E+02 read= 0.128114179979855E+02)
|
|
Weight for this step= 0.59670E+00 0.58210E+01
|
|
|
|
Lanczos iteration: 61 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000061)= 0.000000
|
|
beta (00000061)= 12.811418
|
|
gamma(00000061)= 12.811418
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128114179979855E+02 read= 0.133962328578582E+02)
|
|
Weight for this step=-0.70262E+00 -0.83627E+01
|
|
|
|
Lanczos iteration: 62 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000062)= 0.000000
|
|
beta (00000062)= 13.396233
|
|
gamma(00000062)= 13.396233
|
|
z1= 1 -0.155035898280064E-07 0.000000000000000E+00
|
|
z1= 2 0.100016453746408E-06 0.000000000000000E+00
|
|
z1= 3 0.973147813352012E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133962328578582E+02 read= 0.128679185227013E+02)
|
|
Weight for this step=-0.60436E+00 -0.59756E+01
|
|
|
|
Lanczos iteration: 63 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000063)= 0.000000
|
|
beta (00000063)= 12.867919
|
|
gamma(00000063)= 12.867919
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128679185227013E+02 read= 0.134205612463548E+02)
|
|
Weight for this step= 0.70119E+00 0.84020E+01
|
|
|
|
Lanczos iteration: 64 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000064)= 0.000000
|
|
beta (00000064)= 13.420561
|
|
gamma(00000064)= 13.420561
|
|
z1= 1 0.171764863174731E-07 0.000000000000000E+00
|
|
z1= 2 -0.102124337842411E-06 0.000000000000000E+00
|
|
z1= 3 -0.933074745749541E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134205612463548E+02 read= 0.128519347277367E+02)
|
|
Weight for this step= 0.61305E+00 0.61394E+01
|
|
|
|
Lanczos iteration: 65 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000065)= 0.000000
|
|
beta (00000065)= 12.851935
|
|
gamma(00000065)= 12.851935
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128519347277367E+02 read= 0.134895281960787E+02)
|
|
Weight for this step=-0.70147E+00 -0.84610E+01
|
|
|
|
Lanczos iteration: 66 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000066)= 0.000000
|
|
beta (00000066)= 13.489528
|
|
gamma(00000066)= 13.489528
|
|
z1= 1 -0.186445232131871E-07 0.000000000000000E+00
|
|
z1= 2 0.103402777643482E-06 0.000000000000000E+00
|
|
z1= 3 0.888972212679646E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134895281960787E+02 read= 0.128072348570053E+02)
|
|
Weight for this step=-0.61749E+00 -0.62598E+01
|
|
|
|
Lanczos iteration: 67 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000067)= 0.000000
|
|
beta (00000067)= 12.807235
|
|
gamma(00000067)= 12.807235
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128072348570053E+02 read= 0.134057748258813E+02)
|
|
Weight for this step= 0.70776E+00 0.85917E+01
|
|
|
|
Lanczos iteration: 68 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000068)= 0.000000
|
|
beta (00000068)= 13.405775
|
|
gamma(00000068)= 13.405775
|
|
z1= 1 0.200791582084065E-07 0.000000000000000E+00
|
|
z1= 2 -0.105035403403326E-06 0.000000000000000E+00
|
|
z1= 3 -0.849281451987348E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134057748258813E+02 read= 0.127834355841213E+02)
|
|
Weight for this step= 0.62384E+00 0.63999E+01
|
|
|
|
Lanczos iteration: 69 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000069)= 0.000000
|
|
beta (00000069)= 12.783436
|
|
gamma(00000069)= 12.783436
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127834355841213E+02 read= 0.133624846301193E+02)
|
|
Weight for this step=-0.71078E+00 -0.86822E+01
|
|
|
|
Lanczos iteration: 70 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000070)= 0.000000
|
|
beta (00000070)= 13.362485
|
|
gamma(00000070)= 13.362485
|
|
z1= 1 -0.213621094345652E-07 0.000000000000000E+00
|
|
z1= 2 0.106952149475301E-06 0.000000000000000E+00
|
|
z1= 3 0.812478744394436E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133624846301193E+02 read= 0.128141987131815E+02)
|
|
Weight for this step=-0.63097E+00 -0.65480E+01
|
|
|
|
Lanczos iteration: 71 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000071)= 0.000000
|
|
beta (00000071)= 12.814199
|
|
gamma(00000071)= 12.814199
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128141987131815E+02 read= 0.134336355734915E+02)
|
|
Weight for this step= 0.70947E+00 0.87192E+01
|
|
|
|
Lanczos iteration: 72 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000072)= 0.000000
|
|
beta (00000072)= 13.433636
|
|
gamma(00000072)= 13.433636
|
|
z1= 1 0.224124056809154E-07 0.000000000000000E+00
|
|
z1= 2 -0.108633666283690E-06 0.000000000000000E+00
|
|
z1= 3 -0.775014628314837E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134336355734915E+02 read= 0.128171548815166E+02)
|
|
Weight for this step= 0.63580E+00 0.66710E+01
|
|
|
|
Lanczos iteration: 73 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000073)= 0.000000
|
|
beta (00000073)= 12.817155
|
|
gamma(00000073)= 12.817155
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128171548815166E+02 read= 0.132766254554473E+02)
|
|
Weight for this step=-0.71164E+00 -0.87978E+01
|
|
|
|
Lanczos iteration: 74 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000074)= 0.000000
|
|
beta (00000074)= 13.276625
|
|
gamma(00000074)= 13.276625
|
|
z1= 1 -0.236746340003934E-07 0.000000000000000E+00
|
|
z1= 2 0.111776419710330E-06 0.000000000000000E+00
|
|
z1= 3 0.748193323663935E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132766254554473E+02 read= 0.127707361741721E+02)
|
|
Weight for this step=-0.64822E+00 -0.68739E+01
|
|
|
|
Lanczos iteration: 75 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000075)= 0.000000
|
|
beta (00000075)= 12.770736
|
|
gamma(00000075)= 12.770736
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127707361741721E+02 read= 0.133758745740568E+02)
|
|
Weight for this step= 0.70714E+00 0.87939E+01
|
|
|
|
Lanczos iteration: 76 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000076)= 0.000000
|
|
beta (00000076)= 13.375875
|
|
gamma(00000076)= 13.375875
|
|
z1= 1 0.246187876858572E-07 0.000000000000000E+00
|
|
z1= 2 -0.113693239593704E-06 0.000000000000000E+00
|
|
z1= 3 -0.714344283873706E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133758745740568E+02 read= 0.127589886127697E+02)
|
|
Weight for this step= 0.65285E+00 0.69933E+01
|
|
|
|
Lanczos iteration: 77 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000077)= 0.000000
|
|
beta (00000077)= 12.758989
|
|
gamma(00000077)= 12.758989
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127589886127697E+02 read= 0.134163879400912E+02)
|
|
Weight for this step=-0.70839E+00 -0.88602E+01
|
|
|
|
Lanczos iteration: 78 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000078)= 0.000000
|
|
beta (00000078)= 13.416388
|
|
gamma(00000078)= 13.416388
|
|
z1= 1 -0.254251692066590E-07 0.000000000000000E+00
|
|
z1= 2 0.115351053543841E-06 0.000000000000000E+00
|
|
z1= 3 0.679341609995198E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134163879400912E+02 read= 0.127770693641208E+02)
|
|
Weight for this step=-0.65476E+00 -0.70830E+01
|
|
|
|
Lanczos iteration: 79 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000079)= 0.000000
|
|
beta (00000079)= 12.777069
|
|
gamma(00000079)= 12.777069
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127770693641208E+02 read= 0.133427371036609E+02)
|
|
Weight for this step= 0.71084E+00 0.89406E+01
|
|
|
|
Lanczos iteration: 80 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000080)= 0.000000
|
|
beta (00000080)= 13.342737
|
|
gamma(00000080)= 13.342737
|
|
z1= 1 0.263466655148464E-07 0.000000000000000E+00
|
|
z1= 2 -0.117947642356729E-06 0.000000000000000E+00
|
|
z1= 3 -0.650540800242596E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133427371036609E+02 read= 0.128095555577849E+02)
|
|
Weight for this step= 0.66120E+00 0.72214E+01
|
|
|
|
Lanczos iteration: 81 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000081)= 0.000000
|
|
beta (00000081)= 12.809556
|
|
gamma(00000081)= 12.809556
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128095555577849E+02 read= 0.134134791379457E+02)
|
|
Weight for this step=-0.70720E+00 -0.89437E+01
|
|
|
|
Lanczos iteration: 82 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000082)= 0.000000
|
|
beta (00000082)= 13.413479
|
|
gamma(00000082)= 13.413479
|
|
z1= 1 -0.271191703175942E-07 0.000000000000000E+00
|
|
z1= 2 0.120227481964410E-06 0.000000000000000E+00
|
|
z1= 3 0.621251089118228E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134134791379457E+02 read= 0.128171386424191E+02)
|
|
Weight for this step=-0.66528E+00 -0.73328E+01
|
|
|
|
Lanczos iteration: 83 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000083)= 0.000000
|
|
beta (00000083)= 12.817139
|
|
gamma(00000083)= 12.817139
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128171386424191E+02 read= 0.133748244121419E+02)
|
|
Weight for this step= 0.70670E+00 0.89853E+01
|
|
|
|
Lanczos iteration: 84 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000084)= 0.000000
|
|
beta (00000084)= 13.374824
|
|
gamma(00000084)= 13.374824
|
|
z1= 1 0.279547857804860E-07 0.000000000000000E+00
|
|
z1= 2 -0.123018790533025E-06 0.000000000000000E+00
|
|
z1= 3 -0.595346981434279E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133748244121419E+02 read= 0.127869930379458E+02)
|
|
Weight for this step= 0.67146E+00 0.74669E+01
|
|
|
|
Lanczos iteration: 85 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000085)= 0.000000
|
|
beta (00000085)= 12.786993
|
|
gamma(00000085)= 12.786993
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127869930379458E+02 read= 0.133112733377604E+02)
|
|
Weight for this step=-0.70540E+00 -0.90160E+01
|
|
|
|
Lanczos iteration: 86 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000086)= 0.000000
|
|
beta (00000086)= 13.311273
|
|
gamma(00000086)= 13.311273
|
|
z1= 1 -0.288526173857179E-07 0.000000000000000E+00
|
|
z1= 2 0.126053867569509E-06 0.000000000000000E+00
|
|
z1= 3 0.571898533941679E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133112733377604E+02 read= 0.127546606016144E+02)
|
|
Weight for this step=-0.67902E+00 -0.76162E+01
|
|
|
|
Lanczos iteration: 87 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000087)= 0.000000
|
|
beta (00000087)= 12.754661
|
|
gamma(00000087)= 12.754661
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127546606016144E+02 read= 0.134074234634249E+02)
|
|
Weight for this step= 0.70193E+00 0.90185E+01
|
|
|
|
Lanczos iteration: 88 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000088)= 0.000000
|
|
beta (00000088)= 13.407423
|
|
gamma(00000088)= 13.407423
|
|
z1= 1 0.294335325600262E-07 0.000000000000000E+00
|
|
z1= 2 -0.127695847671524E-06 0.000000000000000E+00
|
|
z1= 3 -0.544054696182740E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134074234634249E+02 read= 0.128996229202473E+02)
|
|
Weight for this step= 0.67956E+00 0.76858E+01
|
|
|
|
Lanczos iteration: 89 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000089)= 0.000000
|
|
beta (00000089)= 12.899623
|
|
gamma(00000089)= 12.899623
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128996229202473E+02 read= 0.132846944282030E+02)
|
|
Weight for this step=-0.69567E+00 -0.89835E+01
|
|
|
|
Lanczos iteration: 90 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000090)= 0.000000
|
|
beta (00000090)= 13.284694
|
|
gamma(00000090)= 13.284694
|
|
z1= 1 -0.305213885470673E-07 0.000000000000000E+00
|
|
z1= 2 0.131763264811383E-06 0.000000000000000E+00
|
|
z1= 3 0.528284671256560E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132846944282030E+02 read= 0.127068681601180E+02)
|
|
Weight for this step=-0.69347E+00 -0.79057E+01
|
|
|
|
Lanczos iteration: 91 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000091)= 0.000000
|
|
beta (00000091)= 12.706868
|
|
gamma(00000091)= 12.706868
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127068681601180E+02 read= 0.133719638703772E+02)
|
|
Weight for this step= 0.69221E+00 0.89847E+01
|
|
|
|
Lanczos iteration: 92 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000092)= 0.000000
|
|
beta (00000092)= 13.371964
|
|
gamma(00000092)= 13.371964
|
|
z1= 1 0.309491136098465E-07 0.000000000000000E+00
|
|
z1= 2 -0.132850508214113E-06 0.000000000000000E+00
|
|
z1= 3 -0.502008809905575E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133719638703772E+02 read= 0.127717141643063E+02)
|
|
Weight for this step= 0.69219E+00 0.79524E+01
|
|
|
|
Lanczos iteration: 93 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000093)= 0.000000
|
|
beta (00000093)= 12.771714
|
|
gamma(00000093)= 12.771714
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127717141643063E+02 read= 0.133508955887957E+02)
|
|
Weight for this step=-0.68988E+00 -0.89993E+01
|
|
|
|
Lanczos iteration: 94 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000094)= 0.000000
|
|
beta (00000094)= 13.350896
|
|
gamma(00000094)= 13.350896
|
|
z1= 1 -0.315802114986925E-07 0.000000000000000E+00
|
|
z1= 2 0.134732490708871E-06 0.000000000000000E+00
|
|
z1= 3 0.480230931733015E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133508955887957E+02 read= 0.128052033782649E+02)
|
|
Weight for this step=-0.69531E+00 -0.80487E+01
|
|
|
|
Lanczos iteration: 95 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000095)= 0.000000
|
|
beta (00000095)= 12.805203
|
|
gamma(00000095)= 12.805203
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128052033782649E+02 read= 0.133820990102294E+02)
|
|
Weight for this step= 0.68437E+00 0.89713E+01
|
|
|
|
Lanczos iteration: 96 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000096)= 0.000000
|
|
beta (00000096)= 13.382099
|
|
gamma(00000096)= 13.382099
|
|
z1= 1 0.321313102058887E-07 0.000000000000000E+00
|
|
z1= 2 -0.136408306635437E-06 0.000000000000000E+00
|
|
z1= 3 -0.459528415136831E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133820990102294E+02 read= 0.128185792739289E+02)
|
|
Weight for this step= 0.69814E+00 0.81406E+01
|
|
|
|
Lanczos iteration: 97 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000097)= 0.000000
|
|
beta (00000097)= 12.818579
|
|
gamma(00000097)= 12.818579
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128185792739289E+02 read= 0.135243217401606E+02)
|
|
Weight for this step=-0.67944E+00 -0.89499E+01
|
|
|
|
Lanczos iteration: 98 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000098)= 0.000000
|
|
beta (00000098)= 13.524322
|
|
gamma(00000098)= 13.524322
|
|
z1= 1 -0.323318432954257E-07 0.000000000000000E+00
|
|
z1= 2 0.136554114972412E-06 0.000000000000000E+00
|
|
z1= 3 0.435548749225810E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135243217401606E+02 read= 0.130599079043375E+02)
|
|
Weight for this step=-0.69394E+00 -0.81490E+01
|
|
|
|
Lanczos iteration: 99 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000099)= 0.000000
|
|
beta (00000099)= 13.059908
|
|
gamma(00000099)= 13.059908
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130599079043375E+02 read= 0.135086286561939E+02)
|
|
Weight for this step= 0.66944E+00 0.88597E+01
|
|
|
|
Lanczos iteration: 100 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000100)= 0.000000
|
|
beta (00000100)= 13.508629
|
|
gamma(00000100)= 13.508629
|
|
z1= 1 0.330653888811904E-07 0.000000000000000E+00
|
|
z1= 2 -0.139183575556361E-06 0.000000000000000E+00
|
|
z1= 3 -0.421080977019112E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135086286561939E+02 read= 0.126954584092168E+02)
|
|
Weight for this step= 0.70267E+00 0.83077E+01
|
|
|
|
Lanczos iteration: 101 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000101)= 0.000000
|
|
beta (00000101)= 12.695458
|
|
gamma(00000101)= 12.695458
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126954584092168E+02 read= 0.133887701348425E+02)
|
|
Weight for this step=-0.67674E+00 -0.89987E+01
|
|
|
|
Lanczos iteration: 102 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000102)= 0.000000
|
|
beta (00000102)= 13.388770
|
|
gamma(00000102)= 13.388770
|
|
z1= 1 -0.331760186383359E-07 0.000000000000000E+00
|
|
z1= 2 0.139252801056909E-06 0.000000000000000E+00
|
|
z1= 3 0.399276108023301E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133887701348425E+02 read= 0.128705977227689E+02)
|
|
Weight for this step=-0.69870E+00 -0.83175E+01
|
|
|
|
Lanczos iteration: 103 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000103)= 0.000000
|
|
beta (00000103)= 12.870598
|
|
gamma(00000103)= 12.870598
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128705977227689E+02 read= 0.134324186639571E+02)
|
|
Weight for this step= 0.66910E+00 0.89379E+01
|
|
|
|
Lanczos iteration: 104 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000104)= 0.000000
|
|
beta (00000104)= 13.432419
|
|
gamma(00000104)= 13.432419
|
|
z1= 1 0.335660002302230E-07 0.000000000000000E+00
|
|
z1= 2 -0.140594263485353E-06 0.000000000000000E+00
|
|
z1= 3 -0.382576086648480E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134324186639571E+02 read= 0.128104484159579E+02)
|
|
Weight for this step= 0.70142E+00 0.84053E+01
|
|
|
|
Lanczos iteration: 105 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000105)= 0.000000
|
|
beta (00000105)= 12.810448
|
|
gamma(00000105)= 12.810448
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128104484159579E+02 read= 0.132219658818243E+02)
|
|
Weight for this step=-0.66640E+00 -0.89423E+01
|
|
|
|
Lanczos iteration: 106 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000106)= 0.000000
|
|
beta (00000106)= 13.221966
|
|
gamma(00000106)= 13.221966
|
|
z1= 1 -0.342497214890860E-07 0.000000000000000E+00
|
|
z1= 2 0.143491090463950E-06 0.000000000000000E+00
|
|
z1= 3 0.370668875339223E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132219658818243E+02 read= 0.127399313569404E+02)
|
|
Weight for this step=-0.71190E+00 -0.85864E+01
|
|
|
|
Lanczos iteration: 107 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000107)= 0.000000
|
|
beta (00000107)= 12.739931
|
|
gamma(00000107)= 12.739931
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127399313569404E+02 read= 0.133741052560875E+02)
|
|
Weight for this step= 0.65571E+00 0.88395E+01
|
|
|
|
Lanczos iteration: 108 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000108)= 0.000000
|
|
beta (00000108)= 13.374105
|
|
gamma(00000108)= 13.374105
|
|
z1= 1 0.342887328159697E-07 0.000000000000000E+00
|
|
z1= 2 -0.143777788695620E-06 0.000000000000000E+00
|
|
z1= 3 -0.353092482641152E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133741052560875E+02 read= 0.128403047631826E+02)
|
|
Weight for this step= 0.70958E+00 0.86120E+01
|
|
|
|
Lanczos iteration: 109 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000109)= 0.000000
|
|
beta (00000109)= 12.840305
|
|
gamma(00000109)= 12.840305
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128403047631826E+02 read= 0.132368932543034E+02)
|
|
Weight for this step=-0.64746E+00 -0.87678E+01
|
|
|
|
Lanczos iteration: 110 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000110)= 0.000000
|
|
beta (00000110)= 13.236893
|
|
gamma(00000110)= 13.236893
|
|
z1= 1 -0.348999006641792E-07 0.000000000000000E+00
|
|
z1= 2 0.146614635316379E-06 0.000000000000000E+00
|
|
z1= 3 0.342513533923618E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132368932543034E+02 read= 0.128338482146420E+02)
|
|
Weight for this step=-0.71967E+00 -0.87876E+01
|
|
|
|
Lanczos iteration: 111 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000111)= 0.000000
|
|
beta (00000111)= 12.833848
|
|
gamma(00000111)= 12.833848
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128338482146420E+02 read= 0.135644730687984E+02)
|
|
Weight for this step= 0.63178E+00 0.85949E+01
|
|
|
|
Lanczos iteration: 112 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000112)= 0.000000
|
|
beta (00000112)= 13.564473
|
|
gamma(00000112)= 13.564473
|
|
z1= 1 0.345552668245381E-07 0.000000000000000E+00
|
|
z1= 2 -0.145610146951903E-06 0.000000000000000E+00
|
|
z1= 3 -0.324064686003005E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135644730687984E+02 read= 0.129466153730412E+02)
|
|
Weight for this step= 0.71076E+00 0.87291E+01
|
|
|
|
Lanczos iteration: 113 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000113)= 0.000000
|
|
beta (00000113)= 12.946615
|
|
gamma(00000113)= 12.946615
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129466153730412E+02 read= 0.133084150308429E+02)
|
|
Weight for this step=-0.62666E+00 -0.85637E+01
|
|
|
|
Lanczos iteration: 114 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000114)= 0.000000
|
|
beta (00000114)= 13.308415
|
|
gamma(00000114)= 13.308415
|
|
z1= 1 -0.351029565520385E-07 0.000000000000000E+00
|
|
z1= 2 0.148685820499416E-06 0.000000000000000E+00
|
|
z1= 3 0.315254734387447E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133084150308429E+02 read= 0.128233559546935E+02)
|
|
Weight for this step=-0.72162E+00 -0.89131E+01
|
|
|
|
Lanczos iteration: 115 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000115)= 0.000000
|
|
beta (00000115)= 12.823356
|
|
gamma(00000115)= 12.823356
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128233559546935E+02 read= 0.134440160296752E+02)
|
|
Weight for this step= 0.61423E+00 0.84326E+01
|
|
|
|
Lanczos iteration: 116 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000116)= 0.000000
|
|
beta (00000116)= 13.444016
|
|
gamma(00000116)= 13.444016
|
|
z1= 1 0.348077719654121E-07 0.000000000000000E+00
|
|
z1= 2 -0.148731811127267E-06 0.000000000000000E+00
