mirror of https://gitlab.com/QEF/q-e.git
1502 lines
53 KiB
Plaintext
1502 lines
53 KiB
Plaintext
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Program turboTDDFT v.6.0 (svn rev. 13233) starts on 10Jan2017 at 14: 4:53
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This program is part of the open-source Quantum ESPRESSO suite
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for quantum simulation of materials; please cite
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"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
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URL http://www.quantum-espresso.org",
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in publications or presentations arising from this work. More details at
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http://www.quantum-espresso.org/quote
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Parallel version (MPI), running on 1 processors
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Reading data from directory:
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./out/CH4.save
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Info: using nr1, nr2, nr3 values from input
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Info: using nr1, nr2, nr3 values from input
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0 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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G-vector sticks info
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--------------------
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sticks: dense smooth PW G-vecs: dense smooth PW
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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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=-----------------------------------------------------------------=
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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 = 200
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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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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 0.738917499510826E+00 0.000000000000000E+00
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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)= 9.321383
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gamma(00000003)= 9.321383
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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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)= 14.407582
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gamma(00000004)= 14.407582
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z1= 1 -0.478063064143732E+00 0.000000000000000E+00
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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)= 12.161297
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gamma(00000005)= 12.161297
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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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)= 13.978091
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gamma(00000006)= 13.978091
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z1= 1 0.415927088372793E+00 0.000000000000000E+00
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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)= 12.487760
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gamma(00000007)= 12.487760
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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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)= 13.652789
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gamma(00000008)= 13.652789
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z1= 1 -0.380434915734428E+00 0.000000000000000E+00
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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)= 12.678679
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gamma(00000009)= 12.678679
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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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)= 13.531106
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gamma(00000010)= 13.531106
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z1= 1 0.356468438747052E+00 0.000000000000000E+00
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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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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)= 13.512871
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gamma(00000012)= 13.512871
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z1= 1 -0.336788968809084E+00 0.000000000000000E+00
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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)= 12.783646
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gamma(00000013)= 12.783646
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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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)= 13.518564
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gamma(00000014)= 13.518564
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z1= 1 0.318479898257901E+00 0.000000000000000E+00
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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)= 12.764479
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gamma(00000015)= 12.764479
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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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)= 13.501488
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gamma(00000016)= 13.501488
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z1= 1 -0.301094958436096E+00 0.000000000000000E+00
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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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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)= 13.471373
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gamma(00000018)= 13.471373
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z1= 1 0.284665756902631E+00 0.000000000000000E+00
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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)= 12.731717
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gamma(00000019)= 12.731717
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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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)= 13.460816
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gamma(00000020)= 13.460816
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z1= 1 -0.269246970168373E+00 0.000000000000000E+00
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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)= 12.758899
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gamma(00000021)= 12.758899
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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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)= 13.465819
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gamma(00000022)= 13.465819
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z1= 1 0.255112220726852E+00 0.000000000000000E+00
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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)= 12.788015
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gamma(00000023)= 12.788015
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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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)= 13.467978
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gamma(00000024)= 13.467978
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z1= 1 -0.242232285368375E+00 0.000000000000000E+00
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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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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)= 13.459850
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gamma(00000026)= 13.459850
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z1= 1 0.230499573810379E+00 0.000000000000000E+00
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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)= 12.791237
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gamma(00000027)= 12.791237
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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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)= 13.416117
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gamma(00000028)= 13.416117
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z1= 1 -0.219763642475186E+00 0.000000000000000E+00
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Lanczos iteration: 29 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000029)= 0.000000
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beta (00000029)= 12.772136
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gamma(00000029)= 12.772136
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 30 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000030)= 0.000000
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beta (00000030)= 13.434637
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gamma(00000030)= 13.434637
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z1= 1 0.208926461456051E+00 0.000000000000000E+00
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Lanczos iteration: 31 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000031)= 0.000000
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beta (00000031)= 12.808926
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gamma(00000031)= 12.808926
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 32 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000032)= 0.000000
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beta (00000032)= 13.418606
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gamma(00000032)= 13.418606
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z1= 1 -0.199433789733760E+00 0.000000000000000E+00
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Lanczos iteration: 33 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000033)= 0.000000
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beta (00000033)= 12.740657
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gamma(00000033)= 12.740657
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 34 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000034)= 0.000000
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beta (00000034)= 13.378160
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gamma(00000034)= 13.378160
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z1= 1 0.189930278765764E+00 0.000000000000000E+00
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Lanczos iteration: 35 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000035)= 0.000000
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beta (00000035)= 12.788279
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gamma(00000035)= 12.788279
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 36 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000036)= 0.000000
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beta (00000036)= 13.442102
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gamma(00000036)= 13.442102
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z1= 1 -0.180692090873971E+00 0.000000000000000E+00
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Lanczos iteration: 37 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000037)= 0.000000
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beta (00000037)= 12.782584
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gamma(00000037)= 12.782584
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 38 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000038)= 0.000000
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beta (00000038)= 13.387138
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gamma(00000038)= 13.387138
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z1= 1 0.172532157276393E+00 0.000000000000000E+00
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Lanczos iteration: 39 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000039)= 0.000000
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beta (00000039)= 12.737312
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gamma(00000039)= 12.737312
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 40 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000040)= 0.000000
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beta (00000040)= 13.333456