|
|
z1= 3 -0.300700599175815E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134440160296752E+02 read= 0.126207039972932E+02)
|
|
Weight for this step= 0.71759E+00 0.89122E+01
|
|
|
|
Lanczos iteration: 117 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000117)= 0.000000
|
|
beta (00000117)= 12.620704
|
|
gamma(00000117)= 12.620704
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126207039972932E+02 read= 0.133358344687172E+02)
|
|
Weight for this step=-0.61778E+00 -0.85204E+01
|
|
|
|
Lanczos iteration: 118 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000118)= 0.000000
|
|
beta (00000118)= 13.335834
|
|
gamma(00000118)= 13.335834
|
|
z1= 1 -0.342252137175143E-07 0.000000000000000E+00
|
|
z1= 2 0.147896673836429E-06 0.000000000000000E+00
|
|
z1= 3 0.284575611890579E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133358344687172E+02 read= 0.127902592800472E+02)
|
|
Weight for this step=-0.70879E+00 -0.88526E+01
|
|
|
|
Lanczos iteration: 119 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000119)= 0.000000
|
|
beta (00000119)= 12.790259
|
|
gamma(00000119)= 12.790259
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127902592800472E+02 read= 0.132027154901370E+02)
|
|
Weight for this step= 0.60855E+00 0.84307E+01
|
|
|
|
Lanczos iteration: 120 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000120)= 0.000000
|
|
beta (00000120)= 13.202715
|
|
gamma(00000120)= 13.202715
|
|
z1= 1 0.343833067239737E-07 0.000000000000000E+00
|
|
z1= 2 -0.150557913368313E-06 0.000000000000000E+00
|
|
z1= 3 -0.275685396960774E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132027154901370E+02 read= 0.125332059048846E+02)
|
|
Weight for this step= 0.71618E+00 0.89941E+01
|
|
|
|
Lanczos iteration: 121 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000121)= 0.000000
|
|
beta (00000121)= 12.533206
|
|
gamma(00000121)= 12.533206
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125332059048846E+02 read= 0.132558594920197E+02)
|
|
Weight for this step=-0.60437E+00 -0.84112E+01
|
|
|
|
Lanczos iteration: 122 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000122)= 0.000000
|
|
beta (00000122)= 13.255859
|
|
gamma(00000122)= 13.255859
|
|
z1= 1 -0.336811704869638E-07 0.000000000000000E+00
|
|
z1= 2 0.149668918370091E-06 0.000000000000000E+00
|
|
z1= 3 0.260656191110003E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132558594920197E+02 read= 0.127625185795595E+02)
|
|
Weight for this step=-0.70635E+00 -0.89191E+01
|
|
|
|
Lanczos iteration: 123 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000123)= 0.000000
|
|
beta (00000123)= 12.762519
|
|
gamma(00000123)= 12.762519
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127625185795595E+02 read= 0.133430417855019E+02)
|
|
Weight for this step= 0.59220E+00 0.82788E+01
|
|
|
|
Lanczos iteration: 124 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000124)= 0.000000
|
|
beta (00000124)= 13.343042
|
|
gamma(00000124)= 13.343042
|
|
z1= 1 0.333172079776899E-07 0.000000000000000E+00
|
|
z1= 2 -0.150384713187282E-06 0.000000000000000E+00
|
|
z1= 3 -0.249315675945288E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133430417855019E+02 read= 0.126968313133660E+02)
|
|
Weight for this step= 0.70405E+00 0.89373E+01
|
|
|
|
Lanczos iteration: 125 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000125)= 0.000000
|
|
beta (00000125)= 12.696831
|
|
gamma(00000125)= 12.696831
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126968313133660E+02 read= 0.134485533978193E+02)
|
|
Weight for this step=-0.58675E+00 -0.82394E+01
|
|
|
|
Lanczos iteration: 126 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000126)= 0.000000
|
|
beta (00000126)= 13.448553
|
|
gamma(00000126)= 13.448553
|
|
z1= 1 -0.325062476755778E-07 0.000000000000000E+00
|
|
z1= 2 0.149191961408752E-06 0.000000000000000E+00
|
|
z1= 3 0.235379894596577E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134485533978193E+02 read= 0.127069923701544E+02)
|
|
Weight for this step=-0.69264E+00 -0.88388E+01
|
|
|
|
Lanczos iteration: 127 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000127)= 0.000000
|
|
beta (00000127)= 12.706992
|
|
gamma(00000127)= 12.706992
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127069923701544E+02 read= 0.133427663564577E+02)
|
|
Weight for this step= 0.58600E+00 0.82648E+01
|
|
|
|
Lanczos iteration: 128 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000128)= 0.000000
|
|
beta (00000128)= 13.342766
|
|
gamma(00000128)= 13.342766
|
|
z1= 1 0.319615239849445E-07 0.000000000000000E+00
|
|
z1= 2 -0.149475010066181E-06 0.000000000000000E+00
|
|
z1= 3 -0.224164198399446E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133427663564577E+02 read= 0.127306977112896E+02)
|
|
Weight for this step= 0.68777E+00 0.88232E+01
|
|
|
|
Lanczos iteration: 129 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000129)= 0.000000
|
|
beta (00000129)= 12.730698
|
|
gamma(00000129)= 12.730698
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127306977112896E+02 read= 0.133290338408713E+02)
|
|
Weight for this step=-0.57951E+00 -0.82084E+01
|
|
|
|
Lanczos iteration: 130 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000130)= 0.000000
|
|
beta (00000130)= 13.329034
|
|
gamma(00000130)= 13.329034
|
|
z1= 1 -0.315016470338900E-07 0.000000000000000E+00
|
|
z1= 2 0.150283913888605E-06 0.000000000000000E+00
|
|
z1= 3 0.214101538159974E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133290338408713E+02 read= 0.126503656058438E+02)
|
|
Weight for this step=-0.68474E+00 -0.88303E+01
|
|
|
|
Lanczos iteration: 131 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000131)= 0.000000
|
|
beta (00000131)= 12.650366
|
|
gamma(00000131)= 12.650366
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126503656058438E+02 read= 0.131816926020708E+02)
|
|
Weight for this step= 0.57586E+00 0.81918E+01
|
|
|
|
Lanczos iteration: 132 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000132)= 0.000000
|
|
beta (00000132)= 13.181693
|
|
gamma(00000132)= 13.181693
|
|
z1= 1 0.311188039794853E-07 0.000000000000000E+00
|
|
z1= 2 -0.151874812546817E-06 0.000000000000000E+00
|
|
z1= 3 -0.205471544228827E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131816926020708E+02 read= 0.128925253910689E+02)
|
|
Weight for this step= 0.68512E+00 0.88812E+01
|
|
|
|
Lanczos iteration: 133 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000133)= 0.000000
|
|
beta (00000133)= 12.892525
|
|
gamma(00000133)= 12.892525
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128925253910689E+02 read= 0.133863088373043E+02)
|
|
Weight for this step=-0.55468E+00 -0.79246E+01
|
|
|
|
Lanczos iteration: 134 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000134)= 0.000000
|
|
beta (00000134)= 13.386309
|
|
gamma(00000134)= 13.386309
|
|
z1= 1 -0.307528215408488E-07 0.000000000000000E+00
|
|
z1= 2 0.153487817056901E-06 0.000000000000000E+00
|
|
z1= 3 0.197892274360955E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133863088373043E+02 read= 0.128027789450802E+02)
|
|
Weight for this step=-0.68638E+00 -0.89411E+01
|
|
|
|
Lanczos iteration: 135 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000135)= 0.000000
|
|
beta (00000135)= 12.802779
|
|
gamma(00000135)= 12.802779
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128027789450802E+02 read= 0.134760861710509E+02)
|
|
Weight for this step= 0.54556E+00 0.78286E+01
|
|
|
|
Lanczos iteration: 136 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000136)= 0.000000
|
|
beta (00000136)= 13.476086
|
|
gamma(00000136)= 13.476086
|
|
z1= 1 0.300225032439359E-07 0.000000000000000E+00
|
|
z1= 2 -0.152861929751268E-06 0.000000000000000E+00
|
|
z1= 3 -0.188004960151192E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134760861710509E+02 read= 0.128583203634854E+02)
|
|
Weight for this step= 0.67800E+00 0.88747E+01
|
|
|
|
Lanczos iteration: 137 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000137)= 0.000000
|
|
beta (00000137)= 12.858320
|
|
gamma(00000137)= 12.858320
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128583203634854E+02 read= 0.134064078672904E+02)
|
|
Weight for this step=-0.53795E+00 -0.77528E+01
|
|
|
|
Lanczos iteration: 138 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000138)= 0.000000
|
|
beta (00000138)= 13.406408
|
|
gamma(00000138)= 13.406408
|
|
z1= 1 -0.295677570790175E-07 0.000000000000000E+00
|
|
z1= 2 0.153614095939380E-06 0.000000000000000E+00
|
|
z1= 3 0.180318846888621E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134064078672904E+02 read= 0.130378604219479E+02)
|
|
Weight for this step=-0.67597E+00 -0.88905E+01
|
|
|
|
Lanczos iteration: 139 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000139)= 0.000000
|
|
beta (00000139)= 13.037860
|
|
gamma(00000139)= 13.037860
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130378604219479E+02 read= 0.133718665833509E+02)
|
|
Weight for this step= 0.51990E+00 0.75255E+01
|
|
|
|
Lanczos iteration: 140 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000140)= 0.000000
|
|
beta (00000140)= 13.371867
|
|
gamma(00000140)= 13.371867
|
|
z1= 1 0.295620234155413E-07 0.000000000000000E+00
|
|
z1= 2 -0.156574166820008E-06 0.000000000000000E+00
|
|
z1= 3 -0.175814793134984E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133718665833509E+02 read= 0.128274245208071E+02)
|
|
Weight for this step= 0.68398E+00 0.90369E+01
|
|
|
|
Lanczos iteration: 141 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000141)= 0.000000
|
|
beta (00000141)= 12.827425
|
|
gamma(00000141)= 12.827425
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128274245208071E+02 read= 0.134285429207005E+02)
|
|
Weight for this step=-0.50777E+00 -0.73837E+01
|
|
|
|
Lanczos iteration: 142 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000142)= 0.000000
|
|
beta (00000142)= 13.428543
|
|
gamma(00000142)= 13.428543
|
|
z1= 1 -0.289735331941167E-07 0.000000000000000E+00
|
|
z1= 2 0.156155611414531E-06 0.000000000000000E+00
|
|
z1= 3 0.167944579087863E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134285429207005E+02 read= 0.127436337586408E+02)
|
|
Weight for this step=-0.67756E+00 -0.89923E+01
|
|
|
|
Lanczos iteration: 143 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000143)= 0.000000
|
|
beta (00000143)= 12.743634
|
|
gamma(00000143)= 12.743634
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127436337586408E+02 read= 0.135244377937735E+02)
|
|
Weight for this step= 0.50096E+00 0.73186E+01
|
|
|
|
Lanczos iteration: 144 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000144)= 0.000000
|
|
beta (00000144)= 13.524438
|
|
gamma(00000144)= 13.524438
|
|
z1= 1 0.279326698330662E-07 0.000000000000000E+00
|
|
z1= 2 -0.153609240868282E-06 0.000000000000000E+00
|
|
z1= 3 -0.158248663662022E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135244377937735E+02 read= 0.128725689749576E+02)
|
|
Weight for this step= 0.66215E+00 0.88274E+01
|
|
|
|
Lanczos iteration: 145 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000145)= 0.000000
|
|
beta (00000145)= 12.872569
|
|
gamma(00000145)= 12.872569
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128725689749576E+02 read= 0.133475640682118E+02)
|
|
Weight for this step=-0.49334E+00 -0.72403E+01
|
|
|
|
Lanczos iteration: 146 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000146)= 0.000000
|
|
beta (00000146)= 13.347564
|
|
gamma(00000146)= 13.347564
|
|
z1= 1 -0.274202726707415E-07 0.000000000000000E+00
|
|
z1= 2 0.154700843908758E-06 0.000000000000000E+00
|
|
z1= 3 0.152617123826787E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133475640682118E+02 read= 0.130029248444209E+02)
|
|
Weight for this step=-0.66224E+00 -0.88684E+01
|
|
|
|
Lanczos iteration: 147 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000147)= 0.000000
|
|
beta (00000147)= 13.002925
|
|
gamma(00000147)= 13.002925
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130029248444209E+02 read= 0.134541305641371E+02)
|
|
Weight for this step= 0.47376E+00 0.69857E+01
|
|
|
|
Lanczos iteration: 148 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000148)= 0.000000
|
|
beta (00000148)= 13.454131
|
|
gamma(00000148)= 13.454131
|
|
z1= 1 0.268907706895262E-07 0.000000000000000E+00
|
|
z1= 2 -0.155875041894048E-06 0.000000000000000E+00
|
|
z1= 3 -0.147498865246716E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134541305641371E+02 read= 0.128254533567429E+02)
|
|
Weight for this step= 0.66256E+00 0.89109E+01
|
|
|
|
Lanczos iteration: 149 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000149)= 0.000000
|
|
beta (00000149)= 12.825453
|
|
gamma(00000149)= 12.825453
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128254533567429E+02 read= 0.134399083904921E+02)
|
|
Weight for this step=-0.46386E+00 -0.68732E+01
|
|
|
|
Lanczos iteration: 150 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000150)= 0.000000
|
|
beta (00000150)= 13.439908
|
|
gamma(00000150)= 13.439908
|
|
z1= 1 -0.260740469819548E-07 0.000000000000000E+00
|
|
z1= 2 0.155117414799862E-06 0.000000000000000E+00
|
|
z1= 3 0.140755410039294E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134399083904921E+02 read= 0.127274297173464E+02)
|
|
Weight for this step=-0.65435E+00 -0.88383E+01
|
|
|
|
Lanczos iteration: 151 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000151)= 0.000000
|
|
beta (00000151)= 12.727430
|
|
gamma(00000151)= 12.727430
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127274297173464E+02 read= 0.134160533664889E+02)
|
|
Weight for this step= 0.45687E+00 0.68034E+01
|
|
|
|
Lanczos iteration: 152 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000152)= 0.000000
|
|
beta (00000152)= 13.416053
|
|
gamma(00000152)= 13.416053
|
|
z1= 1 0.250775967865679E-07 0.000000000000000E+00
|
|
z1= 2 -0.153505593443492E-06 0.000000000000000E+00
|
|
z1= 3 -0.133530669539982E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134160533664889E+02 read= 0.124758728779352E+02)
|
|
Weight for this step= 0.64255E+00 0.87167E+01
|
|
|
|
Lanczos iteration: 153 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000153)= 0.000000
|
|
beta (00000153)= 12.475873
|
|
gamma(00000153)= 12.475873
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124758728779352E+02 read= 0.134723360478380E+02)
|
|
Weight for this step=-0.45828E+00 -0.68587E+01
|
|
|
|
Lanczos iteration: 154 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000154)= 0.000000
|
|
beta (00000154)= 13.472336
|
|
gamma(00000154)= 13.472336
|
|
z1= 1 -0.234461844297179E-07 0.000000000000000E+00
|
|
z1= 2 0.148534102486277E-06 0.000000000000000E+00
|
|
z1= 3 0.123654253618008E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134723360478380E+02 read= 0.127645468256840E+02)
|
|
Weight for this step=-0.61678E+00 -0.84052E+01
|
|
|
|
Lanczos iteration: 155 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000155)= 0.000000
|
|
beta (00000155)= 12.764547
|
|
gamma(00000155)= 12.764547
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127645468256840E+02 read= 0.134168907377654E+02)
|
|
Weight for this step= 0.45272E+00 0.68079E+01
|
|
|
|
Lanczos iteration: 156 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000156)= 0.000000
|
|
beta (00000156)= 13.416891
|
|
gamma(00000156)= 13.416891
|
|
z1= 1 0.224802694775018E-07 0.000000000000000E+00
|
|
z1= 2 -0.147676737109151E-06 0.000000000000000E+00
|
|
z1= 3 -0.117642048470982E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134168907377654E+02 read= 0.128662419348951E+02)
|
|
Weight for this step= 0.60837E+00 0.83287E+01
|
|
|
|
Lanczos iteration: 157 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000157)= 0.000000
|
|
beta (00000157)= 12.866242
|
|
gamma(00000157)= 12.866242
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128662419348951E+02 read= 0.134701237341998E+02)
|
|
Weight for this step=-0.44179E+00 -0.66755E+01
|
|
|
|
Lanczos iteration: 158 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000158)= 0.000000
|
|
beta (00000158)= 13.470124
|
|
gamma(00000158)= 13.470124
|
|
z1= 1 -0.216217341020872E-07 0.000000000000000E+00
|
|
z1= 2 0.147343675965382E-06 0.000000000000000E+00
|
|
z1= 3 0.112368014371044E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134701237341998E+02 read= 0.126257897564429E+02)
|
|
Weight for this step=-0.60207E+00 -0.82798E+01
|
|
|
|
Lanczos iteration: 159 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000159)= 0.000000
|
|
beta (00000159)= 12.625790
|
|
gamma(00000159)= 12.625790
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126257897564429E+02 read= 0.132517049741013E+02)
|
|
Weight for this step= 0.44078E+00 0.66926E+01
|
|
|
|
Lanczos iteration: 160 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000160)= 0.000000
|
|
beta (00000160)= 13.251705
|
|
gamma(00000160)= 13.251705
|
|
z1= 1 0.207256563505365E-07 0.000000000000000E+00
|
|
z1= 2 -0.146894957688139E-06 0.000000000000000E+00
|
|
z1= 3 -0.107060557684501E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132517049741013E+02 read= 0.125585536923384E+02)
|
|
Weight for this step= 0.59490E+00 0.82193E+01
|
|
|
|
Lanczos iteration: 161 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000161)= 0.000000
|
|
beta (00000161)= 12.558554
|
|
gamma(00000161)= 12.558554
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125585536923384E+02 read= 0.134096692949719E+02)
|
|
Weight for this step=-0.43475E+00 -0.66335E+01
|
|
|
|
Lanczos iteration: 162 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000162)= 0.000000
|
|
beta (00000162)= 13.409669
|
|
gamma(00000162)= 13.409669
|
|
z1= 1 -0.194481656858514E-07 0.000000000000000E+00
|
|
z1= 2 0.144024037561347E-06 0.000000000000000E+00
|
|
z1= 3 0.100265393011342E-01 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134096692949719E+02 read= 0.126302773704769E+02)
|
|
Weight for this step=-0.57787E+00 -0.80215E+01
|
|
|
|
Lanczos iteration: 163 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000163)= 0.000000
|
|
beta (00000163)= 12.630277
|
|
gamma(00000163)= 12.630277
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126302773704769E+02 read= 0.131704922499840E+02)
|
|
Weight for this step= 0.43226E+00 0.66270E+01
|
|
|
|
Lanczos iteration: 164 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000164)= 0.000000
|
|
beta (00000164)= 13.170492
|
|
gamma(00000164)= 13.170492
|
|
z1= 1 0.186275429858772E-07 0.000000000000000E+00
|
|
z1= 2 -0.144759035631539E-06 0.000000000000000E+00
|
|
z1= 3 -0.961528013043446E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131704922499840E+02 read= 0.127235582365696E+02)
|
|
Weight for this step= 0.57515E+00 0.80219E+01
|
|
|
|
Lanczos iteration: 165 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000165)= 0.000000
|
|
beta (00000165)= 12.723558
|
|
gamma(00000165)= 12.723558
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127235582365696E+02 read= 0.134146104577501E+02)
|
|
Weight for this step=-0.41849E+00 -0.64471E+01
|
|
|
|
Lanczos iteration: 166 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000166)= 0.000000
|
|
beta (00000166)= 13.414610
|
|
gamma(00000166)= 13.414610
|
|
z1= 1 -0.176405280910672E-07 0.000000000000000E+00
|
|
z1= 2 0.143839009967162E-06 0.000000000000000E+00
|
|
z1= 3 0.911995000420101E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134146104577501E+02 read= 0.127361326277619E+02)
|
|
Weight for this step=-0.56546E+00 -0.79233E+01
|
|
|
|
Lanczos iteration: 167 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000167)= 0.000000
|
|
beta (00000167)= 12.736133
|
|
gamma(00000167)= 12.736133
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127361326277619E+02 read= 0.134784857308122E+02)
|
|
Weight for this step= 0.41234E+00 0.63832E+01
|
|
|
|
Lanczos iteration: 168 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000168)= 0.000000
|
|
beta (00000168)= 13.478486
|
|
gamma(00000168)= 13.478486
|
|
z1= 1 0.166517179107386E-07 0.000000000000000E+00
|
|
z1= 2 -0.142596262559902E-06 0.000000000000000E+00
|
|
z1= 3 -0.861765150268565E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134784857308122E+02 read= 0.126667864952738E+02)
|
|
Weight for this step= 0.55387E+00 0.77969E+01
|
|
|
|
Lanczos iteration: 169 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000169)= 0.000000
|
|
beta (00000169)= 12.666786
|
|
gamma(00000169)= 12.666786
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126667864952738E+02 read= 0.133512345721048E+02)
|
|
Weight for this step=-0.41076E+00 -0.63893E+01
|
|
|
|
Lanczos iteration: 170 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000170)= 0.000000
|
|
beta (00000170)= 13.351235
|
|
gamma(00000170)= 13.351235
|
|
z1= 1 -0.157034728506019E-07 0.000000000000000E+00
|
|
z1= 2 0.142209159224404E-06 0.000000000000000E+00
|
|
z1= 3 0.817586951121820E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133512345721048E+02 read= 0.127481597586274E+02)
|
|
Weight for this step=-0.54514E+00 -0.77105E+01
|
|
|
|
Lanczos iteration: 171 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000171)= 0.000000
|
|
beta (00000171)= 12.748160
|
|
gamma(00000171)= 12.748160
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127481597586274E+02 read= 0.133872138262424E+02)
|
|
Weight for this step= 0.40280E+00 0.62956E+01
|
|
|
|
Lanczos iteration: 172 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000172)= 0.000000
|
|