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gamma(00000040)= 13.333456
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z1= 1 -0.164818169396649E+00 0.000000000000000E+00
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Lanczos iteration: 41 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000041)= 0.000000
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beta (00000041)= 12.689640
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gamma(00000041)= 12.689640
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 42 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000042)= 0.000000
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beta (00000042)= 13.357610
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gamma(00000042)= 13.357610
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z1= 1 0.156576157718806E+00 0.000000000000000E+00
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Lanczos iteration: 43 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000043)= 0.000000
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beta (00000043)= 12.751961
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gamma(00000043)= 12.751961
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 44 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000044)= 0.000000
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beta (00000044)= 13.375440
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gamma(00000044)= 13.375440
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z1= 1 -0.149277556387439E+00 0.000000000000000E+00
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Lanczos iteration: 45 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000045)= 0.000000
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beta (00000045)= 12.776255
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gamma(00000045)= 12.776255
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 46 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000046)= 0.000000
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beta (00000046)= 13.408426
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gamma(00000046)= 13.408426
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z1= 1 0.142239522399042E+00 0.000000000000000E+00
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Lanczos iteration: 47 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000047)= 0.000000
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beta (00000047)= 12.735755
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gamma(00000047)= 12.735755
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 48 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000048)= 0.000000
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beta (00000048)= 13.409555
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gamma(00000048)= 13.409555
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z1= 1 -0.135092305540742E+00 0.000000000000000E+00
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Lanczos iteration: 49 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000049)= 0.000000
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beta (00000049)= 12.852003
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gamma(00000049)= 12.852003
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 50 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000050)= 0.000000
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beta (00000050)= 13.372039
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gamma(00000050)= 13.372039
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z1= 1 0.129838594086191E+00 0.000000000000000E+00
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Lanczos iteration: 51 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000051)= 0.000000
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beta (00000051)= 12.661146
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gamma(00000051)= 12.661146
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 52 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000052)= 0.000000
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beta (00000052)= 13.332123
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gamma(00000052)= 13.332123
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z1= 1 -0.123304101384984E+00 0.000000000000000E+00
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Lanczos iteration: 53 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000053)= 0.000000
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beta (00000053)= 12.722819
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gamma(00000053)= 12.722819
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 54 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000054)= 0.000000
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beta (00000054)= 13.331134
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gamma(00000054)= 13.331134
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z1= 1 0.117677599563210E+00 0.000000000000000E+00
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Lanczos iteration: 55 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000055)= 0.000000
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beta (00000055)= 12.758280
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gamma(00000055)= 12.758280
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 56 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000056)= 0.000000
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beta (00000056)= 13.406041
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gamma(00000056)= 13.406041
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z1= 1 -0.111991580104229E+00 0.000000000000000E+00
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Lanczos iteration: 57 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000057)= 0.000000
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beta (00000057)= 12.847355
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gamma(00000057)= 12.847355
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 58 Pol:1
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lr_apply_liouvillian: applying interaction: normal
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alpha(00000058)= 0.000000
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beta (00000058)= 13.403910
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gamma(00000058)= 13.403910
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z1= 1 0.107341486202158E+00 0.000000000000000E+00
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Lanczos iteration: 59 Pol:1
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lr_apply_liouvillian: not applying interaction
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alpha(00000059)= 0.000000
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beta (00000059)= 12.708513
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gamma(00000059)= 12.708513
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z1= 1 0.000000000000000E+00 0.000000000000000E+00
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Lanczos iteration: 60 Pol:1
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lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000060)= 0.000000
|
|
beta (00000060)= 13.405991
|
|
gamma(00000060)= 13.405991
|
|
z1= 1 -0.101756800797855E+00 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
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 0.973145865550629E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 63 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 64 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000064)= 0.000000
|
|
beta (00000064)= 13.420562
|
|
gamma(00000064)= 13.420562
|
|
z1= 1 -0.933072841544093E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 66 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000066)= 0.000000
|
|
beta (00000066)= 13.489529
|
|
gamma(00000066)= 13.489529
|
|
z1= 1 0.888970337640164E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 68 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000068)= 0.000000
|
|
beta (00000068)= 13.405776
|
|
gamma(00000068)= 13.405776
|
|
z1= 1 -0.849279598291200E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 70 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000070)= 0.000000
|
|
beta (00000070)= 13.362485
|
|
gamma(00000070)= 13.362485
|
|
z1= 1 0.812476938127137E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 71 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 72 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000072)= 0.000000
|
|
beta (00000072)= 13.433636
|
|
gamma(00000072)= 13.433636
|
|
z1= 1 -0.775012857536456E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 74 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000074)= 0.000000
|
|
beta (00000074)= 13.276626
|
|
gamma(00000074)= 13.276626
|
|
z1= 1 0.748191572840363E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 75 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 76 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000076)= 0.000000
|
|
beta (00000076)= 13.375875
|
|
gamma(00000076)= 13.375875
|
|
z1= 1 -0.714342561681716E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 77 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000077)= 0.000000
|
|
beta (00000077)= 12.758988
|
|
gamma(00000077)= 12.758988
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 78 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000078)= 0.000000
|
|
beta (00000078)= 13.416389
|
|
gamma(00000078)= 13.416389
|
|
z1= 1 0.679339927864220E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 80 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000080)= 0.000000
|
|
beta (00000080)= 13.342738
|
|
gamma(00000080)= 13.342738
|
|
z1= 1 -0.650539170746548E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
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 0.621249509073480E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 83 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 84 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000084)= 0.000000
|
|
beta (00000084)= 13.374825
|
|
gamma(00000084)= 13.374825
|
|
z1= 1 -0.595345449523133E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 86 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000086)= 0.000000
|
|
beta (00000086)= 13.311274
|
|
gamma(00000086)= 13.311274
|
|
z1= 1 0.571897041991905E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 87 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 88 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000088)= 0.000000
|
|
beta (00000088)= 13.407424
|
|
gamma(00000088)= 13.407424
|
|
z1= 1 -0.544053244682876E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 90 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000090)= 0.000000
|
|
beta (00000090)= 13.284695
|
|
gamma(00000090)= 13.284695
|
|
z1= 1 0.528283231392450E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 91 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 92 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000092)= 0.000000
|
|
beta (00000092)= 13.371965
|
|
gamma(00000092)= 13.371965
|
|
z1= 1 -0.502007410897155E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 94 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000094)= 0.000000
|
|
beta (00000094)= 13.350896
|
|
gamma(00000094)= 13.350896
|
|
z1= 1 0.480229575373105E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 95 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 96 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000096)= 0.000000
|
|
beta (00000096)= 13.382100
|
|
gamma(00000096)= 13.382100
|
|
z1= 1 -0.459527088404032E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 97 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 98 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000098)= 0.000000
|
|
beta (00000098)= 13.524322
|
|
gamma(00000098)= 13.524322
|
|
z1= 1 0.435547481219954E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 99 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 100 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000100)= 0.000000
|
|
beta (00000100)= 13.508630
|
|
gamma(00000100)= 13.508630
|
|
z1= 1 -0.421079713573946E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 102 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000102)= 0.000000
|
|
beta (00000102)= 13.388771
|
|
gamma(00000102)= 13.388771
|
|
z1= 1 0.399274895815494E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 103 Pol:1
|
|
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
|
|
|
|
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 -0.382574909164061E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 106 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000106)= 0.000000
|
|
beta (00000106)= 13.221967
|
|
gamma(00000106)= 13.221967
|
|
z1= 1 0.370667719065905E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 107 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000107)= 0.000000