beta (00000172)= 13.387214
|
|
gamma(00000172)= 13.387214
|
|
z1= 1 0.147358325935910E-07 0.000000000000000E+00
|
|
z1= 2 -0.142418855949504E-06 0.000000000000000E+00
|
|
z1= 3 -0.778558496543823E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133872138262424E+02 read= 0.128260109496951E+02)
|
|
Weight for this step= 0.53834E+00 0.76503E+01
|
|
|
|
Lanczos iteration: 173 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000173)= 0.000000
|
|
beta (00000173)= 12.826011
|
|
gamma(00000173)= 12.826011
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128260109496951E+02 read= 0.134741205533995E+02)
|
|
Weight for this step=-0.39355E+00 -0.61806E+01
|
|
|
|
Lanczos iteration: 174 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000174)= 0.000000
|
|
beta (00000174)= 13.474121
|
|
gamma(00000174)= 13.474121
|
|
z1= 1 -0.137577622073533E-07 0.000000000000000E+00
|
|
z1= 2 0.142681821826605E-06 0.000000000000000E+00
|
|
z1= 3 0.741109578326414E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134741205533995E+02 read= 0.128040637969064E+02)
|
|
Weight for this step=-0.53111E+00 -0.75826E+01
|
|
|
|
Lanczos iteration: 175 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000175)= 0.000000
|
|
beta (00000175)= 12.804064
|
|
gamma(00000175)= 12.804064
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128040637969064E+02 read= 0.133599679707971E+02)
|
|
Weight for this step= 0.38758E+00 0.61163E+01
|
|
|
|
Lanczos iteration: 176 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000176)= 0.000000
|
|
beta (00000176)= 13.359968
|
|
gamma(00000176)= 13.359968
|
|
z1= 1 0.128298372986213E-07 0.000000000000000E+00
|
|
z1= 2 -0.144041310150820E-06 0.000000000000000E+00
|
|
z1= 3 -0.710272235841570E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133599679707971E+02 read= 0.127550120751785E+02)
|
|
Weight for this step= 0.52754E+00 0.75668E+01
|
|
|
|
Lanczos iteration: 177 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000177)= 0.000000
|
|
beta (00000177)= 12.755012
|
|
gamma(00000177)= 12.755012
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127550120751785E+02 read= 0.132886585868923E+02)
|
|
Weight for this step=-0.37948E+00 -0.60180E+01
|
|
|
|
Lanczos iteration: 178 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000178)= 0.000000
|
|
beta (00000178)= 13.288659
|
|
gamma(00000178)= 13.288659
|
|
z1= 1 -0.118263141360225E-07 0.000000000000000E+00
|
|
z1= 2 0.145516766568671E-06 0.000000000000000E+00
|
|
z1= 3 0.681749093453222E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132886585868923E+02 read= 0.126903500743991E+02)
|
|
Weight for this step=-0.52459E+00 -0.75594E+01
|
|
|
|
Lanczos iteration: 179 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000179)= 0.000000
|
|
beta (00000179)= 12.690350
|
|
gamma(00000179)= 12.690350
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126903500743991E+02 read= 0.134378142653016E+02)
|
|
Weight for this step= 0.37091E+00 0.59118E+01
|
|
|
|
Lanczos iteration: 180 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000180)= 0.000000
|
|
beta (00000180)= 13.437814
|
|
gamma(00000180)= 13.437814
|
|
z1= 1 0.105978074414021E-07 0.000000000000000E+00
|
|
z1= 2 -0.144607739744913E-06 0.000000000000000E+00
|
|
z1= 3 -0.643827521947923E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134378142653016E+02 read= 0.127577328724227E+02)
|
|
Weight for this step= 0.51304E+00 0.74270E+01
|
|
|
|
Lanczos iteration: 181 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000181)= 0.000000
|
|
beta (00000181)= 12.757733
|
|
gamma(00000181)= 12.757733
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127577328724227E+02 read= 0.134696478910972E+02)
|
|
Weight for this step=-0.36494E+00 -0.58458E+01
|
|
|
|
Lanczos iteration: 182 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000182)= 0.000000
|
|
beta (00000182)= 13.469648
|
|
gamma(00000182)= 13.469648
|
|
z1= 1 -0.941327147604759E-08 0.000000000000000E+00
|
|
z1= 2 0.144192947999365E-06 0.000000000000000E+00
|
|
z1= 3 0.609799128183181E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134696478910972E+02 read= 0.128150211994042E+02)
|
|
Weight for this step=-0.50323E+00 -0.73185E+01
|
|
|
|
Lanczos iteration: 183 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000183)= 0.000000
|
|
beta (00000183)= 12.815021
|
|
gamma(00000183)= 12.815021
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128150211994042E+02 read= 0.135745831709824E+02)
|
|
Weight for this step= 0.35845E+00 0.57705E+01
|
|
|
|
Lanczos iteration: 184 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000184)= 0.000000
|
|
beta (00000184)= 13.574583
|
|
gamma(00000184)= 13.574583
|
|
z1= 1 0.822829932477492E-08 0.000000000000000E+00
|
|
z1= 2 -0.143286392318798E-06 0.000000000000000E+00
|
|
z1= 3 -0.575677990006383E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135745831709824E+02 read= 0.127933598424965E+02)
|
|
Weight for this step= 0.49193E+00 0.71873E+01
|
|
|
|
Lanczos iteration: 185 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000185)= 0.000000
|
|
beta (00000185)= 12.793360
|
|
gamma(00000185)= 12.793360
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127933598424965E+02 read= 0.132925272517533E+02)
|
|
Weight for this step=-0.35573E+00 -0.57551E+01
|
|
|
|
Lanczos iteration: 186 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000186)= 0.000000
|
|
beta (00000186)= 13.292527
|
|
gamma(00000186)= 13.292527
|
|
z1= 1 -0.719200358008333E-08 0.000000000000000E+00
|
|
z1= 2 0.145169463208012E-06 0.000000000000000E+00
|
|
z1= 3 0.554059851830302E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132925272517533E+02 read= 0.127971115022480E+02)
|
|
Weight for this step=-0.49054E+00 -0.72009E+01
|
|
|
|
Lanczos iteration: 187 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000187)= 0.000000
|
|
beta (00000187)= 12.797112
|
|
gamma(00000187)= 12.797112
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127971115022480E+02 read= 0.134819380213936E+02)
|
|
Weight for this step= 0.34497E+00 0.56095E+01
|
|
|
|
Lanczos iteration: 188 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000188)= 0.000000
|
|
beta (00000188)= 13.481938
|
|
gamma(00000188)= 13.481938
|
|
z1= 1 0.615723859620715E-08 0.000000000000000E+00
|
|
z1= 2 -0.144628693090742E-06 0.000000000000000E+00
|
|
z1= 3 -0.525915909978237E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134819380213936E+02 read= 0.130675522645961E+02)
|
|
Weight for this step= 0.48196E+00 0.71075E+01
|
|
|
|
Lanczos iteration: 189 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000189)= 0.000000
|
|
beta (00000189)= 13.067552
|
|
gamma(00000189)= 13.067552
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130675522645961E+02 read= 0.136084674474578E+02)
|
|
Weight for this step=-0.33231E+00 -0.54314E+01
|
|
|
|
Lanczos iteration: 190 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000190)= 0.000000
|
|
beta (00000190)= 13.608467
|
|
gamma(00000190)= 13.608467
|
|
z1= 1 -0.524183001485937E-08 0.000000000000000E+00
|
|
z1= 2 0.145317133102798E-06 0.000000000000000E+00
|
|
z1= 3 0.505011579515298E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136084674474578E+02 read= 0.128043335413257E+02)
|
|
Weight for this step=-0.47839E+00 -0.70863E+01
|
|
|
|
Lanczos iteration: 191 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000191)= 0.000000
|
|
beta (00000191)= 12.804334
|
|
gamma(00000191)= 12.804334
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128043335413257E+02 read= 0.134596828430677E+02)
|
|
Weight for this step= 0.32928E+00 0.54101E+01
|
|
|
|
Lanczos iteration: 192 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000192)= 0.000000
|
|
beta (00000192)= 13.459683
|
|
gamma(00000192)= 13.459683
|
|
z1= 1 0.432137794634507E-08 0.000000000000000E+00
|
|
z1= 2 -0.144632460405517E-06 0.000000000000000E+00
|
|
z1= 3 -0.480422665358423E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134596828430677E+02 read= 0.126694012899645E+02)
|
|
Weight for this step= 0.47071E+00 0.70044E+01
|
|
|
|
Lanczos iteration: 193 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000193)= 0.000000
|
|
beta (00000193)= 12.669401
|
|
gamma(00000193)= 12.669401
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126694012899645E+02 read= 0.132062407217445E+02)
|
|
Weight for this step=-0.32605E+00 -0.53857E+01
|
|
|
|
Lanczos iteration: 194 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000194)= 0.000000
|
|
beta (00000194)= 13.206241
|
|
gamma(00000194)= 13.206241
|
|
z1= 1 -0.345418186439264E-08 0.000000000000000E+00
|
|
z1= 2 0.145266094296072E-06 0.000000000000000E+00
|
|
z1= 3 0.460893274964936E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132062407217445E+02 read= 0.127602278423855E+02)
|
|
Weight for this step=-0.46733E+00 -0.69866E+01
|
|
|
|
Lanczos iteration: 195 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000195)= 0.000000
|
|
beta (00000195)= 12.760228
|
|
gamma(00000195)= 12.760228
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127602278423855E+02 read= 0.131868776882279E+02)
|
|
Weight for this step= 0.31402E+00 0.52155E+01
|
|
|
|
Lanczos iteration: 196 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000196)= 0.000000
|
|
beta (00000196)= 13.186878
|
|
gamma(00000196)= 13.186878
|
|
z1= 1 0.266708544453213E-08 0.000000000000000E+00
|
|
z1= 2 -0.147057612721489E-06 0.000000000000000E+00
|
|
z1= 3 -0.445981477846416E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131868776882279E+02 read= 0.128654747657761E+02)
|
|
Weight for this step= 0.46740E+00 0.70195E+01
|
|
|
|
Lanczos iteration: 197 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000197)= 0.000000
|
|
beta (00000197)= 12.865475
|
|
gamma(00000197)= 12.865475
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128654747657761E+02 read= 0.134805335378637E+02)
|
|
Weight for this step=-0.29863E+00 -0.49886E+01
|
|
|
|
Lanczos iteration: 198 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000198)= 0.000000
|
|
beta (00000198)= 13.480534
|
|
gamma(00000198)= 13.480534
|
|
z1= 1 -0.193002202696253E-08 0.000000000000000E+00
|
|
z1= 2 0.146536275217506E-06 0.000000000000000E+00
|
|
z1= 3 0.425633260962599E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134805335378637E+02 read= 0.127319241710227E+02)
|
|
Weight for this step=-0.46020E+00 -0.69415E+01
|
|
|
|
Lanczos iteration: 199 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000199)= 0.000000
|
|
beta (00000199)= 12.731924
|
|
gamma(00000199)= 12.731924
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127319241710227E+02 read= 0.134325364853702E+02)
|
|
Weight for this step= 0.29307E+00 0.49250E+01
|
|
|
|
Lanczos iteration: 200 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000200)= 0.000000
|
|
beta (00000200)= 13.432536
|
|
gamma(00000200)= 13.432536
|
|
z1= 1 0.121357919655347E-08 0.000000000000000E+00
|
|
z1= 2 -0.145201519085496E-06 0.000000000000000E+00
|
|
z1= 3 -0.403433142291707E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134325364853702E+02 read= 0.125949624639956E+02)
|
|
Weight for this step= 0.45012E+00 0.68195E+01
|
|
|
|
Lanczos iteration: 201 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000201)= 0.000000
|
|
beta (00000201)= 12.594962
|
|
gamma(00000201)= 12.594962
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125949624639956E+02 read= 0.134582928859745E+02)
|
|
Weight for this step=-0.28971E+00 -0.48980E+01
|
|
|
|
Lanczos iteration: 202 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000202)= 0.000000
|
|
beta (00000202)= 13.458293
|
|
gamma(00000202)= 13.458293
|
|
z1= 1 -0.517924178533840E-09 0.000000000000000E+00
|
|
z1= 2 0.142283120282386E-06 0.000000000000000E+00
|
|
z1= 3 0.377553477766204E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134582928859745E+02 read= 0.127988393296166E+02)
|
|
Weight for this step=-0.43497E+00 -0.66203E+01
|
|
|
|
Lanczos iteration: 203 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000203)= 0.000000
|
|
beta (00000203)= 12.798839
|
|
gamma(00000203)= 12.798839
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127988393296166E+02 read= 0.135715617062871E+02)
|
|
Weight for this step= 0.28290E+00 0.48117E+01
|
|
|
|
Lanczos iteration: 204 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000204)= 0.000000
|
|
beta (00000204)= 13.571562
|
|
gamma(00000204)= 13.571562
|
|
z1= 1 -0.164308959369136E-09 0.000000000000000E+00
|
|
z1= 2 -0.140634415862436E-06 0.000000000000000E+00
|
|
z1= 3 -0.356056760809555E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135715617062871E+02 read= 0.128031484926203E+02)
|
|
Weight for this step= 0.42349E+00 0.64754E+01
|
|
|
|
Lanczos iteration: 205 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000205)= 0.000000
|
|
beta (00000205)= 12.803148
|
|
gamma(00000205)= 12.803148
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128031484926203E+02 read= 0.134701248888671E+02)
|
|
Weight for this step=-0.27874E+00 -0.47694E+01
|
|
|
|
Lanczos iteration: 206 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000206)= 0.000000
|
|
beta (00000206)= 13.470125
|
|
gamma(00000206)= 13.470125
|
|
z1= 1 0.839224363708368E-09 0.000000000000000E+00
|
|
z1= 2 0.140279725796869E-06 0.000000000000000E+00
|
|
z1= 3 0.338426526706801E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134701248888671E+02 read= 0.127384515307389E+02)
|
|
Weight for this step=-0.41572E+00 -0.63866E+01
|
|
|
|
Lanczos iteration: 207 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000207)= 0.000000
|
|
beta (00000207)= 12.738452
|
|
gamma(00000207)= 12.738452
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127384515307389E+02 read= 0.133202077770883E+02)
|
|
Weight for this step= 0.27388E+00 0.47152E+01
|
|
|
|
Lanczos iteration: 208 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000208)= 0.000000
|
|
beta (00000208)= 13.320208
|
|
gamma(00000208)= 13.320208
|
|
z1= 1 -0.151017758755613E-08 0.000000000000000E+00
|
|
z1= 2 -0.140996165920541E-06 0.000000000000000E+00
|
|
z1= 3 -0.323645845418880E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133202077770883E+02 read= 0.127498361938984E+02)
|
|
Weight for this step= 0.41066E+00 0.63394E+01
|
|
|
|
Lanczos iteration: 209 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000209)= 0.000000
|
|
beta (00000209)= 12.749836
|
|
gamma(00000209)= 12.749836
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127498361938984E+02 read= 0.134357075196987E+02)
|
|
Weight for this step=-0.26555E+00 -0.46006E+01
|
|
|
|
Lanczos iteration: 210 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000210)= 0.000000
|
|
beta (00000210)= 13.435708
|
|
gamma(00000210)= 13.435708
|
|
z1= 1 0.214689691683547E-08 0.000000000000000E+00
|
|
z1= 2 0.140706273651710E-06 0.000000000000000E+00
|
|
z1= 3 0.307124243950421E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134357075196987E+02 read= 0.127510615801596E+02)
|
|
Weight for this step=-0.40230E+00 -0.62400E+01
|
|
|
|
Lanczos iteration: 211 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000211)= 0.000000
|
|
beta (00000211)= 12.751062
|
|
gamma(00000211)= 12.751062
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127510615801596E+02 read= 0.135379739315646E+02)
|
|
Weight for this step= 0.25964E+00 0.45272E+01
|
|
|
|
Lanczos iteration: 212 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000212)= 0.000000
|
|
beta (00000212)= 13.537974
|
|
gamma(00000212)= 13.537974
|
|
z1= 1 -0.271660248803314E-08 0.000000000000000E+00
|
|
z1= 2 -0.139628601402857E-06 0.000000000000000E+00
|
|
z1= 3 -0.289272247617571E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135379739315646E+02 read= 0.126724335095328E+02)
|
|
Weight for this step= 0.39113E+00 0.60962E+01
|
|
|
|
Lanczos iteration: 213 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000213)= 0.000000
|
|
beta (00000213)= 12.672434
|
|
gamma(00000213)= 12.672434
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126724335095328E+02 read= 0.134393780465188E+02)
|
|
Weight for this step=-0.25766E+00 -0.45215E+01
|
|
|
|
Lanczos iteration: 214 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000214)= 0.000000
|
|
beta (00000214)= 13.439378
|
|
gamma(00000214)= 13.439378
|
|
z1= 1 0.329242277777135E-08 0.000000000000000E+00
|
|
z1= 2 0.139227296693748E-06 0.000000000000000E+00
|
|
z1= 3 0.272764357948566E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134393780465188E+02 read= 0.124793017364602E+02)
|
|
Weight for this step=-0.38103E+00 -0.59685E+01
|
|
|
|
Lanczos iteration: 215 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000215)= 0.000000
|
|
beta (00000215)= 12.479302
|
|
gamma(00000215)= 12.479302
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124793017364602E+02 read= 0.132194333522961E+02)
|
|
Weight for this step= 0.25797E+00 0.45563E+01
|
|
|
|
Lanczos iteration: 216 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000216)= 0.000000
|
|
beta (00000216)= 13.219433
|
|
gamma(00000216)= 13.219433
|
|
z1= 1 -0.390071854553193E-08 0.000000000000000E+00
|
|
z1= 2 -0.139442255873274E-06 0.000000000000000E+00
|
|
z1= 3 -0.257492786194253E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132194333522961E+02 read= 0.126442895685310E+02)
|
|
Weight for this step= 0.37212E+00 0.58600E+01
|
|
|
|
Lanczos iteration: 217 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000217)= 0.000000
|
|
beta (00000217)= 12.644290
|
|
gamma(00000217)= 12.644290
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126442895685310E+02 read= 0.136848608588038E+02)
|
|
Weight for this step=-0.25090E+00 -0.44601E+01
|
|
|
|
Lanczos iteration: 218 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000218)= 0.000000
|
|
beta (00000218)= 13.684861
|
|
gamma(00000218)= 13.684861
|
|
z1= 1 0.441742509380753E-08 0.000000000000000E+00
|
|
z1= 2 0.136595262835958E-06 0.000000000000000E+00
|
|
z1= 3 0.237913515090903E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136848608588038E+02 read= 0.125817535530302E+02)
|
|
Weight for this step=-0.35550E+00 -0.56278E+01
|
|
|
|
Lanczos iteration: 219 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000219)= 0.000000
|
|
beta (00000219)= 12.581754
|
|
gamma(00000219)= 12.581754
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125817535530302E+02 read= 0.135810873063335E+02)
|
|
Weight for this step= 0.25485E+00 0.45583E+01
|
|
|
|
Lanczos iteration: 220 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000220)= 0.000000
|
|
beta (00000220)= 13.581087
|
|
gamma(00000220)= 13.581087
|
|
z1= 1 -0.499210318314356E-08 0.000000000000000E+00
|
|
z1= 2 -0.134724974896517E-06 0.000000000000000E+00
|
|
z1= 3 -0.220407184365343E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135810873063335E+02 read= 0.125679491292014E+02)
|
|
Weight for this step= 0.34129E+00 0.54334E+01
|
|
|
|
Lanczos iteration: 221 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000221)= 0.000000
|
|
beta (00000221)= 12.567949
|
|
gamma(00000221)= 12.567949
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125679491292014E+02 read= 0.134924994977264E+02)
|
|
Weight for this step=-0.25805E+00 -0.46427E+01
|
|
|
|
Lanczos iteration: 222 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000222)= 0.000000
|
|
beta (00000222)= 13.492499
|
|
gamma(00000222)= 13.492499
|
|
z1= 1 0.561975786741932E-08 0.000000000000000E+00
|
|
z1= 2 0.134022012818511E-06 0.000000000000000E+00
|
|
z1= 3 0.205304160380431E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134924994977264E+02 read= 0.126096630080538E+02)
|
|
Weight for this step=-0.33008E+00 -0.52863E+01
|
|
|
|
Lanczos iteration: 223 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000223)= 0.000000
|
|
beta (00000223)= 12.609663
|
|
gamma(00000223)= 12.609663
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126096630080538E+02 read= 0.134279180961800E+02)
|
|
Weight for this step= 0.25940E+00 0.46933E+01
|
|
|
|
Lanczos iteration: 224 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000224)= 0.000000
|
|
beta (00000224)= 13.427918
|
|
gamma(00000224)= 13.427918
|
|
z1= 1 -0.628912041504082E-08 0.000000000000000E+00
|
|
z1= 2 -0.134636627601922E-06 0.000000000000000E+00
|
|
z1= 3 -0.192793570679070E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134279180961800E+02 read= 0.128963522710561E+02)
|
|
Weight for this step= 0.32226E+00 0.51930E+01
|
|
|
|
Lanczos iteration: 225 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000225)= 0.000000
|
|
beta (00000225)= 12.896352
|
|
gamma(00000225)= 12.896352
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128963522710561E+02 read= 0.133089827791807E+02)
|
|
Weight for this step=-0.25414E+00 -0.46232E+01
|
|
|
|
Lanczos iteration: 226 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000226)= 0.000000
|
|
beta (00000226)= 13.308983
|
|
gamma(00000226)= 13.308983
|
|
z1= 1 0.712462658178847E-08 0.000000000000000E+00
|
|
z1= 2 0.139312781821785E-06 0.000000000000000E+00
|
|
z1= 3 0.186816216109422E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133089827791807E+02 read= 0.129317185207050E+02)
|
|
Weight for this step=-0.32442E+00 -0.52594E+01
|
|
|
|
Lanczos iteration: 227 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000227)= 0.000000
|
|
beta (00000227)= 12.931719
|
|
gamma(00000227)= 12.931719
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129317185207050E+02 read= 0.133727096765548E+02)
|
|