|
|
beta (00000107)= 12.739932
|
|
gamma(00000107)= 12.739932
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
|
|
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 -0.353091370077832E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 110 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000110)= 0.000000
|
|
beta (00000110)= 13.236894
|
|
gamma(00000110)= 13.236894
|
|
z1= 1 0.342512444600422E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 111 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 112 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000112)= 0.000000
|
|
beta (00000112)= 13.564474
|
|
gamma(00000112)= 13.564474
|
|
z1= 1 -0.324063626676332E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 114 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000114)= 0.000000
|
|
beta (00000114)= 13.308416
|
|
gamma(00000114)= 13.308416
|
|
z1= 1 0.315253693258521E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 115 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000115)= 0.000000
|
|
beta (00000115)= 12.823355
|
|
gamma(00000115)= 12.823355
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 116 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000116)= 0.000000
|
|
beta (00000116)= 13.444017
|
|
gamma(00000116)= 13.444017
|
|
z1= 1 -0.300699572075104E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 118 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000118)= 0.000000
|
|
beta (00000118)= 13.335835
|
|
gamma(00000118)= 13.335835
|
|
z1= 1 0.284574628280142E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 119 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 120 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000120)= 0.000000
|
|
beta (00000120)= 13.202717
|
|
gamma(00000120)= 13.202717
|
|
z1= 1 -0.275684422458134E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 122 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000122)= 0.000000
|
|
beta (00000122)= 13.255860
|
|
gamma(00000122)= 13.255860
|
|
z1= 1 0.260655263362680E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 123 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000123)= 0.000000
|
|
beta (00000123)= 12.762518
|
|
gamma(00000123)= 12.762518
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 124 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000124)= 0.000000
|
|
beta (00000124)= 13.343043
|
|
gamma(00000124)= 13.343043
|
|
z1= 1 -0.249314767182802E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 126 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000126)= 0.000000
|
|
beta (00000126)= 13.448554
|
|
gamma(00000126)= 13.448554
|
|
z1= 1 0.235379017698555E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 127 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000127)= 0.000000
|
|
beta (00000127)= 12.706993
|
|
gamma(00000127)= 12.706993
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
|
|
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 -0.224163363748700E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 129 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 130 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000130)= 0.000000
|
|
beta (00000130)= 13.329034
|
|
gamma(00000130)= 13.329034
|
|
z1= 1 0.214100734822483E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 131 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 132 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000132)= 0.000000
|
|
beta (00000132)= 13.181693
|
|
gamma(00000132)= 13.181693
|
|
z1= 1 -0.205470778420223E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
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 0.197891525095285E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 135 Pol:1
|
|
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
|
|
|
|
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 -0.188004243594491E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 137 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 138 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000138)= 0.000000
|
|
beta (00000138)= 13.406408
|
|
gamma(00000138)= 13.406408
|
|
z1= 1 0.180318164410805E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
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 -0.175814113170204E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 141 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000141)= 0.000000
|
|
beta (00000141)= 12.827424
|
|
gamma(00000141)= 12.827424
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
|
|
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 0.167943913952968E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 144 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000144)= 0.000000
|
|
beta (00000144)= 13.524438
|
|
gamma(00000144)= 13.524438
|
|
z1= 1 -0.158248034935927E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
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 0.152616515994966E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 147 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000147)= 0.000000
|
|
beta (00000147)= 13.002924
|
|
gamma(00000147)= 13.002924
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 148 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000148)= 0.000000
|
|
beta (00000148)= 13.454132
|
|
gamma(00000148)= 13.454132
|
|
z1= 1 -0.147498258309245E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 149 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 150 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000150)= 0.000000
|
|
beta (00000150)= 13.439910
|
|
gamma(00000150)= 13.439910
|
|
z1= 1 0.140754811028025E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 152 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000152)= 0.000000
|
|
beta (00000152)= 13.416055
|
|
gamma(00000152)= 13.416055
|
|
z1= 1 -0.133530084776585E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 154 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000154)= 0.000000
|
|
beta (00000154)= 13.472336
|
|
gamma(00000154)= 13.472336
|
|
z1= 1 0.123653709216691E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 155 Pol:1
|
|
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
|
|
|
|
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 -0.117641531799191E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 158 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000158)= 0.000000
|
|
beta (00000158)= 13.470125
|
|
gamma(00000158)= 13.470125
|
|