Weight for this step= 0.24554E+00 0.44918E+01
|
|
|
|
Lanczos iteration: 228 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000228)= 0.000000
|
|
beta (00000228)= 13.372710
|
|
gamma(00000228)= 13.372710
|
|
z1= 1 -0.788522975568389E-08 0.000000000000000E+00
|
|
z1= 2 -0.143332326854541E-06 0.000000000000000E+00
|
|
z1= 3 -0.180655587406172E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133727096765548E+02 read= 0.127538493749246E+02)
|
|
Weight for this step= 0.32541E+00 0.53059E+01
|
|
|
|
Lanczos iteration: 229 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000229)= 0.000000
|
|
beta (00000229)= 12.753849
|
|
gamma(00000229)= 12.753849
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127538493749246E+02 read= 0.134836691005213E+02)
|
|
Weight for this step=-0.24117E+00 -0.44374E+01
|
|
|
|
Lanczos iteration: 230 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000230)= 0.000000
|
|
beta (00000230)= 13.483669
|
|
gamma(00000230)= 13.483669
|
|
z1= 1 0.842832634855516E-08 0.000000000000000E+00
|
|
z1= 2 0.144142053156744E-06 0.000000000000000E+00
|
|
z1= 3 0.170877387552305E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134836691005213E+02 read= 0.130327079169576E+02)
|
|
Weight for this step=-0.31917E+00 -0.52341E+01
|
|
|
|
Lanczos iteration: 231 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000231)= 0.000000
|
|
beta (00000231)= 13.032708
|
|
gamma(00000231)= 13.032708
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130327079169576E+02 read= 0.136131484303887E+02)
|
|
Weight for this step= 0.23388E+00 0.43280E+01
|
|
|
|
Lanczos iteration: 232 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000232)= 0.000000
|
|
beta (00000232)= 13.613148
|
|
gamma(00000232)= 13.613148
|
|
z1= 1 -0.899022747665303E-08 0.000000000000000E+00
|
|
z1= 2 -0.146381902247072E-06 0.000000000000000E+00
|
|
z1= 3 -0.163591478706763E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136131484303887E+02 read= 0.126973208518354E+02)
|
|
Weight for this step= 0.31649E+00 0.52191E+01
|
|
|
|
Lanczos iteration: 233 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000233)= 0.000000
|
|
beta (00000233)= 12.697321
|
|
gamma(00000233)= 12.697321
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126973208518354E+02 read= 0.133178357859727E+02)
|
|
Weight for this step=-0.23485E+00 -0.43711E+01
|
|
|
|
Lanczos iteration: 234 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000234)= 0.000000
|
|
beta (00000234)= 13.317836
|
|
gamma(00000234)= 13.317836
|
|
z1= 1 0.943982695144978E-08 0.000000000000000E+00
|
|
z1= 2 0.148252048535173E-06 0.000000000000000E+00
|
|
z1= 3 0.155969297650733E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133178357859727E+02 read= 0.126050050870395E+02)
|
|
Weight for this step=-0.31296E+00 -0.51908E+01
|
|
|
|
Lanczos iteration: 235 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000235)= 0.000000
|
|
beta (00000235)= 12.605005
|
|
gamma(00000235)= 12.605005
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126050050870395E+02 read= 0.135249854876842E+02)
|
|
Weight for this step= 0.23229E+00 0.43487E+01
|
|
|
|
Lanczos iteration: 236 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000236)= 0.000000
|
|
beta (00000236)= 13.524985
|
|
gamma(00000236)= 13.524985
|
|
z1= 1 -0.965152874255696E-08 0.000000000000000E+00
|
|
z1= 2 -0.146605447259732E-06 0.000000000000000E+00
|
|
z1= 3 -0.145360140467408E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135249854876842E+02 read= 0.128812767088998E+02)
|
|
Weight for this step= 0.30260E+00 0.50482E+01
|
|
|
|
Lanczos iteration: 237 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000237)= 0.000000
|
|
beta (00000237)= 12.881277
|
|
gamma(00000237)= 12.881277
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128812767088998E+02 read= 0.134905905211950E+02)
|
|
Weight for this step=-0.22891E+00 -0.43095E+01
|
|
|
|
Lanczos iteration: 238 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000238)= 0.000000
|
|
beta (00000238)= 13.490591
|
|
gamma(00000238)= 13.490591
|
|
z1= 1 0.100729700421129E-07 0.000000000000000E+00
|
|
z1= 2 0.148404535898296E-06 0.000000000000000E+00
|
|
z1= 3 0.138794828059119E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134905905211950E+02 read= 0.127129389813769E+02)
|
|
Weight for this step=-0.29972E+00 -0.50293E+01
|
|
|
|
Lanczos iteration: 239 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000239)= 0.000000
|
|
beta (00000239)= 12.712939
|
|
gamma(00000239)= 12.712939
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127129389813769E+02 read= 0.133993943817719E+02)
|
|
Weight for this step= 0.22787E+00 0.43141E+01
|
|
|
|
Lanczos iteration: 240 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000240)= 0.000000
|
|
beta (00000240)= 13.399394
|
|
gamma(00000240)= 13.399394
|
|
z1= 1 -0.104130434180124E-07 0.000000000000000E+00
|
|
z1= 2 -0.149424563788384E-06 0.000000000000000E+00
|
|
z1= 3 -0.131684323169605E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133993943817719E+02 read= 0.127356220545623E+02)
|
|
Weight for this step= 0.29517E+00 0.49824E+01
|
|
|
|
Lanczos iteration: 241 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000241)= 0.000000
|
|
beta (00000241)= 12.735622
|
|
gamma(00000241)= 12.735622
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127356220545623E+02 read= 0.134711657732566E+02)
|
|
Weight for this step=-0.22497E+00 -0.42828E+01
|
|
|
|
Lanczos iteration: 242 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000242)= 0.000000
|
|
beta (00000242)= 13.471166
|
|
gamma(00000242)= 13.471166
|
|
z1= 1 0.106607952088562E-07 0.000000000000000E+00
|
|
z1= 2 0.150031325558497E-06 0.000000000000000E+00
|
|
z1= 3 0.124494182510051E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134711657732566E+02 read= 0.129201013266542E+02)
|
|
Weight for this step=-0.28967E+00 -0.49185E+01
|
|
|
|
Lanczos iteration: 243 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000243)= 0.000000
|
|
beta (00000243)= 12.920101
|
|
gamma(00000243)= 12.920101
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129201013266542E+02 read= 0.133682133243219E+02)
|
|
Weight for this step= 0.22027E+00 0.42163E+01
|
|
|
|
Lanczos iteration: 244 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000244)= 0.000000
|
|
beta (00000244)= 13.368213
|
|
gamma(00000244)= 13.368213
|
|
z1= 1 -0.110448846945502E-07 0.000000000000000E+00
|
|
z1= 2 -0.153966146089425E-06 0.000000000000000E+00
|
|
z1= 3 -0.120321049162372E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133682133243219E+02 read= 0.124181883068225E+02)
|
|
Weight for this step= 0.29043E+00 0.49601E+01
|
|
|
|
Lanczos iteration: 245 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000245)= 0.000000
|
|
beta (00000245)= 12.418188
|
|
gamma(00000245)= 12.418188
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124181883068225E+02 read= 0.131260456555589E+02)
|
|
Weight for this step=-0.22221E+00 -0.42773E+01
|
|
|
|
Lanczos iteration: 246 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000246)= 0.000000
|
|
beta (00000246)= 13.126046
|
|
gamma(00000246)= 13.126046
|
|
z1= 1 0.112034604663131E-07 0.000000000000000E+00
|
|
z1= 2 0.155309414165785E-06 0.000000000000000E+00
|
|
z1= 3 0.113832412668775E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131260456555589E+02 read= 0.126296698424286E+02)
|
|
Weight for this step=-0.28552E+00 -0.49060E+01
|
|
|
|
Lanczos iteration: 247 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000247)= 0.000000
|
|
beta (00000247)= 12.629670
|
|
gamma(00000247)= 12.629670
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126296698424286E+02 read= 0.133740135208231E+02)
|
|
Weight for this step= 0.21653E+00 0.41911E+01
|
|
|
|
Lanczos iteration: 248 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000248)= 0.000000
|
|
beta (00000248)= 13.374014
|
|
gamma(00000248)= 13.374014
|
|
z1= 1 -0.112744282727330E-07 0.000000000000000E+00
|
|
z1= 2 -0.156370739436509E-06 0.000000000000000E+00
|
|
z1= 3 -0.107496959468097E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133740135208231E+02 read= 0.128349905193466E+02)
|
|
Weight for this step= 0.27992E+00 0.48381E+01
|
|
|
|
Lanczos iteration: 249 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000249)= 0.000000
|
|
beta (00000249)= 12.834991
|
|
gamma(00000249)= 12.834991
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128349905193466E+02 read= 0.133396548055663E+02)
|
|
Weight for this step=-0.21173E+00 -0.41204E+01
|
|
|
|
Lanczos iteration: 250 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000250)= 0.000000
|
|
beta (00000250)= 13.339655
|
|
gamma(00000250)= 13.339655
|
|
z1= 1 0.114370648709186E-07 0.000000000000000E+00
|
|
z1= 2 0.160497445902746E-06 0.000000000000000E+00
|
|
z1= 3 0.103430146862265E-02 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133396548055663E+02 read= 0.125114690461428E+02)
|
|
Weight for this step=-0.27941E+00 -0.48572E+01
|
|
|
|
Lanczos iteration: 251 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000251)= 0.000000
|
|
beta (00000251)= 12.511469
|
|
gamma(00000251)= 12.511469
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125114690461428E+02 read= 0.134706982197771E+02)
|
|
Weight for this step= 0.21151E+00 0.41390E+01
|
|
|
|
Lanczos iteration: 252 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000252)= 0.000000
|
|
beta (00000252)= 13.470698
|
|
gamma(00000252)= 13.470698
|
|
z1= 1 -0.111916839758857E-07 0.000000000000000E+00
|
|
z1= 2 -0.159576568312906E-06 0.000000000000000E+00
|
|
z1= 3 -0.960650338826050E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134706982197771E+02 read= 0.129299022933913E+02)
|
|
Weight for this step= 0.26948E+00 0.47125E+01
|
|
|
|
Lanczos iteration: 253 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000253)= 0.000000
|
|
beta (00000253)= 12.929902
|
|
gamma(00000253)= 12.929902
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129299022933913E+02 read= 0.134317762183586E+02)
|
|
Weight for this step=-0.20708E+00 -0.40735E+01
|
|
|
|
Lanczos iteration: 254 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000254)= 0.000000
|
|
beta (00000254)= 13.431776
|
|
gamma(00000254)= 13.431776
|
|
z1= 1 0.113675960727053E-07 0.000000000000000E+00
|
|
z1= 2 0.164366644512962E-06 0.000000000000000E+00
|
|
z1= 3 0.924755953137250E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134317762183586E+02 read= 0.129226030533516E+02)
|
|
Weight for this step=-0.26920E+00 -0.47350E+01
|
|
|
|
Lanczos iteration: 255 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000255)= 0.000000
|
|
beta (00000255)= 12.922603
|
|
gamma(00000255)= 12.922603
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129226030533516E+02 read= 0.136262841043044E+02)
|
|
Weight for this step= 0.20197E+00 0.39941E+01
|
|
|
|
Lanczos iteration: 256 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000256)= 0.000000
|
|
beta (00000256)= 13.626284
|
|
gamma(00000256)= 13.626284
|
|
z1= 1 -0.114279299955945E-07 0.000000000000000E+00
|
|
z1= 2 -0.166699174389186E-06 0.000000000000000E+00
|
|
z1= 3 -0.877000216063429E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136262841043044E+02 read= 0.127118321572806E+02)
|
|
Weight for this step= 0.26471E+00 0.46823E+01
|
|
|
|
Lanczos iteration: 257 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000257)= 0.000000
|
|
beta (00000257)= 12.711832
|
|
gamma(00000257)= 12.711832
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127118321572806E+02 read= 0.135893031559137E+02)
|
|
Weight for this step=-0.20324E+00 -0.40403E+01
|
|
|
|
Lanczos iteration: 258 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000258)= 0.000000
|
|
beta (00000258)= 13.589303
|
|
gamma(00000258)= 13.589303
|
|
z1= 1 0.113287512124071E-07 0.000000000000000E+00
|
|
z1= 2 0.167286999009655E-06 0.000000000000000E+00
|
|
z1= 3 0.820371686508901E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135893031559137E+02 read= 0.129840215253393E+02)
|
|
Weight for this step=-0.25711E+00 -0.45746E+01
|
|
|
|
Lanczos iteration: 259 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000259)= 0.000000
|
|
beta (00000259)= 12.984022
|
|
gamma(00000259)= 12.984022
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129840215253393E+02 read= 0.134565205745588E+02)
|
|
Weight for this step= 0.20010E+00 0.39980E+01
|
|
|
|
Lanczos iteration: 260 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000260)= 0.000000
|
|
beta (00000260)= 13.456521
|
|
gamma(00000260)= 13.456521
|
|
z1= 1 -0.115571821045560E-07 0.000000000000000E+00
|
|
z1= 2 -0.173028432318389E-06 0.000000000000000E+00
|
|
z1= 3 -0.791565960709680E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134565205745588E+02 read= 0.127321152634236E+02)
|
|
Weight for this step= 0.25752E+00 0.46085E+01
|
|
|
|
Lanczos iteration: 261 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000261)= 0.000000
|
|
beta (00000261)= 12.732115
|
|
gamma(00000261)= 12.732115
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127321152634236E+02 read= 0.132943335487817E+02)
|
|
Weight for this step=-0.19861E+00 -0.39885E+01
|
|
|
|
Lanczos iteration: 262 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000262)= 0.000000
|
|
beta (00000262)= 13.294334
|
|
gamma(00000262)= 13.294334
|
|
z1= 1 0.117431913723861E-07 0.000000000000000E+00
|
|
z1= 2 0.177659055666102E-06 0.000000000000000E+00
|
|
z1= 3 0.758090581478043E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132943335487817E+02 read= 0.126258005855472E+02)
|
|
Weight for this step=-0.25611E+00 -0.46100E+01
|
|
|
|
Lanczos iteration: 263 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000263)= 0.000000
|
|
beta (00000263)= 12.625801
|
|
gamma(00000263)= 12.625801
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126258005855472E+02 read= 0.132968875793525E+02)
|
|
Weight for this step= 0.19621E+00 0.39607E+01
|
|
|
|
Lanczos iteration: 264 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000264)= 0.000000
|
|
beta (00000264)= 13.296888
|
|
gamma(00000264)= 13.296888
|
|
z1= 1 -0.118023353740939E-07 0.000000000000000E+00
|
|
z1= 2 -0.180745250039159E-06 0.000000000000000E+00
|
|
z1= 3 -0.719830144490828E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132968875793525E+02 read= 0.127924356542259E+02)
|
|
Weight for this step= 0.25254E+00 0.45723E+01
|
|
|
|
Lanczos iteration: 265 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000265)= 0.000000
|
|
beta (00000265)= 12.792436
|
|
gamma(00000265)= 12.792436
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127924356542259E+02 read= 0.134478974519381E+02)
|
|
Weight for this step=-0.19138E+00 -0.38828E+01
|
|
|
|
Lanczos iteration: 266 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000266)= 0.000000
|
|
beta (00000266)= 13.447897
|
|
gamma(00000266)= 13.447897
|
|
z1= 1 0.118653767320893E-07 0.000000000000000E+00
|
|
z1= 2 0.183927578257118E-06 0.000000000000000E+00
|
|
z1= 3 0.684745019679241E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134478974519381E+02 read= 0.127800429273288E+02)
|
|
Weight for this step=-0.24926E+00 -0.45385E+01
|
|
|
|
Lanczos iteration: 267 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000267)= 0.000000
|
|
beta (00000267)= 12.780043
|
|
gamma(00000267)= 12.780043
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127800429273288E+02 read= 0.132773769460574E+02)
|
|
Weight for this step= 0.18897E+00 0.38533E+01
|
|
|
|
Lanczos iteration: 268 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000268)= 0.000000
|
|
beta (00000268)= 13.277377
|
|
gamma(00000268)= 13.277377
|
|
z1= 1 -0.121249485662091E-07 0.000000000000000E+00
|
|
z1= 2 -0.189528062499165E-06 0.000000000000000E+00
|
|
z1= 3 -0.659096354749053E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132773769460574E+02 read= 0.127067711473312E+02)
|
|
Weight for this step= 0.24895E+00 0.45585E+01
|
|
|
|
Lanczos iteration: 269 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000269)= 0.000000
|
|
beta (00000269)= 12.706771
|
|
gamma(00000269)= 12.706771
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127067711473312E+02 read= 0.136891927265876E+02)
|
|
Weight for this step=-0.18499E+00 -0.37914E+01
|
|
|
|
Lanczos iteration: 270 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000270)= 0.000000
|
|
beta (00000270)= 13.689193
|
|
gamma(00000270)= 13.689193
|
|
z1= 1 0.119361326117467E-07 0.000000000000000E+00
|
|
z1= 2 0.188424200034100E-06 0.000000000000000E+00
|
|
z1= 3 0.611795502562473E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136891927265876E+02 read= 0.128502548981661E+02)
|
|
Weight for this step=-0.23966E+00 -0.44127E+01
|
|
|
|
Lanczos iteration: 271 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000271)= 0.000000
|
|
beta (00000271)= 12.850255
|
|
gamma(00000271)= 12.850255
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128502548981661E+02 read= 0.132635802028318E+02)
|
|
Weight for this step= 0.18520E+00 0.38142E+01
|
|
|
|
Lanczos iteration: 272 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000272)= 0.000000
|
|
beta (00000272)= 13.263580
|
|
gamma(00000272)= 13.263580
|
|
z1= 1 -0.122140315606759E-07 0.000000000000000E+00
|
|
z1= 2 -0.196026472333666E-06 0.000000000000000E+00
|
|
z1= 3 -0.592730471958191E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132635802028318E+02 read= 0.128484492253443E+02)
|
|
Weight for this step= 0.24104E+00 0.44634E+01
|
|
|
|
Lanczos iteration: 273 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000273)= 0.000000
|
|
beta (00000273)= 12.848449
|
|
gamma(00000273)= 12.848449
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128484492253443E+02 read= 0.134540849335301E+02)
|
|
Weight for this step=-0.17926E+00 -0.37100E+01
|
|
|
|
Lanczos iteration: 274 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000274)= 0.000000
|
|
beta (00000274)= 13.454085
|
|
gamma(00000274)= 13.454085
|
|
z1= 1 0.123260157872552E-07 0.000000000000000E+00
|
|
z1= 2 0.200500981514497E-06 0.000000000000000E+00
|
|
z1= 3 0.566048706463176E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134540849335301E+02 read= 0.130272674812652E+02)
|
|
Weight for this step=-0.23864E+00 -0.44430E+01
|
|
|
|
Lanczos iteration: 275 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000275)= 0.000000
|
|
beta (00000275)= 13.027267
|
|
gamma(00000275)= 13.027267
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130272674812652E+02 read= 0.136199405746177E+02)
|
|
Weight for this step= 0.17348E+00 0.36083E+01
|
|
|
|
Lanczos iteration: 276 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000276)= 0.000000
|
|
beta (00000276)= 13.619941
|
|
gamma(00000276)= 13.619941
|
|
z1= 1 -0.124660264089497E-07 0.000000000000000E+00
|
|
z1= 2 -0.204847822677000E-06 0.000000000000000E+00
|
|
z1= 3 -0.541417039679522E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136199405746177E+02 read= 0.125752618152228E+02)
|
|
Weight for this step= 0.23632E+00 0.44231E+01
|
|
|
|
Lanczos iteration: 277 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000277)= 0.000000
|
|
beta (00000277)= 12.575262
|
|
gamma(00000277)= 12.575262
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125752618152228E+02 read= 0.131840846497066E+02)
|
|
Weight for this step=-0.17594E+00 -0.36778E+01
|
|
|
|
Lanczos iteration: 278 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000278)= 0.000000
|
|
beta (00000278)= 13.184085
|
|
gamma(00000278)= 13.184085
|
|
z1= 1 0.125870543748379E-07 0.000000000000000E+00
|
|
z1= 2 0.209352183719780E-06 0.000000000000000E+00
|
|
z1= 3 0.516415147967455E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131840846497066E+02 read= 0.125787311443627E+02)
|
|
Weight for this step=-0.23387E+00 -0.44015E+01
|
|
|
|
Lanczos iteration: 279 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000279)= 0.000000
|
|
beta (00000279)= 12.578731
|
|
gamma(00000279)= 12.578731
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125787311443627E+02 read= 0.135131571538335E+02)
|
|
Weight for this step= 0.17259E+00 0.36257E+01
|
|
|
|
Lanczos iteration: 280 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000280)= 0.000000
|
|
beta (00000280)= 13.513157
|
|
gamma(00000280)= 13.513157
|
|
z1= 1 -0.124536765997116E-07 0.000000000000000E+00
|
|
z1= 2 -0.208519401705967E-06 0.000000000000000E+00
|
|
z1= 3 -0.480705377078856E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135131571538335E+02 read= 0.127676003022072E+02)
|
|
Weight for this step= 0.22579E+00 0.42728E+01
|
|
|
|
Lanczos iteration: 281 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000281)= 0.000000
|
|
beta (00000281)= 12.767600
|
|
gamma(00000281)= 12.767600
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127676003022072E+02 read= 0.132406541341655E+02)
|
|
Weight for this step=-0.17142E+00 -0.36183E+01
|
|
|
|
Lanczos iteration: 282 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000282)= 0.000000
|
|
beta (00000282)= 13.240654
|
|
gamma(00000282)= 13.240654
|
|
z1= 1 0.127723708989676E-07 0.000000000000000E+00
|
|
z1= 2 0.215113454734130E-06 0.000000000000000E+00
|
|
z1= 3 0.463531035209828E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132406541341655E+02 read= 0.125823334223567E+02)
|
|
Weight for this step=-0.22592E+00 -0.42990E+01
|
|
|
|
Lanczos iteration: 283 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000283)= 0.000000
|
|
beta (00000283)= 12.582333
|
|
gamma(00000283)= 12.582333
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125823334223567E+02 read= 0.132299296921243E+02)
|
|
Weight for this step= 0.16898E+00 0.35840E+01
|
|
|
|
Lanczos iteration: 284 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000284)= 0.000000
|
|
beta (00000284)= 13.229930
|
|
gamma(00000284)= 13.229930
|
|
z1= 1 -0.129294127764487E-07 0.000000000000000E+00
|
|
z1= 2 -0.218605584862927E-06 0.000000000000000E+00
|
|
z1= 3 -0.440841498960735E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132299296921243E+02 read= 0.127298155449191E+02)
|
|
Weight for this step= 0.22295E+00 0.42659E+01
|
|
|
|
Lanczos iteration: 285 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000285)= 0.000000
|
|
beta (00000285)= 12.729816
|
|
gamma(00000285)= 12.729816
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127298155449191E+02 read= 0.133770442020532E+02)
|
|
Weight for this step=-0.16449E+00 -0.35054E+01
|
|
|
|
Lanczos iteration: 286 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000286)= 0.000000
|
|
beta (00000286)= 13.377044
|
|
gamma(00000286)= 13.377044
|
|
z1= 1 0.131095194412468E-07 0.000000000000000E+00
|
|
z1= 2 0.221753671644309E-06 0.000000000000000E+00
|
|
z1= 3 0.419512029829032E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133770442020532E+02 read= 0.124800867273472E+02)
|
|
Weight for this step=-0.21995E+00 -0.42311E+01
|
|
|
|
Lanczos iteration: 287 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000287)= 0.000000
|
|
beta (00000287)= 12.480087
|
|
gamma(00000287)= 12.480087
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124800867273472E+02 read= 0.132319594465146E+02)
|
|
Weight for this step= 0.16511E+00 0.35354E+01
|
|
|
|
Lanczos iteration: 288 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000288)= 0.000000
|
|
beta (00000288)= 13.231959
|
|
gamma(00000288)= 13.231959
|
|
z1= 1 -0.131600991831797E-07 0.000000000000000E+00
|
|
z1= 2 -0.223173856656001E-06 0.000000000000000E+00
|
|
z1= 3 -0.395674316913914E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132319594465146E+02 read= 0.128276264684942E+02)
|
|
Weight for this step= 0.21536E+00 0.41655E+01
|
|
|
|
Lanczos iteration: 289 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000289)= 0.000000
|
|
beta (00000289)= 12.827626
|
|
gamma(00000289)= 12.827626
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128276264684942E+02 read= 0.134054593937655E+02)
|
|
Weight for this step=-0.15965E+00 -0.34342E+01
|
|
|
|
Lanczos iteration: 290 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000290)= 0.000000
|
|
beta (00000290)= 13.405459
|
|
gamma(00000290)= 13.405459
|
|
z1= 1 0.134081458228450E-07 0.000000000000000E+00
|
|
z1= 2 0.226928757461218E-06 0.000000000000000E+00
|
|
z1= 3 0.378619052988916E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134054593937655E+02 read= 0.126828543197915E+02)
|
|
Weight for this step=-0.21361E+00 -0.41537E+01
|
|
|
|
Lanczos iteration: 291 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000291)= 0.000000
|
|
beta (00000291)= 12.682854
|
|
gamma(00000291)= 12.682854
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126828543197915E+02 read= 0.131662865531334E+02)
|
|
Weight for this step= 0.15805E+00 0.34155E+01
|
|
|
|
Lanczos iteration: 292 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000292)= 0.000000
|
|
beta (00000292)= 13.166287
|
|
gamma(00000292)= 13.166287
|
|
z1= 1 -0.137397904782137E-07 0.000000000000000E+00
|
|
z1= 2 -0.232010538935034E-06 0.000000000000000E+00
|
|
z1= 3 -0.364717133595524E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131662865531334E+02 read= 0.127932702254504E+02)
|
|
Weight for this step= 0.21337E+00 0.41710E+01
|
|
|
|
Lanczos iteration: 293 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000293)= 0.000000
|
|
beta (00000293)= 12.793270
|
|
gamma(00000293)= 12.793270
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127932702254504E+02 read= 0.135779457820229E+02)
|
|
Weight for this step=-0.15207E+00 -0.33016E+01
|
|
|
|
Lanczos iteration: 294 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000294)= 0.000000
|
|
beta (00000294)= 13.577946
|
|
gamma(00000294)= 13.577946
|
|
z1= 1 0.136812439987275E-07 0.000000000000000E+00
|
|
z1= 2 0.231190024848889E-06 0.000000000000000E+00
|
|
z1= 3 0.343639967403418E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135779457820229E+02 read= 0.129772303824432E+02)
|
|
Weight for this step=-0.20813E+00 -0.40892E+01
|
|
|
|
Lanczos iteration: 295 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000295)= 0.000000
|
|
beta (00000295)= 12.977230
|
|
gamma(00000295)= 12.977230
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129772303824432E+02 read= 0.134931418236884E+02)
|
|
Weight for this step= 0.14892E+00 0.32482E+01
|
|
|
|
Lanczos iteration: 296 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000296)= 0.000000
|
|
beta (00000296)= 13.493142
|
|
gamma(00000296)= 13.493142
|
|
z1= 1 -0.138456705202795E-07 0.000000000000000E+00
|
|
z1= 2 -0.234831725540516E-06 0.000000000000000E+00
|
|
z1= 3 -0.330500863615055E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134931418236884E+02 read= 0.127195507270895E+02)
|
|
Weight for this step= 0.20715E+00 0.40904E+01
|
|
|
|
Lanczos iteration: 297 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000297)= 0.000000
|
|
beta (00000297)= 12.719551
|
|
gamma(00000297)= 12.719551
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127195507270895E+02 read= 0.134612907479090E+02)
|
|
Weight for this step=-0.14764E+00 -0.32352E+01
|
|
|
|
Lanczos iteration: 298 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000298)= 0.000000
|
|
beta (00000298)= 13.461291
|
|
gamma(00000298)= 13.461291
|
|
z1= 1 0.136945347961181E-07 0.000000000000000E+00
|
|
z1= 2 0.234307817028971E-06 0.000000000000000E+00
|
|
z1= 3 0.312289703775365E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134612907479090E+02 read= 0.131129459861848E+02)
|
|
Weight for this step=-0.20268E+00 -0.40223E+01
|
|
|
|
Lanczos iteration: 299 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000299)= 0.000000
|
|
beta (00000299)= 13.112946
|
|
gamma(00000299)= 13.112946
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.131129459861848E+02 read= 0.135262032857052E+02)
|
|
Weight for this step= 0.14175E+00 0.31203E+01
|
|
|
|
Lanczos iteration: 300 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000300)= 0.000000
|
|
beta (00000300)= 13.526203
|
|
gamma(00000300)= 13.526203
|
|
z1= 1 -0.137772227275441E-07 0.000000000000000E+00
|
|
z1= 2 -0.238994416396212E-06 0.000000000000000E+00
|
|
z1= 3 -0.302748519385044E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135262032857052E+02 read= 0.126145713339612E+02)
|
|
Weight for this step= 0.20311E+00 0.40505E+01
|
|
|
|
Lanczos iteration: 301 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000301)= 0.000000
|
|
beta (00000301)= 12.614571
|
|
gamma(00000301)= 12.614571
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126145713339612E+02 read= 0.132695098016520E+02)
|
|
Weight for this step=-0.14178E+00 -0.31356E+01
|
|
|
|
Lanczos iteration: 302 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000302)= 0.000000
|
|
beta (00000302)= 13.269510
|
|
gamma(00000302)= 13.269510
|
|
z1= 1 0.135292979861520E-07 0.000000000000000E+00
|
|
z1= 2 0.239415239255709E-06 0.000000000000000E+00
|
|
z1= 3 0.287805868575386E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132695098016520E+02 read= 0.129169806431335E+02)
|
|
Weight for this step=-0.19985E+00 -0.40052E+01
|
|
|
|
Lanczos iteration: 303 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000303)= 0.000000
|
|
beta (00000303)= 12.916981
|
|
gamma(00000303)= 12.916981
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129169806431335E+02 read= 0.135072602774301E+02)
|
|
Weight for this step= 0.13583E+00 0.30182E+01
|
|
|
|
Lanczos iteration: 304 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000304)= 0.000000
|
|
beta (00000304)= 13.507260
|
|
gamma(00000304)= 13.507260
|
|
z1= 1 -0.132305999992751E-07 0.000000000000000E+00
|
|
z1= 2 -0.240784140639232E-06 0.000000000000000E+00
|
|
z1= 3 -0.275228488754361E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135072602774301E+02 read= 0.128318070342984E+02)
|
|
Weight for this step= 0.19747E+00 0.39765E+01
|
|
|
|
Lanczos iteration: 305 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000305)= 0.000000
|
|
beta (00000305)= 12.831807
|
|
gamma(00000305)= 12.831807
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128318070342984E+02 read= 0.134115392425231E+02)
|
|
Weight for this step=-0.13322E+00 -0.29742E+01
|
|
|
|
Lanczos iteration: 306 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000306)= 0.000000
|
|
beta (00000306)= 13.411539
|
|
gamma(00000306)= 13.411539
|
|
z1= 1 0.128231657929475E-07 0.000000000000000E+00
|
|
z1= 2 0.242433714388421E-06 0.000000000000000E+00
|
|
z1= 3 0.263331359225348E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134115392425231E+02 read= 0.128873147211807E+02)
|
|
Weight for this step=-0.19522E+00 -0.39498E+01
|
|
|
|
Lanczos iteration: 307 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000307)= 0.000000
|
|
beta (00000307)= 12.887315
|
|
gamma(00000307)= 12.887315
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128873147211807E+02 read= 0.135265239720460E+02)
|
|
Weight for this step= 0.12903E+00 0.28946E+01
|
|
|
|
Lanczos iteration: 308 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000308)= 0.000000
|
|
beta (00000308)= 13.526524
|
|
gamma(00000308)= 13.526524
|
|
z1= 1 -0.122802492556317E-07 0.000000000000000E+00
|
|
z1= 2 -0.242990254884618E-06 0.000000000000000E+00
|
|
z1= 3 -0.250887375744670E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135265239720460E+02 read= 0.127039362951973E+02)
|
|
Weight for this step= 0.19202E+00 0.39032E+01
|
|
|
|
Lanczos iteration: 309 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000309)= 0.000000
|
|
beta (00000309)= 12.703936
|
|
gamma(00000309)= 12.703936
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127039362951973E+02 read= 0.133224844619043E+02)
|
|
Weight for this step=-0.12779E+00 -0.28809E+01
|
|
|
|
Lanczos iteration: 310 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000310)= 0.000000
|
|
beta (00000310)= 13.322484
|
|
gamma(00000310)= 13.322484
|
|
z1= 1 0.116660187378788E-07 0.000000000000000E+00
|
|
z1= 2 0.244281093792224E-06 0.000000000000000E+00
|
|
z1= 3 0.239238953353231E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133224844619043E+02 read= 0.127643467735617E+02)
|
|
Weight for this step=-0.18917E+00 -0.38636E+01
|
|
|
|
Lanczos iteration: 311 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000311)= 0.000000
|
|
beta (00000311)= 12.764347
|
|
gamma(00000311)= 12.764347
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127643467735617E+02 read= 0.134820286043281E+02)
|
|
Weight for this step= 0.12398E+00 0.28087E+01
|
|
|
|
Lanczos iteration: 312 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000312)= 0.000000
|
|
beta (00000312)= 13.482029
|
|
gamma(00000312)= 13.482029
|
|
z1= 1 -0.109356629999480E-07 0.000000000000000E+00
|
|
z1= 2 -0.243811998958636E-06 0.000000000000000E+00
|
|
z1= 3 -0.226503670327838E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134820286043281E+02 read= 0.127733848936569E+02)
|
|
Weight for this step= 0.18491E+00 0.37943E+01
|
|
|
|
Lanczos iteration: 313 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000313)= 0.000000
|
|
beta (00000313)= 12.773385
|
|
gamma(00000313)= 12.773385
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127733848936569E+02 read= 0.130558920821952E+02)
|
|
Weight for this step=-0.12168E+00 -0.27700E+01
|
|
|
|
Lanczos iteration: 314 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000314)= 0.000000
|
|
beta (00000314)= 13.055892
|
|
gamma(00000314)= 13.055892
|
|
z1= 1 0.105649026434294E-07 0.000000000000000E+00
|
|
z1= 2 0.251759212613453E-06 0.000000000000000E+00
|
|
z1= 3 0.221602518059198E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130558920821952E+02 read= 0.126846159292402E+02)
|
|
Weight for this step=-0.18680E+00 -0.38511E+01
|
|
|
|
Lanczos iteration: 315 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000315)= 0.000000
|
|
beta (00000315)= 12.684616
|
|
gamma(00000315)= 12.684616
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126846159292402E+02 read= 0.133385039908249E+02)
|
|
Weight for this step= 0.11591E+00 0.26524E+01
|
|
|
|
Lanczos iteration: 316 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000316)= 0.000000
|
|
beta (00000316)= 13.338504
|
|
gamma(00000316)= 13.338504
|
|
z1= 1 -0.988320490973981E-08 0.000000000000000E+00
|
|
z1= 2 -0.252514803758389E-06 0.000000000000000E+00
|
|
z1= 3 -0.210738987855614E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133385039908249E+02 read= 0.126406460062276E+02)
|
|
Weight for this step= 0.18313E+00 0.37924E+01
|
|
|
|
Lanczos iteration: 317 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000317)= 0.000000
|
|
beta (00000317)= 12.640646
|
|
gamma(00000317)= 12.640646
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126406460062276E+02 read= 0.134157696046752E+02)
|
|
Weight for this step=-0.11312E+00 -0.26024E+01
|
|
|
|
Lanczos iteration: 318 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000318)= 0.000000
|
|
beta (00000318)= 13.415770
|
|
gamma(00000318)= 13.415770
|
|
z1= 1 0.910239039510533E-08 0.000000000000000E+00
|
|
z1= 2 0.251402865666982E-06 0.000000000000000E+00
|
|
z1= 3 0.198563110704155E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134157696046752E+02 read= 0.124743774813200E+02)
|
|
Weight for this step=-0.17788E+00 -0.37003E+01
|
|
|
|
Lanczos iteration: 319 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000319)= 0.000000
|
|
beta (00000319)= 12.474377
|
|
gamma(00000319)= 12.474377
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124743774813200E+02 read= 0.134649219420965E+02)
|
|
Weight for this step= 0.11262E+00 0.26046E+01
|
|
|
|
Lanczos iteration: 320 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000320)= 0.000000
|
|
beta (00000320)= 13.464922
|
|
gamma(00000320)= 13.464922
|
|
z1= 1 -0.811090233044103E-08 0.000000000000000E+00
|
|
z1= 2 -0.247210345971909E-06 0.000000000000000E+00
|
|
z1= 3 -0.183955852654849E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134649219420965E+02 read= 0.128752658972568E+02)
|
|
Weight for this step= 0.17007E+00 0.35547E+01
|
|
|
|
Lanczos iteration: 321 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000321)= 0.000000
|
|
beta (00000321)= 12.875266
|
|
gamma(00000321)= 12.875266
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128752658972568E+02 read= 0.135078480685052E+02)
|
|
Weight for this step=-0.10941E+00 -0.25431E+01
|
|
|
|
Lanczos iteration: 322 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000322)= 0.000000
|
|
beta (00000322)= 13.507848
|
|
gamma(00000322)= 13.507848
|
|
z1= 1 0.732589066227687E-08 0.000000000000000E+00
|
|
z1= 2 0.250173518535944E-06 0.000000000000000E+00
|
|
z1= 3 0.175341068708874E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135078480685052E+02 read= 0.126468201029457E+02)
|
|
Weight for this step=-0.16722E+00 -0.35115E+01
|
|
|
|
Lanczos iteration: 323 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000323)= 0.000000
|
|
beta (00000323)= 12.646820
|
|
gamma(00000323)= 12.646820
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126468201029457E+02 read= 0.133145134109557E+02)
|
|
Weight for this step= 0.10848E+00 0.25345E+01
|
|
|
|
Lanczos iteration: 324 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000324)= 0.000000
|
|
beta (00000324)= 13.314513
|
|
gamma(00000324)= 13.314513
|
|
z1= 1 -0.652030661863097E-08 0.000000000000000E+00
|
|
z1= 2 -0.252921053202630E-06 0.000000000000000E+00
|
|
z1= 3 -0.166548103124506E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133145134109557E+02 read= 0.129826283874653E+02)
|
|
Weight for this step= 0.16398E+00 0.34600E+01
|
|
|
|
Lanczos iteration: 325 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000325)= 0.000000
|
|
beta (00000325)= 12.982628
|
|
gamma(00000325)= 12.982628
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129826283874653E+02 read= 0.135457314908938E+02)
|
|
Weight for this step=-0.10325E+00 -0.24248E+01
|
|
|
|
Lanczos iteration: 326 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000326)= 0.000000
|
|
beta (00000326)= 13.545731
|
|
gamma(00000326)= 13.545731
|
|
z1= 1 0.581750468946955E-08 0.000000000000000E+00
|
|
z1= 2 0.257486826906784E-06 0.000000000000000E+00
|
|
z1= 3 0.159624611853319E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135457314908938E+02 read= 0.125540264264297E+02)
|
|
Weight for this step=-0.16197E+00 -0.34334E+01
|
|
|
|
Lanczos iteration: 327 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000327)= 0.000000
|
|
beta (00000327)= 12.554026
|
|
gamma(00000327)= 12.554026
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125540264264297E+02 read= 0.133774791264038E+02)
|
|
Weight for this step= 0.10324E+00 0.24373E+01
|
|
|
|
Lanczos iteration: 328 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000328)= 0.000000
|
|
beta (00000328)= 13.377479
|
|
gamma(00000328)= 13.377479
|
|
z1= 1 -0.491384158624703E-08 0.000000000000000E+00
|
|
z1= 2 -0.257829865630242E-06 0.000000000000000E+00
|
|
z1= 3 -0.149798895336025E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133774791264038E+02 read= 0.129218511367513E+02)
|
|
Weight for this step= 0.15687E+00 0.33413E+01
|
|
|
|
Lanczos iteration: 329 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000329)= 0.000000
|
|
beta (00000329)= 12.921851
|
|
gamma(00000329)= 12.921851
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129218511367513E+02 read= 0.135128440027631E+02)
|
|
Weight for this step=-0.99188E-01 -0.23540E+01
|
|
|
|
Lanczos iteration: 330 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000330)= 0.000000
|
|
beta (00000330)= 13.512844
|
|
gamma(00000330)= 13.512844
|
|
z1= 1 0.409276153598296E-08 0.000000000000000E+00
|
|
z1= 2 0.262771486394576E-06 0.000000000000000E+00
|
|
z1= 3 0.143247344939905E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135128440027631E+02 read= 0.126035121989690E+02)
|
|
Weight for this step=-0.15464E+00 -0.33092E+01
|
|
|
|
Lanczos iteration: 331 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000331)= 0.000000
|
|
beta (00000331)= 12.603512
|
|
gamma(00000331)= 12.603512
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126035121989690E+02 read= 0.134836418318055E+02)
|
|
Weight for this step= 0.98576E-01 0.23519E+01
|
|
|
|
Lanczos iteration: 332 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000332)= 0.000000
|
|
beta (00000332)= 13.483642
|
|
gamma(00000332)= 13.483642
|
|
z1= 1 -0.318815392147268E-08 0.000000000000000E+00
|
|
z1= 2 -0.262615414482997E-06 0.000000000000000E+00
|
|
z1= 3 -0.133897034787871E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134836418318055E+02 read= 0.128291710988903E+02)
|
|
Weight for this step= 0.14916E+00 0.32074E+01
|
|
|
|
Lanczos iteration: 333 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000333)= 0.000000
|
|
beta (00000333)= 12.829171
|
|
gamma(00000333)= 12.829171
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128291710988903E+02 read= 0.133273118926341E+02)
|
|
Weight for this step=-0.96244E-01 -0.23083E+01
|
|
|
|
Lanczos iteration: 334 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000334)= 0.000000
|
|
beta (00000334)= 13.327312
|
|
gamma(00000334)= 13.327312
|
|
z1= 1 0.240503930166351E-08 0.000000000000000E+00
|
|
z1= 2 0.270557446224566E-06 0.000000000000000E+00
|
|
z1= 3 0.128892306473123E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133273118926341E+02 read= 0.123414734214388E+02)
|
|
Weight for this step=-0.14814E+00 -0.32009E+01
|
|
|
|
Lanczos iteration: 335 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000335)= 0.000000
|
|
beta (00000335)= 12.341473
|
|
gamma(00000335)= 12.341473
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.123414734214388E+02 read= 0.133537930992307E+02)
|
|
Weight for this step= 0.96334E-01 0.23228E+01
|
|
|
|
Lanczos iteration: 336 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000336)= 0.000000
|
|
beta (00000336)= 13.353793
|
|
gamma(00000336)= 13.353793
|
|
z1= 1 -0.146756696476225E-08 0.000000000000000E+00
|
|
z1= 2 -0.268798008058225E-06 0.000000000000000E+00
|
|
z1= 3 -0.119121283574293E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133537930992307E+02 read= 0.129498301364779E+02)
|
|
Weight for this step= 0.14146E+00 0.30721E+01
|
|
|
|
Lanczos iteration: 337 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000337)= 0.000000
|
|
beta (00000337)= 12.949830
|
|
gamma(00000337)= 12.949830
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129498301364779E+02 read= 0.133754692576611E+02)
|
|
Weight for this step=-0.92425E-01 -0.22400E+01
|
|
|
|
Lanczos iteration: 338 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000338)= 0.000000
|
|
beta (00000338)= 13.375469
|
|
gamma(00000338)= 13.375469
|
|
z1= 1 0.589841343465441E-09 0.000000000000000E+00
|
|
z1= 2 0.279006580407499E-06 0.000000000000000E+00
|
|
z1= 3 0.115330562106649E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133754692576611E+02 read= 0.126107080580035E+02)
|
|