z1= 1 0.112367512202217E-01 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 160 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000160)= 0.000000
|
|
beta (00000160)= 13.251706
|
|
gamma(00000160)= 13.251706
|
|
z1= 1 -0.107060076671296E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 161 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000161)= 0.000000
|
|
beta (00000161)= 12.558553
|
|
gamma(00000161)= 12.558553
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
|
|
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 0.100264939076097E-01 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 163 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 164 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000164)= 0.000000
|
|
beta (00000164)= 13.170492
|
|
gamma(00000164)= 13.170492
|
|
z1= 1 -0.961523693459783E-02 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 166 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000166)= 0.000000
|
|
beta (00000166)= 13.414611
|
|
gamma(00000166)= 13.414611
|
|
z1= 1 0.911990829014922E-02 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 167 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 168 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000168)= 0.000000
|
|
beta (00000168)= 13.478487
|
|
gamma(00000168)= 13.478487
|
|
z1= 1 -0.861761166906630E-02 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 169 Pol:1
|
|
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
|
|
|
|
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 0.817583191484974E-02 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
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 -0.778554922350273E-02 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
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 0.741106147089064E-02 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 176 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000176)= 0.000000
|
|
beta (00000176)= 13.359969
|
|
gamma(00000176)= 13.359969
|
|
z1= 1 -0.710268923116240E-02 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 178 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000178)= 0.000000
|
|
beta (00000178)= 13.288659
|
|
gamma(00000178)= 13.288659
|
|
z1= 1 0.681745864014097E-02 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 180 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000180)= 0.000000
|
|
beta (00000180)= 13.437815
|
|
gamma(00000180)= 13.437815
|
|
z1= 1 -0.643824437431564E-02 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 181 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 182 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000182)= 0.000000
|
|
beta (00000182)= 13.469648
|
|
gamma(00000182)= 13.469648
|
|
z1= 1 0.609796170709154E-02 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
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 -0.575675192284361E-02 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 186 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000186)= 0.000000
|
|
beta (00000186)= 13.292528
|
|
gamma(00000186)= 13.292528
|
|
z1= 1 0.554057171764938E-02 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 187 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000187)= 0.000000
|
|
beta (00000187)= 12.797111
|
|
gamma(00000187)= 12.797111
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
|
|
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 -0.525913363089187E-02 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 189 Pol:1
|
|
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
|
|
|
|
Lanczos iteration: 190 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000190)= 0.000000
|
|
beta (00000190)= 13.608469
|
|
gamma(00000190)= 13.608469
|
|
z1= 1 0.505009089829366E-02 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 192 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000192)= 0.000000
|
|
beta (00000192)= 13.459684
|
|
gamma(00000192)= 13.459684
|
|
z1= 1 -0.480420280355465E-02 0.000000000000000E+00
|
|
|
|
Lanczos iteration: 193 Pol:1
|
|
lr_apply_liouvillian: not applying interaction
|
|
alpha(00000193)= 0.000000
|
|
beta (00000193)= 12.669402
|
|
gamma(00000193)= 12.669402
|
|
z1= 1 0.000000000000000E+00 0.000000000000000E+00
|
|
|
|
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 0.460891021709486E-02 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
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 -0.445979277623444E-02 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 198 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000198)= 0.000000
|
|
beta (00000198)= 13.480535
|
|
gamma(00000198)= 13.480535
|
|
z1= 1 0.425631079256271E-02 0.000000000000000E+00
|
|
|
|
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
|
|
|
|
Lanczos iteration: 200 Pol:1
|
|
lr_apply_liouvillian: applying interaction: normal
|
|
alpha(00000200)= 0.000000
|
|
beta (00000200)= 13.432538
|
|
gamma(00000200)= 13.432538
|
|
z1= 1 -0.403431024675000E-02 0.000000000000000E+00
|
|
End of Lanczos iterations
|
|
Finished linear response calculation...
|
|
|
|
lr_main : 84.14s CPU 37.89s WALL ( 1 calls)
|
|
read_wf : 0.07s CPU 0.04s WALL ( 1 calls)
|
|
lr_solve_e : 3.50s CPU 1.56s WALL ( 1 calls)
|
|
one_step : 78.16s CPU 34.55s WALL ( 200 calls)
|
|
|
|
lr_apply : 76.75s CPU 34.05s WALL ( 200 calls)
|
|
lr_apply_int : 52.95s CPU 24.60s WALL ( 100 calls)
|
|
lr_apply_no : 23.80s CPU 9.45s WALL ( 100 calls)
|
|
|
|
h_psi : 39.04s CPU 16.96s WALL ( 214 calls)
|
|
lr_calc_dens : 13.94s CPU 5.37s WALL ( 100 calls)
|
|
lr_dvpsi_e : 3.44s CPU 1.52s WALL ( 1 calls)
|
|
lr_dv_setup : 0.28s CPU 0.13s WALL ( 1 calls)
|
|
dv_of_drho : 16.53s CPU 8.15s WALL ( 100 calls)
|
|
interaction : 6.86s CPU 3.50s WALL ( 100 calls)
|
|
lr_dot : 0.18s CPU 0.05s WALL ( 300 calls)
|
|
ortho : 0.77s CPU 0.24s WALL ( 202 calls)
|
|
|
|
|
|
US routines
|
|
lr_sm1_psi : 0.10s CPU 0.04s WALL ( 200 calls)
|
|
|
|
General routines
|
|
calbec : 0.14s CPU 0.06s WALL ( 230 calls)
|
|
fft : 13.56s CPU 6.74s WALL ( 203 calls)
|
|
fftw : 52.12s CPU 22.45s WALL ( 1256 calls)
|
|
interpolate : 0.18s CPU 0.08s WALL ( 100 calls)
|
|
davcio : 0.29s CPU 0.19s WALL ( 11 calls)
|
|
|
|
Parallel routines
|
|
fft_scatter : 5.71s CPU 2.73s WALL ( 1459 calls)
|
|
|
|
|
|
turboTDDFT : 1m24.17s CPU 0m37.91s WALL
|
|
|
|
|
|
This run was terminated on: 14: 5:31 10Jan2017
|
|
|
|
=------------------------------------------------------------------------------=
|
|
JOB DONE.
|
|
=------------------------------------------------------------------------------=
|