Weight for this step=-0.14131E+00 -0.30840E+01
|
|
|
|
Lanczos iteration: 339 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000339)= 0.000000
|
|
beta (00000339)= 12.610708
|
|
gamma(00000339)= 12.610708
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126107080580035E+02 read= 0.132278628727614E+02)
|
|
Weight for this step= 0.90940E-01 0.22157E+01
|
|
|
|
Lanczos iteration: 340 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000340)= 0.000000
|
|
beta (00000340)= 13.227863
|
|
gamma(00000340)= 13.227863
|
|
z1= 1 0.295809023651873E-09 0.000000000000000E+00
|
|
z1= 2 -0.285360772869412E-06 0.000000000000000E+00
|
|
z1= 3 -0.109949737374958E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132278628727614E+02 read= 0.128947768307638E+02)
|
|
Weight for this step= 0.13905E+00 0.30498E+01
|
|
|
|
Lanczos iteration: 341 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000341)= 0.000000
|
|
beta (00000341)= 12.894777
|
|
gamma(00000341)= 12.894777
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128947768307638E+02 read= 0.135978047542225E+02)
|
|
Weight for this step=-0.86467E-01 -0.21182E+01
|
|
|
|
Lanczos iteration: 342 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000342)= 0.000000
|
|
beta (00000342)= 13.597805
|
|
gamma(00000342)= 13.597805
|
|
z1= 1 -0.110538035099977E-08 0.000000000000000E+00
|
|
z1= 2 0.289210811144796E-06 0.000000000000000E+00
|
|
z1= 3 0.104265162772745E-03 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135978047542225E+02 read= 0.127769937935318E+02)
|
|
Weight for this step=-0.13587E+00 -0.29941E+01
|
|
|
|
Lanczos iteration: 343 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000343)= 0.000000
|
|
beta (00000343)= 12.776994
|
|
gamma(00000343)= 12.776994
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127769937935318E+02 read= 0.136396226234907E+02)
|
|
Weight for this step= 0.85295E-01 0.21008E+01
|
|
|
|
Lanczos iteration: 344 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000344)= 0.000000
|
|
beta (00000344)= 13.639623
|
|
gamma(00000344)= 13.639623
|
|
z1= 1 0.189528513933404E-08 0.000000000000000E+00
|
|
z1= 2 -0.289887285078577E-06 0.000000000000000E+00
|
|
z1= 3 -0.976709821380196E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136396226234907E+02 read= 0.128804166244590E+02)
|
|
Weight for this step= 0.13121E+00 0.29055E+01
|
|
|
|
Lanczos iteration: 345 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000345)= 0.000000
|
|
beta (00000345)= 12.880417
|
|
gamma(00000345)= 12.880417
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128804166244590E+02 read= 0.133110059936710E+02)
|
|
Weight for this step=-0.83879E-01 -0.20770E+01
|
|
|
|
Lanczos iteration: 346 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000346)= 0.000000
|
|
beta (00000346)= 13.311006
|
|
gamma(00000346)= 13.311006
|
|
z1= 1 -0.274209400829119E-08 0.000000000000000E+00
|
|
z1= 2 0.300403434311573E-06 0.000000000000000E+00
|
|
z1= 3 0.945114849062421E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133110059936710E+02 read= 0.126338927357470E+02)
|
|
Weight for this step=-0.13094E+00 -0.29137E+01
|
|
|
|
Lanczos iteration: 347 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000347)= 0.000000
|
|
beta (00000347)= 12.633893
|
|
gamma(00000347)= 12.633893
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126338927357470E+02 read= 0.136146403325563E+02)
|
|
Weight for this step= 0.81821E-01 0.20373E+01
|
|
|
|
Lanczos iteration: 348 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000348)= 0.000000
|
|
beta (00000348)= 13.614640
|
|
gamma(00000348)= 13.614640
|
|
z1= 1 0.346119564915504E-08 0.000000000000000E+00
|
|
z1= 2 -0.298517996646149E-06 0.000000000000000E+00
|
|
z1= 3 -0.877032322143517E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136146403325563E+02 read= 0.128926426338851E+02)
|
|
Weight for this step= 0.12529E+00 0.28018E+01
|
|
|
|
Lanczos iteration: 349 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000349)= 0.000000
|
|
beta (00000349)= 12.892643
|
|
gamma(00000349)= 12.892643
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128926426338851E+02 read= 0.132882926182588E+02)
|
|
Weight for this step=-0.80259E-01 -0.20091E+01
|
|
|
|
Lanczos iteration: 350 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000350)= 0.000000
|
|
beta (00000350)= 13.288293
|
|
gamma(00000350)= 13.288293
|
|
z1= 1 -0.428350870995253E-08 0.000000000000000E+00
|
|
z1= 2 0.310192929413821E-06 0.000000000000000E+00
|
|
z1= 3 0.850919274024593E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132882926182588E+02 read= 0.126077852670236E+02)
|
|
Weight for this step=-0.12536E+00 -0.28173E+01
|
|
|
|
Lanczos iteration: 351 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000351)= 0.000000
|
|
beta (00000351)= 12.607785
|
|
gamma(00000351)= 12.607785
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126077852670236E+02 read= 0.135790860182205E+02)
|
|
Weight for this step= 0.78306E-01 0.19713E+01
|
|
|
|
Lanczos iteration: 352 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000352)= 0.000000
|
|
beta (00000352)= 13.579086
|
|
gamma(00000352)= 13.579086
|
|
z1= 1 0.484908304438855E-08 0.000000000000000E+00
|
|
z1= 2 -0.308320252705727E-06 0.000000000000000E+00
|
|
z1= 3 -0.790053724681475E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135790860182205E+02 read= 0.128384405482849E+02)
|
|
Weight for this step= 0.12003E+00 0.27108E+01
|
|
|
|
Lanczos iteration: 353 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000353)= 0.000000
|
|
beta (00000353)= 12.838441
|
|
gamma(00000353)= 12.838441
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128384405482849E+02 read= 0.130965046472566E+02)
|
|
Weight for this step=-0.76914E-01 -0.19468E+01
|
|
|
|
Lanczos iteration: 354 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000354)= 0.000000
|
|
beta (00000354)= 13.096505
|
|
gamma(00000354)= 13.096505
|
|
z1= 1 -0.571134771925165E-08 0.000000000000000E+00
|
|
z1= 2 0.323658671230504E-06 0.000000000000000E+00
|
|
z1= 3 0.774485868364466E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130965046472566E+02 read= 0.127349611310726E+02)
|
|
Weight for this step=-0.12136E+00 -0.27547E+01
|
|
|
|
Lanczos iteration: 355 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000355)= 0.000000
|
|
beta (00000355)= 12.734961
|
|
gamma(00000355)= 12.734961
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127349611310726E+02 read= 0.136026882638265E+02)
|
|
Weight for this step= 0.73076E-01 0.18605E+01
|
|
|
|
Lanczos iteration: 356 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000356)= 0.000000
|
|
beta (00000356)= 13.602688
|
|
gamma(00000356)= 13.602688
|
|
z1= 1 0.624769289639870E-08 0.000000000000000E+00
|
|
z1= 2 -0.323292126368875E-06 0.000000000000000E+00
|
|
z1= 3 -0.725080751604722E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136026882638265E+02 read= 0.129608626183384E+02)
|
|
Weight for this step= 0.11699E+00 0.26685E+01
|
|
|
|
Lanczos iteration: 357 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000357)= 0.000000
|
|
beta (00000357)= 12.960863
|
|
gamma(00000357)= 12.960863
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129608626183384E+02 read= 0.134846169384914E+02)
|
|
Weight for this step=-0.70992E-01 -0.18178E+01
|
|
|
|
Lanczos iteration: 358 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000358)= 0.000000
|
|
beta (00000358)= 13.484617
|
|
gamma(00000358)= 13.484617
|
|
z1= 1 -0.700209199351815E-08 0.000000000000000E+00
|
|
z1= 2 0.331412888267962E-06 0.000000000000000E+00
|
|
z1= 3 0.696917980807987E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134846169384914E+02 read= 0.129054143088699E+02)
|
|
Weight for this step=-0.11576E+00 -0.26531E+01
|
|
|
|
Lanczos iteration: 359 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000359)= 0.000000
|
|
beta (00000359)= 12.905414
|
|
gamma(00000359)= 12.905414
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129054143088699E+02 read= 0.136003492877379E+02)
|
|
Weight for this step= 0.68512E-01 0.17648E+01
|
|
|
|
Lanczos iteration: 360 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000360)= 0.000000
|
|
beta (00000360)= 13.600349
|
|
gamma(00000360)= 13.600349
|
|
z1= 1 0.760084142327477E-08 0.000000000000000E+00
|
|
z1= 2 -0.335009491843525E-06 0.000000000000000E+00
|
|
z1= 3 -0.661307668746759E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136003492877379E+02 read= 0.123425051575471E+02)
|
|
Weight for this step= 0.11301E+00 0.26025E+01
|
|
|
|
Lanczos iteration: 361 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000361)= 0.000000
|
|
beta (00000361)= 12.342505
|
|
gamma(00000361)= 12.342505
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.123425051575471E+02 read= 0.136874033393910E+02)
|
|
Weight for this step=-0.69711E-01 -0.18066E+01
|
|
|
|
Lanczos iteration: 362 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000362)= 0.000000
|
|
beta (00000362)= 13.687403
|
|
gamma(00000362)= 13.687403
|
|
z1= 1 -0.783529448803886E-08 0.000000000000000E+00
|
|
z1= 2 0.323812034191858E-06 0.000000000000000E+00
|
|
z1= 3 0.596328836802639E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136874033393910E+02 read= 0.127645173301285E+02)
|
|
Weight for this step=-0.10511E+00 -0.24332E+01
|
|
|
|
Lanczos iteration: 363 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000363)= 0.000000
|
|
beta (00000363)= 12.764517
|
|
gamma(00000363)= 12.764517
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127645173301285E+02 read= 0.133823955288197E+02)
|
|
Weight for this step= 0.69552E-01 0.18124E+01
|
|
|
|
Lanczos iteration: 364 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000364)= 0.000000
|
|
beta (00000364)= 13.382396
|
|
gamma(00000364)= 13.382396
|
|
z1= 1 0.852217046319039E-08 0.000000000000000E+00
|
|
z1= 2 -0.331928060918270E-06 0.000000000000000E+00
|
|
z1= 3 -0.568795755245760E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133823955288197E+02 read= 0.120429026177314E+02)
|
|
Weight for this step= 0.10353E+00 0.24095E+01
|
|
|
|
Lanczos iteration: 365 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000365)= 0.000000
|
|
beta (00000365)= 12.042903
|
|
gamma(00000365)= 12.042903
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.120429026177314E+02 read= 0.132303522197031E+02)
|
|
Weight for this step=-0.71861E-01 -0.18831E+01
|
|
|
|
Lanczos iteration: 366 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000366)= 0.000000
|
|
beta (00000366)= 13.230352
|
|
gamma(00000366)= 13.230352
|
|
z1= 1 -0.893655773418823E-08 0.000000000000000E+00
|
|
z1= 2 0.327069087031017E-06 0.000000000000000E+00
|
|
z1= 3 0.517745240341478E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132303522197031E+02 read= 0.127618730437734E+02)
|
|
Weight for this step=-0.97647E-01 -0.22864E+01
|
|
|
|
Lanczos iteration: 367 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000367)= 0.000000
|
|
beta (00000367)= 12.761873
|
|
gamma(00000367)= 12.761873
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127618730437734E+02 read= 0.134105196543084E+02)
|
|
Weight for this step= 0.69669E-01 0.18349E+01
|
|
|
|
Lanczos iteration: 368 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000368)= 0.000000
|
|
beta (00000368)= 13.410520
|
|
gamma(00000368)= 13.410520
|
|
z1= 1 0.972101179853033E-08 0.000000000000000E+00
|
|
z1= 2 -0.335984725622539E-06 0.000000000000000E+00
|
|
z1= 3 -0.492702683905308E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134105196543084E+02 read= 0.125135162855591E+02)
|
|
Weight for this step= 0.96188E-01 0.22654E+01
|
|
|
|
Lanczos iteration: 369 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000369)= 0.000000
|
|
beta (00000369)= 12.513516
|
|
gamma(00000369)= 12.513516
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125135162855591E+02 read= 0.136022614715911E+02)
|
|
Weight for this step=-0.69812E-01 -0.18479E+01
|
|
|
|
Lanczos iteration: 370 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000370)= 0.000000
|
|
beta (00000370)= 13.602261
|
|
gamma(00000370)= 13.602261
|
|
z1= 1 -0.102103132002267E-07 0.000000000000000E+00
|
|
z1= 2 0.334249142530337E-06 0.000000000000000E+00
|
|
z1= 3 0.453266030200532E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136022614715911E+02 read= 0.127019076317138E+02)
|
|
Weight for this step=-0.91713E-01 -0.21730E+01
|
|
|
|
Lanczos iteration: 371 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000371)= 0.000000
|
|
beta (00000371)= 12.701908
|
|
gamma(00000371)= 12.701908
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127019076317138E+02 read= 0.134528567624407E+02)
|
|
Weight for this step= 0.70206E-01 0.18669E+01
|
|
|
|
Lanczos iteration: 372 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000372)= 0.000000
|
|
beta (00000372)= 13.452857
|
|
gamma(00000372)= 13.452857
|
|
z1= 1 0.109757790247417E-07 0.000000000000000E+00
|
|
z1= 2 -0.341749406443533E-06 0.000000000000000E+00
|
|
z1= 3 -0.427964361016803E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134528567624407E+02 read= 0.129634445170818E+02)
|
|
Weight for this step= 0.89871E-01 0.21426E+01
|
|
|
|
Lanczos iteration: 373 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000373)= 0.000000
|
|
beta (00000373)= 12.963445
|
|
gamma(00000373)= 12.963445
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129634445170818E+02 read= 0.136432492999606E+02)
|
|
Weight for this step=-0.68483E-01 -0.18292E+01
|
|
|
|
Lanczos iteration: 374 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000374)= 0.000000
|
|
beta (00000374)= 13.643249
|
|
gamma(00000374)= 13.643249
|
|
z1= 1 -0.117373710507851E-07 0.000000000000000E+00
|
|
z1= 2 0.350667091780126E-06 0.000000000000000E+00
|
|
z1= 3 0.406640099241940E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136432492999606E+02 read= 0.125885816305094E+02)
|
|
Weight for this step=-0.88544E-01 -0.21236E+01
|
|
|
|
Lanczos iteration: 375 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000375)= 0.000000
|
|
beta (00000375)= 12.588582
|
|
gamma(00000375)= 12.588582
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125885816305094E+02 read= 0.134156914582040E+02)
|
|
Weight for this step= 0.69785E-01 0.18720E+01
|
|
|
|
Lanczos iteration: 376 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000376)= 0.000000
|
|
beta (00000376)= 13.415691
|
|
gamma(00000376)= 13.415691
|
|
z1= 1 0.124919375939854E-07 0.000000000000000E+00
|
|
z1= 2 -0.356725595640126E-06 0.000000000000000E+00
|
|
z1= 3 -0.381569753559372E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134156914582040E+02 read= 0.130903107439119E+02)
|
|
Weight for this step= 0.86351E-01 0.20840E+01
|
|
|
|
Lanczos iteration: 377 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000377)= 0.000000
|
|
beta (00000377)= 13.090311
|
|
gamma(00000377)= 13.090311
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130903107439119E+02 read= 0.133509440974549E+02)
|
|
Weight for this step=-0.67361E-01 -0.18143E+01
|
|
|
|
Lanczos iteration: 378 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000378)= 0.000000
|
|
beta (00000378)= 13.350944
|
|
gamma(00000378)= 13.350944
|
|
z1= 1 -0.137691346646911E-07 0.000000000000000E+00
|
|
z1= 2 0.377452683269532E-06 0.000000000000000E+00
|
|
z1= 3 0.374120856779948E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133509440974549E+02 read= 0.125836866544887E+02)
|
|
Weight for this step=-0.87832E-01 -0.21323E+01
|
|
|
|
Lanczos iteration: 379 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000379)= 0.000000
|
|
beta (00000379)= 12.583687
|
|
gamma(00000379)= 12.583687
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125836866544887E+02 read= 0.136372489344669E+02)
|
|
Weight for this step= 0.67068E-01 0.18140E+01
|
|
|
|
Lanczos iteration: 380 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000380)= 0.000000
|
|
beta (00000380)= 13.637249
|
|
gamma(00000380)= 13.637249
|
|
z1= 1 0.143043341389209E-07 0.000000000000000E+00
|
|
z1= 2 -0.376132040777900E-06 0.000000000000000E+00
|
|
z1= 3 -0.345217694216822E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136372489344669E+02 read= 0.129631677396158E+02)
|
|
Weight for this step= 0.84133E-01 0.20546E+01
|
|
|
|
Lanczos iteration: 381 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000381)= 0.000000
|
|
beta (00000381)= 12.963168
|
|
gamma(00000381)= 12.963168
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129631677396158E+02 read= 0.134562125620236E+02)
|
|
Weight for this step=-0.66466E-01 -0.18046E+01
|
|
|
|
Lanczos iteration: 382 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000382)= 0.000000
|
|
beta (00000382)= 13.456213
|
|
gamma(00000382)= 13.456213
|
|
z1= 1 -0.155403870306611E-07 0.000000000000000E+00
|
|
z1= 2 0.391054151603127E-06 0.000000000000000E+00
|
|
z1= 3 0.332568682025569E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134562125620236E+02 read= 0.129501514067239E+02)
|
|
Weight for this step=-0.84149E-01 -0.20671E+01
|
|
|
|
Lanczos iteration: 383 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000383)= 0.000000
|
|
beta (00000383)= 12.950151
|
|
gamma(00000383)= 12.950151
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129501514067239E+02 read= 0.133928622878190E+02)
|
|
Weight for this step= 0.64969E-01 0.17706E+01
|
|
|
|
Lanczos iteration: 384 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000384)= 0.000000
|
|
beta (00000384)= 13.392862
|
|
gamma(00000384)= 13.392862
|
|
z1= 1 0.167851750352134E-07 0.000000000000000E+00
|
|
z1= 2 -0.406925311967154E-06 0.000000000000000E+00
|
|
z1= 3 -0.321575380438069E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133928622878190E+02 read= 0.124489749682064E+02)
|
|
Weight for this step= 0.84411E-01 0.20854E+01
|
|
|
|
Lanczos iteration: 385 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000385)= 0.000000
|
|
beta (00000385)= 12.448975
|
|
gamma(00000385)= 12.448975
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124489749682064E+02 read= 0.132305383772551E+02)
|
|
Weight for this step=-0.65624E-01 -0.17952E+01
|
|
|
|
Lanczos iteration: 386 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000386)= 0.000000
|
|
beta (00000386)= 13.230538
|
|
gamma(00000386)= 13.230538
|
|
z1= 1 -0.175964382594009E-07 0.000000000000000E+00
|
|
z1= 2 0.412894626061961E-06 0.000000000000000E+00
|
|
z1= 3 0.302579059695994E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132305383772551E+02 read= 0.129503043829356E+02)
|
|
Weight for this step=-0.82536E-01 -0.20510E+01
|
|
|
|
Lanczos iteration: 387 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000387)= 0.000000
|
|
beta (00000387)= 12.950304
|
|
gamma(00000387)= 12.950304
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129503043829356E+02 read= 0.131606456070336E+02)
|
|
Weight for this step= 0.63031E-01 0.17304E+01
|
|
|
|
Lanczos iteration: 388 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000388)= 0.000000
|
|
beta (00000388)= 13.160646
|
|
gamma(00000388)= 13.160646
|
|
z1= 1 0.191024880734489E-07 0.000000000000000E+00
|
|
z1= 2 -0.435775577835047E-06 0.000000000000000E+00
|
|
z1= 3 -0.297743062153775E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131606456070336E+02 read= 0.127459854142338E+02)
|
|
Weight for this step= 0.84220E-01 0.21043E+01
|
|
|
|
Lanczos iteration: 389 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000389)= 0.000000
|
|
beta (00000389)= 12.745985
|
|
gamma(00000389)= 12.745985
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127459854142338E+02 read= 0.135465436200386E+02)
|
|
Weight for this step=-0.60921E-01 -0.16786E+01
|
|
|
|
Lanczos iteration: 390 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000390)= 0.000000
|
|
beta (00000390)= 13.546544
|
|
gamma(00000390)= 13.546544
|
|
z1= 1 -0.196263711705084E-07 0.000000000000000E+00
|
|
z1= 2 0.438085696914745E-06 0.000000000000000E+00
|
|
z1= 3 0.280147381785346E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135465436200386E+02 read= 0.127423407702504E+02)
|
|
Weight for this step=-0.82063E-01 -0.20610E+01
|
|
|
|
Lanczos iteration: 391 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000391)= 0.000000
|
|
beta (00000391)= 12.742341
|
|
gamma(00000391)= 12.742341
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127423407702504E+02 read= 0.131646617276645E+02)
|
|
Weight for this step= 0.60712E-01 0.16786E+01
|
|
|
|
Lanczos iteration: 392 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000392)= 0.000000
|
|
beta (00000392)= 13.164662
|
|
gamma(00000392)= 13.164662
|
|
z1= 1 0.206935132319661E-07 0.000000000000000E+00
|
|
z1= 2 -0.453151666456606E-06 0.000000000000000E+00
|
|
z1= 3 -0.271160283374086E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131646617276645E+02 read= 0.127533655400297E+02)
|
|
Weight for this step= 0.82322E-01 0.20784E+01
|
|
|
|
Lanczos iteration: 393 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000393)= 0.000000
|
|
beta (00000393)= 12.753366
|
|
gamma(00000393)= 12.753366
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127533655400297E+02 read= 0.133431704502034E+02)
|
|
Weight for this step=-0.58608E-01 -0.16261E+01
|
|
|
|
Lanczos iteration: 394 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000394)= 0.000000
|
|
beta (00000394)= 13.343170
|
|
gamma(00000394)= 13.343170
|
|
z1= 1 -0.213691990085018E-07 0.000000000000000E+00
|
|
z1= 2 0.461107417972027E-06 0.000000000000000E+00
|
|
z1= 3 0.259174251479987E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133431704502034E+02 read= 0.126204030791526E+02)
|
|
Weight for this step=-0.81436E-01 -0.20663E+01
|
|
|
|
Lanczos iteration: 395 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000395)= 0.000000
|
|
beta (00000395)= 12.620403
|
|
gamma(00000395)= 12.620403
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126204030791526E+02 read= 0.132598287397751E+02)
|
|
Weight for this step= 0.57904E-01 0.16120E+01
|
|
|
|
Lanczos iteration: 396 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000396)= 0.000000
|
|
beta (00000396)= 13.259829
|
|
gamma(00000396)= 13.259829
|
|
z1= 1 0.219380913522166E-07 0.000000000000000E+00
|
|
z1= 2 -0.467071798065791E-06 0.000000000000000E+00
|
|
z1= 3 -0.246676151373897E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132598287397751E+02 read= 0.126582330745220E+02)
|
|
Weight for this step= 0.80246E-01 0.20462E+01
|
|
|
|
Lanczos iteration: 397 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000397)= 0.000000
|
|
beta (00000397)= 12.658233
|
|
gamma(00000397)= 12.658233
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126582330745220E+02 read= 0.131394330150256E+02)
|
|
Weight for this step=-0.56668E-01 -0.15828E+01
|
|
|
|
Lanczos iteration: 398 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000398)= 0.000000
|
|
beta (00000398)= 13.139433
|
|
gamma(00000398)= 13.139433
|
|
z1= 1 -0.227983769518101E-07 0.000000000000000E+00
|
|
z1= 2 0.478088587272180E-06 0.000000000000000E+00
|
|
z1= 3 0.237642234215242E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131394330150256E+02 read= 0.128986108920373E+02)
|
|
Weight for this step=-0.80010E-01 -0.20502E+01
|
|
|
|
Lanczos iteration: 399 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000399)= 0.000000
|
|
beta (00000399)= 12.898611
|
|
gamma(00000399)= 12.898611
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128986108920373E+02 read= 0.135970969807102E+02)
|
|
Weight for this step= 0.53824E-01 0.15083E+01
|
|
|
|
Lanczos iteration: 400 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000400)= 0.000000
|
|
beta (00000400)= 13.597097
|
|
gamma(00000400)= 13.597097
|
|
z1= 1 0.231759777399583E-07 0.000000000000000E+00
|
|
z1= 2 -0.479686904897850E-06 0.000000000000000E+00
|
|
z1= 3 -0.225434496422330E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135970969807102E+02 read= 0.126893165334579E+02)
|
|
Weight for this step= 0.78380E-01 0.20175E+01
|
|
|
|
Lanczos iteration: 401 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000401)= 0.000000
|
|
beta (00000401)= 12.689317
|
|
gamma(00000401)= 12.689317
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126893165334579E+02 read= 0.133867832908988E+02)
|
|
Weight for this step=-0.53790E-01 -0.15121E+01
|
|
|
|
Lanczos iteration: 402 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000402)= 0.000000
|
|
beta (00000402)= 13.386783
|
|
gamma(00000402)= 13.386783
|
|
z1= 1 -0.236491030905961E-07 0.000000000000000E+00
|
|
z1= 2 0.481615771521214E-06 0.000000000000000E+00
|
|
z1= 3 0.213689100697274E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133867832908988E+02 read= 0.129505015954253E+02)
|
|
Weight for this step=-0.76814E-01 -0.19863E+01
|
|
|
|
Lanczos iteration: 403 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000403)= 0.000000
|
|
beta (00000403)= 12.950502
|
|
gamma(00000403)= 12.950502
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129505015954253E+02 read= 0.131867079225826E+02)
|
|
Weight for this step= 0.51873E-01 0.14627E+01
|
|
|
|
Lanczos iteration: 404 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000404)= 0.000000
|
|
beta (00000404)= 13.186708
|
|
gamma(00000404)= 13.186708
|
|
z1= 1 0.249588463061175E-07 0.000000000000000E+00
|
|
z1= 2 -0.499683867075703E-06 0.000000000000000E+00
|
|
z1= 3 -0.209861404055264E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131867079225826E+02 read= 0.128527373541415E+02)
|
|
Weight for this step= 0.77902E-01 0.20233E+01
|
|
|
|
Lanczos iteration: 405 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000405)= 0.000000
|
|
beta (00000405)= 12.852737
|
|
gamma(00000405)= 12.852737
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128527373541415E+02 read= 0.134822152553080E+02)
|
|
Weight for this step=-0.49411E-01 -0.13976E+01
|
|
|
|
Lanczos iteration: 406 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000406)= 0.000000
|
|
beta (00000406)= 13.482215
|
|
gamma(00000406)= 13.482215
|
|
z1= 1 -0.254555184696923E-07 0.000000000000000E+00
|
|
z1= 2 0.501615709453231E-06 0.000000000000000E+00
|
|
z1= 3 0.200063079843129E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134822152553080E+02 read= 0.125109260212177E+02)
|
|
Weight for this step=-0.76560E-01 -0.19967E+01
|
|
|
|
Lanczos iteration: 407 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000407)= 0.000000
|
|
beta (00000407)= 12.510926
|
|
gamma(00000407)= 12.510926
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125109260212177E+02 read= 0.132889762211019E+02)
|
|
Weight for this step= 0.49401E-01 0.14016E+01
|
|
|
|
Lanczos iteration: 408 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000408)= 0.000000
|
|
beta (00000408)= 13.288976
|
|
gamma(00000408)= 13.288976
|
|
z1= 1 0.257020258353190E-07 0.000000000000000E+00
|
|
z1= 2 -0.498631404330439E-06 0.000000000000000E+00
|
|
z1= 3 -0.188349677947208E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132889762211019E+02 read= 0.129695737196069E+02)
|
|
Weight for this step= 0.74406E-01 0.19489E+01
|
|
|
|
Lanczos iteration: 409 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000409)= 0.000000
|
|
beta (00000409)= 12.969574
|
|
gamma(00000409)= 12.969574
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129695737196069E+02 read= 0.132082386858437E+02)
|
|
Weight for this step=-0.47012E-01 -0.13378E+01
|
|
|
|
Lanczos iteration: 410 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000410)= 0.000000
|
|
beta (00000410)= 13.208239
|
|
gamma(00000410)= 13.208239
|
|
z1= 1 -0.270102927933289E-07 0.000000000000000E+00
|
|
z1= 2 0.515835932559912E-06 0.000000000000000E+00
|
|
z1= 3 0.184946312017545E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132082386858437E+02 read= 0.131909667753731E+02)
|
|
Weight for this step=-0.75290E-01 -0.19800E+01
|
|
|
|
Lanczos iteration: 411 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000411)= 0.000000
|
|
beta (00000411)= 13.190967
|
|
gamma(00000411)= 13.190967
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.131909667753731E+02 read= 0.134101215877615E+02)
|
|
Weight for this step= 0.43488E-01 0.12413E+01
|
|
|
|
Lanczos iteration: 412 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000412)= 0.000000
|
|
beta (00000412)= 13.410122
|
|
gamma(00000412)= 13.410122
|
|
z1= 1 0.282093483141904E-07 0.000000000000000E+00
|
|
z1= 2 -0.532431142741816E-06 0.000000000000000E+00
|
|
z1= 3 -0.181923828287689E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134101215877615E+02 read= 0.124829645005485E+02)
|
|
Weight for this step= 0.76090E-01 0.20082E+01
|
|
|
|
Lanczos iteration: 413 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000413)= 0.000000
|
|
beta (00000413)= 12.482965
|
|
gamma(00000413)= 12.482965
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124829645005485E+02 read= 0.136193739876511E+02)
|
|
Weight for this step=-0.42888E-01 -0.12282E+01
|
|
|
|
Lanczos iteration: 414 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000414)= 0.000000
|
|
beta (00000414)= 13.619374
|
|
gamma(00000414)= 13.619374
|
|
z1= 1 -0.274339706838429E-07 0.000000000000000E+00
|
|
z1= 2 0.513475364376877E-06 0.000000000000000E+00
|
|
z1= 3 0.166743984882844E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136193739876511E+02 read= 0.130315979135038E+02)
|
|
Weight for this step=-0.71712E-01 -0.18997E+01
|
|
|
|
Lanczos iteration: 415 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000415)= 0.000000
|
|
beta (00000415)= 13.031598
|
|
gamma(00000415)= 13.031598
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.130315979135038E+02 read= 0.132902444882612E+02)
|
|
Weight for this step= 0.41366E-01 0.11881E+01
|
|
|
|
Lanczos iteration: 416 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000416)= 0.000000
|
|
beta (00000416)= 13.290244
|
|
gamma(00000416)= 13.290244
|
|
z1= 1 0.285204707837746E-07 0.000000000000000E+00
|
|
z1= 2 -0.529722853708539E-06 0.000000000000000E+00
|
|
z1= 3 -0.163498915870357E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132902444882612E+02 read= 0.129351089592642E+02)
|
|
Weight for this step= 0.72264E-01 0.19212E+01
|
|
|
|
Lanczos iteration: 417 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000417)= 0.000000
|
|
beta (00000417)= 12.935109
|
|
gamma(00000417)= 12.935109
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129351089592642E+02 read= 0.136343306456064E+02)
|
|
Weight for this step=-0.38993E-01 -0.11235E+01
|
|
|
|
Lanczos iteration: 418 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000418)= 0.000000
|
|
beta (00000418)= 13.634331
|
|
gamma(00000418)= 13.634331
|
|
z1= 1 -0.285055319737115E-07 0.000000000000000E+00
|
|
z1= 2 0.527588488118483E-06 0.000000000000000E+00
|
|
z1= 3 0.155114053375428E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136343306456064E+02 read= 0.126251465621173E+02)
|
|
Weight for this step=-0.70348E-01 -0.18766E+01
|
|
|
|
Lanczos iteration: 419 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000419)= 0.000000
|
|
beta (00000419)= 12.625147
|
|
gamma(00000419)= 12.625147
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126251465621173E+02 read= 0.136810496940299E+02)
|
|
Weight for this step= 0.38612E-01 0.11160E+01
|
|
|
|
Lanczos iteration: 420 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000420)= 0.000000
|
|
beta (00000420)= 13.681050
|
|
gamma(00000420)= 13.681050
|
|
z1= 1 0.277444356811950E-07 0.000000000000000E+00
|
|
z1= 2 -0.512562145667456E-06 0.000000000000000E+00
|
|
z1= 3 -0.143142353949645E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136810496940299E+02 read= 0.125441052478290E+02)
|
|
Weight for this step= 0.66684E-01 0.17852E+01
|
|
|
|
Lanczos iteration: 421 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000421)= 0.000000
|
|
beta (00000421)= 12.544105
|
|
gamma(00000421)= 12.544105
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125441052478290E+02 read= 0.131951742083079E+02)
|
|
Weight for this step=-0.38774E-01 -0.11240E+01
|
|
|
|
Lanczos iteration: 422 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000422)= 0.000000
|
|
beta (00000422)= 13.195174
|
|
gamma(00000422)= 13.195174
|
|
z1= 1 -0.278811121068247E-07 0.000000000000000E+00
|
|
z1= 2 0.514769527598587E-06 0.000000000000000E+00
|
|
z1= 3 0.136079503385935E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131951742083079E+02 read= 0.129891919476570E+02)
|
|
Weight for this step=-0.65233E-01 -0.17529E+01
|
|
|
|
Lanczos iteration: 423 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000423)= 0.000000
|
|
beta (00000423)= 12.989192
|
|
gamma(00000423)= 12.989192
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129891919476570E+02 read= 0.132269058776635E+02)
|
|
Weight for this step= 0.36236E-01 0.10535E+01
|
|
|
|
Lanczos iteration: 424 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000424)= 0.000000
|
|
beta (00000424)= 13.226906
|
|
gamma(00000424)= 13.226906
|
|
z1= 1 0.288397270328702E-07 0.000000000000000E+00
|
|
z1= 2 -0.532165774078371E-06 0.000000000000000E+00
|
|
z1= 3 -0.133633882781594E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132269058776635E+02 read= 0.126380831626601E+02)
|
|
Weight for this step= 0.65774E-01 0.17735E+01
|
|
|
|
Lanczos iteration: 425 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000425)= 0.000000
|
|
beta (00000425)= 12.638083
|
|
gamma(00000425)= 12.638083
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126380831626601E+02 read= 0.137856697948589E+02)
|
|
Weight for this step=-0.34658E-01 -0.10107E+01
|
|
|
|
Lanczos iteration: 426 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000426)= 0.000000
|
|
beta (00000426)= 13.785670
|
|
gamma(00000426)= 13.785670
|
|
z1= 1 -0.278481342486959E-07 0.000000000000000E+00
|
|
z1= 2 0.513449296817280E-06 0.000000000000000E+00
|
|
z1= 3 0.122509544263532E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.137856697948589E+02 read= 0.124731073806724E+02)
|
|
Weight for this step=-0.61871E-01 -0.16739E+01
|
|
|
|
Lanczos iteration: 427 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000427)= 0.000000
|
|
beta (00000427)= 12.473107
|
|
gamma(00000427)= 12.473107
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124731073806724E+02 read= 0.135639024998632E+02)
|
|
Weight for this step= 0.35192E-01 0.10292E+01
|
|
|
|
Lanczos iteration: 428 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000428)= 0.000000
|
|
beta (00000428)= 13.563902
|
|
gamma(00000428)= 13.563902
|
|
z1= 1 0.271310704040334E-07 0.000000000000000E+00
|
|
z1= 2 -0.499660740122389E-06 0.000000000000000E+00
|
|
z1= 3 -0.112657452437997E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135639024998632E+02 read= 0.125943524413101E+02)
|
|
Weight for this step= 0.58518E-01 0.15889E+01
|
|
|
|
Lanczos iteration: 429 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000429)= 0.000000
|
|
beta (00000429)= 12.594352
|
|
gamma(00000429)= 12.594352
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125943524413101E+02 read= 0.134056032861003E+02)
|
|
Weight for this step=-0.34986E-01 -0.10259E+01
|
|
|
|
Lanczos iteration: 430 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000430)= 0.000000
|
|
beta (00000430)= 13.405603
|
|
gamma(00000430)= 13.405603
|
|
z1= 1 -0.270348591612033E-07 0.000000000000000E+00
|
|
z1= 2 0.498225632924543E-06 0.000000000000000E+00
|
|
z1= 3 0.105839896262783E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134056032861003E+02 read= 0.129984810444997E+02)
|
|
Weight for this step=-0.56608E-01 -0.15429E+01
|
|
|
|
Lanczos iteration: 431 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000431)= 0.000000
|
|
beta (00000431)= 12.998481
|
|
gamma(00000431)= 12.998481
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129984810444997E+02 read= 0.132942462405519E+02)
|
|
Weight for this step= 0.33350E-01 0.98028E+00
|
|
|
|
Lanczos iteration: 432 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000432)= 0.000000
|
|
beta (00000432)= 13.294246
|
|
gamma(00000432)= 13.294246
|
|
z1= 1 0.280314958570499E-07 0.000000000000000E+00
|
|
z1= 2 -0.515722828723665E-06 0.000000000000000E+00
|
|
z1= 3 -0.103485211603790E-04 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132942462405519E+02 read= 0.128232796236287E+02)
|
|
Weight for this step= 0.56917E-01 0.15568E+01
|
|
|
|
Lanczos iteration: 433 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000433)= 0.000000
|
|
beta (00000433)= 12.823280
|
|
gamma(00000433)= 12.823280
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128232796236287E+02 read= 0.138375288558497E+02)
|
|
Weight for this step=-0.31790E-01 -0.93681E+00
|
|
|
|
Lanczos iteration: 434 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000434)= 0.000000
|
|
beta (00000434)= 13.837529
|
|
gamma(00000434)= 13.837529
|
|
z1= 1 -0.274291873303878E-07 0.000000000000000E+00
|
|
z1= 2 0.505015258523702E-06 0.000000000000000E+00
|
|
z1= 3 0.959000569482425E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.138375288558497E+02 read= 0.125393705376796E+02)
|
|
Weight for this step=-0.54182E-01 -0.14870E+01
|
|
|
|
Lanczos iteration: 435 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000435)= 0.000000
|
|
beta (00000435)= 12.539371
|
|
gamma(00000435)= 12.539371
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125393705376796E+02 read= 0.135245930522942E+02)
|
|
Weight for this step= 0.32372E-01 0.95616E+00
|
|
|
|
Lanczos iteration: 436 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000436)= 0.000000
|
|
beta (00000436)= 13.524593
|
|
gamma(00000436)= 13.524593
|
|
z1= 1 0.269851938308291E-07 0.000000000000000E+00
|
|
z1= 2 -0.497644255713250E-06 0.000000000000000E+00
|
|
z1= 3 -0.889140504271684E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135245930522942E+02 read= 0.125083780597448E+02)
|
|
Weight for this step= 0.51731E-01 0.14250E+01
|
|
|
|
Lanczos iteration: 437 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000437)= 0.000000
|
|
beta (00000437)= 12.508378
|
|
gamma(00000437)= 12.508378
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125083780597448E+02 read= 0.130254594691760E+02)
|
|
Weight for this step=-0.32408E-01 -0.95926E+00
|
|
|
|
Lanczos iteration: 438 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000438)= 0.000000
|
|
beta (00000438)= 13.025459
|
|
gamma(00000438)= 13.025459
|
|
z1= 1 -0.276718236563766E-07 0.000000000000000E+00
|
|
z1= 2 0.509633584884093E-06 0.000000000000000E+00
|
|
z1= 3 0.853843628468003E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130254594691760E+02 read= 0.129259423754184E+02)
|
|
Weight for this step=-0.51232E-01 -0.14166E+01
|
|
|
|
Lanczos iteration: 439 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000439)= 0.000000
|
|
beta (00000439)= 12.925942
|
|
gamma(00000439)= 12.925942
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129259423754184E+02 read= 0.130495258329156E+02)
|
|
Weight for this step= 0.30173E-01 0.89490E+00
|
|
|
|
Lanczos iteration: 440 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000440)= 0.000000
|
|
beta (00000440)= 13.049526
|
|
gamma(00000440)= 13.049526
|
|
z1= 1 0.291979054106424E-07 0.000000000000000E+00
|
|
z1= 2 -0.535925231263750E-06 0.000000000000000E+00
|
|
z1= 3 -0.845757438276695E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130495258329156E+02 read= 0.127109464068335E+02)
|
|
Weight for this step= 0.52192E-01 0.14481E+01
|
|
|
|
Lanczos iteration: 441 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000441)= 0.000000
|
|
beta (00000441)= 12.710946
|
|
gamma(00000441)= 12.710946
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127109464068335E+02 read= 0.133984272019887E+02)
|
|
Weight for this step=-0.28403E-01 -0.84416E+00
|
|
|
|
Lanczos iteration: 442 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000442)= 0.000000
|
|
beta (00000442)= 13.398427
|
|
gamma(00000442)= 13.398427
|
|
z1= 1 -0.295833238820860E-07 0.000000000000000E+00
|
|
z1= 2 0.538454905892917E-06 0.000000000000000E+00
|
|
z1= 3 0.802361150981871E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133984272019887E+02 read= 0.124959807473728E+02)
|
|
Weight for this step=-0.50839E-01 -0.14150E+01
|
|
|
|
Lanczos iteration: 443 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000443)= 0.000000
|
|
beta (00000443)= 12.495981
|
|
gamma(00000443)= 12.495981
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.124959807473728E+02 read= 0.137615853917206E+02)
|
|
Weight for this step= 0.27904E-01 0.83099E+00
|
|
|
|
Lanczos iteration: 444 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000444)= 0.000000
|
|
beta (00000444)= 13.761585
|
|
gamma(00000444)= 13.761585
|
|
z1= 1 0.288730503009653E-07 0.000000000000000E+00
|
|
z1= 2 -0.519374814459891E-06 0.000000000000000E+00
|
|
z1= 3 -0.728570815765502E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.137615853917206E+02 read= 0.127850221334602E+02)
|
|
Weight for this step= 0.47430E-01 0.13244E+01
|
|
|
|
Lanczos iteration: 445 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000445)= 0.000000
|
|
beta (00000445)= 12.785022
|
|
gamma(00000445)= 12.785022
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127850221334602E+02 read= 0.131942972248943E+02)
|
|
Weight for this step=-0.27710E-01 -0.82665E+00
|
|
|
|
Lanczos iteration: 446 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000446)= 0.000000
|
|
beta (00000446)= 13.194297
|
|
gamma(00000446)= 13.194297
|
|
z1= 1 -0.302189093276070E-07 0.000000000000000E+00
|
|
z1= 2 0.536488241728063E-06 0.000000000000000E+00
|
|
z1= 3 0.705971212153992E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131942972248943E+02 read= 0.129449734412671E+02)
|
|
Weight for this step=-0.47271E-01 -0.13244E+01
|
|
|
|
Lanczos iteration: 447 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000447)= 0.000000
|
|
beta (00000447)= 12.944973
|
|
gamma(00000447)= 12.944973
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129449734412671E+02 read= 0.131267251546626E+02)
|
|
Weight for this step= 0.25956E-01 0.77560E+00
|
|
|
|
Lanczos iteration: 448 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000448)= 0.000000
|
|
beta (00000448)= 13.126725
|
|
gamma(00000448)= 13.126725
|
|
z1= 1 0.320193740635131E-07 0.000000000000000E+00
|
|
z1= 2 -0.562041131638527E-06 0.000000000000000E+00
|
|
z1= 3 -0.696196384396101E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.131267251546626E+02 read= 0.133118345229897E+02)
|
|
Weight for this step= 0.47852E-01 0.13447E+01
|
|
|
|
Lanczos iteration: 449 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000449)= 0.000000
|
|
beta (00000449)= 13.311835
|
|
gamma(00000449)= 13.311835
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.133118345229897E+02 read= 0.130958113351044E+02)
|
|
Weight for this step=-0.23343E-01 -0.69868E+00
|
|
|
|
Lanczos iteration: 450 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000450)= 0.000000
|
|
beta (00000450)= 13.095811
|
|
gamma(00000450)= 13.095811
|
|
z1= 1 -0.345833274767015E-07 0.000000000000000E+00
|
|
z1= 2 0.602909584427247E-06 0.000000000000000E+00
|
|
z1= 3 0.707680557350196E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.130958113351044E+02 read= 0.129286465044547E+02)
|
|
Weight for this step=-0.49755E-01 -0.14018E+01
|
|
|
|
Lanczos iteration: 451 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000451)= 0.000000
|
|
beta (00000451)= 12.928647
|
|
gamma(00000451)= 12.928647
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129286465044547E+02 read= 0.133239643279604E+02)
|
|
Weight for this step= 0.21234E-01 0.63674E+00
|
|
|
|
Lanczos iteration: 452 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000452)= 0.000000
|
|
beta (00000452)= 13.323964
|
|
gamma(00000452)= 13.323964
|
|
z1= 1 0.354337229553463E-07 0.000000000000000E+00
|
|
z1= 2 -0.615361908158315E-06 0.000000000000000E+00
|
|
z1= 3 -0.686683898181578E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133239643279604E+02 read= 0.126053087455716E+02)
|
|
Weight for this step= 0.49274E-01 0.13915E+01
|
|
|
|
Lanczos iteration: 453 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000453)= 0.000000
|
|
beta (00000453)= 12.605309
|
|
gamma(00000453)= 12.605309
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126053087455716E+02 read= 0.135205230423349E+02)
|
|
Weight for this step=-0.19996E-01 -0.60077E+00
|
|
|
|
Lanczos iteration: 454 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000454)= 0.000000
|
|
beta (00000454)= 13.520523
|
|
gamma(00000454)= 13.520523
|
|
z1= 1 -0.349258697053328E-07 0.000000000000000E+00
|
|
z1= 2 0.604114981973564E-06 0.000000000000000E+00
|
|
z1= 3 0.640201752556691E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135205230423349E+02 read= 0.125584771761988E+02)
|
|
Weight for this step=-0.46862E-01 -0.13264E+01
|
|
|
|
Lanczos iteration: 455 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000455)= 0.000000
|
|
beta (00000455)= 12.558477
|
|
gamma(00000455)= 12.558477
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125584771761988E+02 read= 0.137144544201282E+02)
|
|
Weight for this step= 0.19191E-01 0.57765E+00
|
|
|
|
Lanczos iteration: 456 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000456)= 0.000000
|
|
beta (00000456)= 13.714454
|
|
gamma(00000456)= 13.714454
|
|
z1= 1 0.338110966736352E-07 0.000000000000000E+00
|
|
z1= 2 -0.583922777305053E-06 0.000000000000000E+00
|
|
z1= 3 -0.586239805924500E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.137144544201282E+02 read= 0.125700472070785E+02)
|
|
Weight for this step= 0.43786E-01 0.12422E+01
|
|
|
|
Lanczos iteration: 457 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000457)= 0.000000
|
|
beta (00000457)= 12.570047
|
|
gamma(00000457)= 12.570047
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125700472070785E+02 read= 0.136828375832026E+02)
|
|
Weight for this step=-0.18757E-01 -0.56555E+00
|
|
|
|
Lanczos iteration: 458 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000458)= 0.000000
|
|
beta (00000458)= 13.682838
|
|
gamma(00000458)= 13.682838
|
|
z1= 1 -0.329280098681313E-07 0.000000000000000E+00
|
|
z1= 2 0.568719781544966E-06 0.000000000000000E+00
|
|
z1= 3 0.538562413700261E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136828375832026E+02 read= 0.127726175284351E+02)
|
|
Weight for this step=-0.41081E-01 -0.11682E+01
|
|
|
|
Lanczos iteration: 459 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000459)= 0.000000
|
|
beta (00000459)= 12.772618
|
|
gamma(00000459)= 12.772618
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127726175284351E+02 read= 0.134652022325044E+02)
|
|
Weight for this step= 0.18080E-01 0.54598E+00
|
|
|
|
Lanczos iteration: 460 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000460)= 0.000000
|
|
beta (00000460)= 13.465202
|
|
gamma(00000460)= 13.465202
|
|
z1= 1 0.332410492718833E-07 0.000000000000000E+00
|
|
z1= 2 -0.573024882733104E-06 0.000000000000000E+00
|
|
z1= 3 -0.510861374864065E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134652022325044E+02 read= 0.125822574108672E+02)
|
|
Weight for this step= 0.39806E-01 0.11347E+01
|
|
|
|
Lanczos iteration: 461 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000461)= 0.000000
|
|
beta (00000461)= 12.582257
|
|
gamma(00000461)= 12.582257
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125822574108672E+02 read= 0.135412085663425E+02)
|
|
Weight for this step=-0.17368E-01 -0.52526E+00
|
|
|
|
Lanczos iteration: 462 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000462)= 0.000000
|
|
beta (00000462)= 13.541209
|
|
gamma(00000462)= 13.541209
|
|
z1= 1 -0.330306183367822E-07 0.000000000000000E+00
|
|
z1= 2 0.566481996295491E-06 0.000000000000000E+00
|
|
z1= 3 0.474683577042414E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135412085663425E+02 read= 0.129565166555182E+02)
|
|
Weight for this step=-0.37788E-01 -0.10797E+01
|
|
|
|
Lanczos iteration: 463 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000463)= 0.000000
|
|
beta (00000463)= 12.956517
|
|
gamma(00000463)= 12.956517
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129565166555182E+02 read= 0.133022827479650E+02)
|
|
Weight for this step= 0.16326E-01 0.49441E+00
|
|
|
|
Lanczos iteration: 464 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000464)= 0.000000
|
|
beta (00000464)= 13.302283
|
|
gamma(00000464)= 13.302283
|
|
z1= 1 0.343142065243446E-07 0.000000000000000E+00
|
|
z1= 2 -0.586537354301420E-06 0.000000000000000E+00
|
|
z1= 3 -0.462345131923420E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133022827479650E+02 read= 0.127540052123794E+02)
|
|
Weight for this step= 0.37572E-01 0.10760E+01
|
|
|
|
Lanczos iteration: 465 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000465)= 0.000000
|
|
beta (00000465)= 12.754005
|
|
gamma(00000465)= 12.754005
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127540052123794E+02 read= 0.134248993737519E+02)
|
|
Weight for this step=-0.15183E-01 -0.46044E+00
|
|
|
|
Lanczos iteration: 466 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000466)= 0.000000
|
|
beta (00000466)= 13.424899
|
|
gamma(00000466)= 13.424899
|
|
z1= 1 -0.347314497887519E-07 0.000000000000000E+00
|
|
z1= 2 0.591582716106469E-06 0.000000000000000E+00
|
|
z1= 3 0.439239956911627E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134248993737519E+02 read= 0.129707470396996E+02)
|
|
Weight for this step=-0.36401E-01 -0.10447E+01
|
|
|
|
Lanczos iteration: 467 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000467)= 0.000000
|
|
beta (00000467)= 12.970747
|
|
gamma(00000467)= 12.970747
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.129707470396996E+02 read= 0.134997092185965E+02)
|
|
Weight for this step= 0.13958E-01 0.42383E+00
|
|
|
|
Lanczos iteration: 468 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000468)= 0.000000
|
|
beta (00000468)= 13.499709
|
|
gamma(00000468)= 13.499709
|
|
z1= 1 0.355186003101653E-07 0.000000000000000E+00
|
|
z1= 2 -0.602027633968510E-06 0.000000000000000E+00
|
|
z1= 3 -0.422029117702095E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134997092185965E+02 read= 0.128008475458115E+02)
|
|
Weight for this step= 0.35620E-01 0.10243E+01
|
|
|
|
Lanczos iteration: 469 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000469)= 0.000000
|
|
beta (00000469)= 12.800848
|
|
gamma(00000469)= 12.800848
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128008475458115E+02 read= 0.136522905767424E+02)
|
|
Weight for this step=-0.12979E-01 -0.39459E+00
|
|
|
|
Lanczos iteration: 470 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000470)= 0.000000
|
|
beta (00000470)= 13.652291
|
|
gamma(00000470)= 13.652291
|
|
z1= 1 -0.354352128237420E-07 0.000000000000000E+00
|
|
z1= 2 0.597875222792103E-06 0.000000000000000E+00
|
|
z1= 3 0.395708717538645E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136522905767424E+02 read= 0.126518282493262E+02)
|
|
Weight for this step=-0.33992E-01 -0.97932E+00
|
|
|
|
Lanczos iteration: 471 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000471)= 0.000000
|
|
beta (00000471)= 12.651828
|
|
gamma(00000471)= 12.651828
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126518282493262E+02 read= 0.133890857154509E+02)
|
|
Weight for this step= 0.12324E-01 0.37512E+00
|
|
|
|
Lanczos iteration: 472 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000472)= 0.000000
|
|
beta (00000472)= 13.389086
|
|
gamma(00000472)= 13.389086
|
|
z1= 1 0.356997306367231E-07 0.000000000000000E+00
|
|
z1= 2 -0.599852526304324E-06 0.000000000000000E+00
|
|
z1= 3 -0.373919387584593E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133890857154509E+02 read= 0.126707505567581E+02)
|
|
Weight for this step= 0.32695E-01 0.94373E+00
|
|
|
|
Lanczos iteration: 473 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000473)= 0.000000
|
|
beta (00000473)= 12.670751
|
|
gamma(00000473)= 12.670751
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126707505567581E+02 read= 0.135420895652011E+02)
|
|
Weight for this step=-0.11408E-01 -0.34763E+00
|
|
|
|
Lanczos iteration: 474 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000474)= 0.000000
|
|
beta (00000474)= 13.542090
|
|
gamma(00000474)= 13.542090
|
|
z1= 1 -0.355994450862971E-07 0.000000000000000E+00
|
|
z1= 2 0.595852074246491E-06 0.000000000000000E+00
|
|
z1= 3 0.349860283051923E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135420895652011E+02 read= 0.126161385866041E+02)
|
|
Weight for this step=-0.31117E-01 -0.89981E+00
|
|
|
|
Lanczos iteration: 475 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000475)= 0.000000
|
|
beta (00000475)= 12.616139
|
|
gamma(00000475)= 12.616139
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126161385866041E+02 read= 0.133359917140514E+02)
|
|
Weight for this step= 0.10702E-01 0.32646E+00
|
|
|
|
Lanczos iteration: 476 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000476)= 0.000000
|
|
beta (00000476)= 13.335992
|
|
gamma(00000476)= 13.335992
|
|
z1= 1 0.359276035778885E-07 0.000000000000000E+00
|
|
z1= 2 -0.599456727932708E-06 0.000000000000000E+00
|
|
z1= 3 -0.330975446863595E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133359917140514E+02 read= 0.126374438949913E+02)
|
|
Weight for this step= 0.29938E-01 0.86727E+00
|
|
|
|
Lanczos iteration: 477 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000477)= 0.000000
|
|
beta (00000477)= 12.637444
|
|
gamma(00000477)= 12.637444
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126374438949913E+02 read= 0.133207084692008E+02)
|
|
Weight for this step=-0.98116E-02 -0.29957E+00
|
|
|
|
Lanczos iteration: 478 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000478)= 0.000000
|
|
beta (00000478)= 13.320708
|
|
gamma(00000478)= 13.320708
|
|
z1= 1 -0.363860946051779E-07 0.000000000000000E+00
|
|
z1= 2 0.605233423316197E-06 0.000000000000000E+00
|
|
z1= 3 0.313998587240117E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133207084692008E+02 read= 0.126761045694551E+02)
|
|
Weight for this step=-0.28862E-01 -0.83751E+00
|
|
|
|
Lanczos iteration: 479 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000479)= 0.000000
|
|
beta (00000479)= 12.676105
|
|
gamma(00000479)= 12.676105
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126761045694551E+02 read= 0.133734531831487E+02)
|
|
Weight for this step= 0.88862E-02 0.27156E+00
|
|
|
|
Lanczos iteration: 480 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000480)= 0.000000
|
|
beta (00000480)= 13.373453
|
|
gamma(00000480)= 13.373453
|
|
z1= 1 0.367886712639544E-07 0.000000000000000E+00
|
|
z1= 2 -0.610418080335538E-06 0.000000000000000E+00
|
|
z1= 3 -0.297625368106229E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133734531831487E+02 read= 0.127109202900144E+02)
|
|
Weight for this step= 0.27772E-01 0.80713E+00
|
|
|
|
Lanczos iteration: 481 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000481)= 0.000000
|
|
beta (00000481)= 12.710920
|
|
gamma(00000481)= 12.710920
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127109202900144E+02 read= 0.134445816350945E+02)
|
|
Weight for this step=-0.79827E-02 -0.24414E+00
|
|
|
|
Lanczos iteration: 482 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000482)= 0.000000
|
|
beta (00000482)= 13.444582
|
|
gamma(00000482)= 13.444582
|
|
z1= 1 -0.371056511758638E-07 0.000000000000000E+00
|
|
z1= 2 0.614256654939575E-06 0.000000000000000E+00
|
|
z1= 3 0.281384161513821E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134445816350945E+02 read= 0.128241335601170E+02)
|
|
Weight for this step=-0.26627E-01 -0.77497E+00
|
|
|
|
Lanczos iteration: 483 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000483)= 0.000000
|
|
beta (00000483)= 12.824134
|
|
gamma(00000483)= 12.824134
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.128241335601170E+02 read= 0.135896229573556E+02)
|
|
Weight for this step= 0.70702E-02 0.21640E+00
|
|
|
|
Lanczos iteration: 484 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000484)= 0.000000
|
|
beta (00000484)= 13.589623
|
|
gamma(00000484)= 13.589623
|
|
z1= 1 0.373127905767918E-07 0.000000000000000E+00
|
|
z1= 2 -0.616774565747257E-06 0.000000000000000E+00
|
|
z1= 3 -0.265534082900072E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.135896229573556E+02 read= 0.125292735930712E+02)
|
|
Weight for this step= 0.25451E-01 0.74174E+00
|
|
|
|
Lanczos iteration: 485 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000485)= 0.000000
|
|
beta (00000485)= 12.529274
|
|
gamma(00000485)= 12.529274
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125292735930712E+02 read= 0.132017067913398E+02)
|
|
Weight for this step=-0.63980E-02 -0.19595E+00
|
|
|
|
Lanczos iteration: 486 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000486)= 0.000000
|
|
beta (00000486)= 13.201707
|
|
gamma(00000486)= 13.201707
|
|
z1= 1 -0.378108443595780E-07 0.000000000000000E+00
|
|
z1= 2 0.625320467238712E-06 0.000000000000000E+00
|
|
z1= 3 0.252009018645184E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132017067913398E+02 read= 0.125190716346540E+02)
|
|
Weight for this step=-0.24457E-01 -0.71368E+00
|
|
|
|
Lanczos iteration: 487 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000487)= 0.000000
|
|
beta (00000487)= 12.519072
|
|
gamma(00000487)= 12.519072
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125190716346540E+02 read= 0.136058042403850E+02)
|
|
Weight for this step= 0.55250E-02 0.16932E+00
|
|
|
|
Lanczos iteration: 488 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000488)= 0.000000
|
|
beta (00000488)= 13.605804
|
|
gamma(00000488)= 13.605804
|
|
z1= 1 0.371595696198736E-07 0.000000000000000E+00
|
|
z1= 2 -0.615181334319339E-06 0.000000000000000E+00
|
|
z1= 3 -0.231880372613498E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136058042403850E+02 read= 0.126614778706135E+02)
|
|
Weight for this step= 0.22757E-01 0.66482E+00
|
|
|
|
Lanczos iteration: 489 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000489)= 0.000000
|
|
beta (00000489)= 12.661478
|
|
gamma(00000489)= 12.661478
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126614778706135E+02 read= 0.132588306654723E+02)
|
|
Weight for this step=-0.48131E-02 -0.14758E+00
|
|
|
|
Lanczos iteration: 490 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000490)= 0.000000
|
|
beta (00000490)= 13.258831
|
|
gamma(00000490)= 13.258831
|
|
z1= 1 -0.380483197839399E-07 0.000000000000000E+00
|
|
z1= 2 0.629969922107403E-06 0.000000000000000E+00
|
|
z1= 3 0.221433419019023E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132588306654723E+02 read= 0.126731204499116E+02)
|
|
Weight for this step=-0.21959E-01 -0.64216E+00
|
|
|
|
Lanczos iteration: 491 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000491)= 0.000000
|
|
beta (00000491)= 12.673120
|
|
gamma(00000491)= 12.673120
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126731204499116E+02 read= 0.134780080551266E+02)
|
|
Weight for this step= 0.39520E-02 0.12122E+00
|
|
|
|
Lanczos iteration: 492 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000492)= 0.000000
|
|
beta (00000492)= 13.478008
|
|
gamma(00000492)= 13.478008
|
|
z1= 1 0.383538264161121E-07 0.000000000000000E+00
|
|
z1= 2 -0.634697903080170E-06 0.000000000000000E+00
|
|
z1= 3 -0.208209727976284E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.134780080551266E+02 read= 0.126584947115721E+02)
|
|
Weight for this step= 0.20830E-01 0.60969E+00
|
|
|
|
Lanczos iteration: 493 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000493)= 0.000000
|
|
beta (00000493)= 12.658495
|
|
gamma(00000493)= 12.658495
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126584947115721E+02 read= 0.132004924839690E+02)
|
|
Weight for this step=-0.31788E-02 -0.97543E-01
|
|
|
|
Lanczos iteration: 494 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000494)= 0.000000
|
|
beta (00000494)= 13.200492
|
|
gamma(00000494)= 13.200492
|
|
z1= 1 -0.395121723095998E-07 0.000000000000000E+00
|
|
z1= 2 0.653147426938152E-06 0.000000000000000E+00
|
|
z1= 3 0.199660864442282E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.132004924839690E+02 read= 0.125805512324195E+02)
|
|
Weight for this step=-0.20125E-01 -0.58950E+00
|
|
|
|
Lanczos iteration: 495 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000495)= 0.000000
|
|
beta (00000495)= 12.580551
|
|
gamma(00000495)= 12.580551
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.125805512324195E+02 read= 0.136146171467439E+02)
|
|
Weight for this step= 0.23351E-02 0.71675E-01
|
|
|
|
Lanczos iteration: 496 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000496)= 0.000000
|
|
beta (00000496)= 13.614617
|
|
gamma(00000496)= 13.614617
|
|
z1= 1 0.392310610366684E-07 0.000000000000000E+00
|
|
z1= 2 -0.647202831813081E-06 0.000000000000000E+00
|
|
z1= 3 -0.184496097616667E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.136146171467439E+02 read= 0.126903507986060E+02)
|
|
Weight for this step= 0.18704E-01 0.54817E+00
|
|
|
|
Lanczos iteration: 497 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000497)= 0.000000
|
|
beta (00000497)= 12.690351
|
|
gamma(00000497)= 12.690351
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.126903507986060E+02 read= 0.133486789390434E+02)
|
|
Weight for this step=-0.15836E-02 -0.48617E-01
|
|
|
|
Lanczos iteration: 498 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000498)= 0.000000
|
|
beta (00000498)= 13.348679
|
|
gamma(00000498)= 13.348679
|
|
z1= 1 -0.402083815509262E-07 0.000000000000000E+00
|
|
z1= 2 0.661560680130361E-06 0.000000000000000E+00
|
|
z1= 3 0.175397146813961E-05 0.000000000000000E+00
|
|
Calculating total response charge density
|
|
(calc= 0.133486789390434E+02 read= 0.127117098197668E+02)
|
|
Weight for this step=-0.17855E-01 -0.52352E+00
|
|
|
|
Lanczos iteration: 499 Pol:3
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000499)= 0.000000
|
|
beta (00000499)= 12.711710
|
|
gamma(00000499)= 12.711710
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 2 0.000000000000000E+00 0.000000000000000E+00
|
|
z1= 3 0.000000000000000E+00 0.000000000000000E+00
|
|
(calc= 0.127117098197668E+02 read= 0.134628595018086E+02)
|
|
Weight for this step= 0.78469E-03 0.24093E-01
|
|
|
|
Lanczos iteration: 500 Pol:3
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000500)= 0.000000
|
|
beta (00000500)= 13.462860
|
|
gamma(00000500)= 13.462860
|
|
z1= 1 0.409031466565616E-07 0.000000000000000E+00
|
|
z1= 2 -0.671522461398195E-06 0.000000000000000E+00
|
|
z1= 3 -0.165611000628842E-05 0.000000000000000E+00
|
|
(calc= 0.134628595018086E+02 read= 0.134628595018086E+02)
|
|
Weight for this step= 0.16895E-01 0.49548E+00
|
|
|
|
Writing Cube file for response charge density
|
|
|
|
Writing Cube file for response charge density
|
|
End of Lanczos iterations
|
|
Finished linear response calculation...
|
|
|
|
lr_main : 43.56s CPU 47.45s WALL ( 1 calls)
|
|
read_wf : 0.01s CPU 0.01s WALL ( 1 calls)
|
|
lr_solve_e : 0.39s CPU 0.39s WALL ( 1 calls)
|
|
one_step : 40.63s CPU 43.60s WALL ( 1500 calls)
|
|
|
|
lr_apply : 35.20s CPU 36.84s WALL ( 1500 calls)
|
|
lr_apply_int : 27.62s CPU 29.23s WALL ( 750 calls)
|
|
lr_apply_no : 7.57s CPU 7.61s WALL ( 750 calls)
|
|
|
|
h_psi : 13.79s CPU 13.88s WALL ( 1542 calls)
|
|
lr_calc_dens : 10.31s CPU 11.97s WALL ( 1500 calls)
|
|
lr_dvpsi_e : 0.39s CPU 0.39s WALL ( 3 calls)
|
|
lr_dv_setup : 0.01s CPU 0.01s WALL ( 1 calls)
|
|
dv_of_drho : 8.73s CPU 9.70s WALL ( 750 calls)
|
|
interaction : 5.09s CPU 5.17s WALL ( 750 calls)
|
|
lr_dot : 0.15s CPU 0.19s WALL ( 3750 calls)
|
|
ortho : 1.07s CPU 0.99s WALL ( 1506 calls)
|
|
|
|
|
|
US routines
|
|
lr_sm1_psi : 0.01s CPU 0.04s WALL ( 1500 calls)
|
|
|
|
General routines
|
|
calbec : 0.16s CPU 0.15s WALL ( 1590 calls)
|
|
fft : 7.12s CPU 8.08s WALL ( 1504 calls)
|
|
fftw : 20.05s CPU 21.33s WALL ( 10664 calls)
|
|
interpolate : 0.10s CPU 0.09s WALL ( 750 calls)
|
|
davcio : 0.01s CPU 0.02s WALL ( 59 calls)
|
|
|
|
Parallel routines
|
|
|
|
post-process : 2.33s CPU 3.20s WALL ( 12 calls)
|
|
|
|
turboTDDFT : 43.56s CPU 47.48s WALL
|
|
|
|
|
|
This run was terminated on: 17:39: 1 5Sep2018
|
|
|
|
=------------------------------------------------------------------------------=
|
|
JOB DONE.
|
|
=------------------------------------------------------------------------------=
|