8565 lines
572 KiB
Plaintext
8565 lines
572 KiB
Plaintext
|
|
||
|
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||
|
Warning:
|
||
|
|
||
|
Two-electron integrals were not saved to disk in a previous run.
|
||
|
If the 4-index transformation takes time, you may consider
|
||
|
killing this job and running
|
||
|
|
||
|
qp_run four_idx_transform pyrimidine_opt
|
||
|
|
||
|
as a single-node job before re-submitting the current job.
|
||
|
|
||
|
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||
|
|
||
|
Date: 19/06/2021 03:29:35
|
||
|
===============
|
||
|
Quantum Package
|
||
|
===============
|
||
|
|
||
|
Git Commit: Merge branch 'master' into dev
|
||
|
Git Date : Sat Jun 19 00:36:08 2021 +0200
|
||
|
Git SHA1 : 50111861f21670f8006ee5e5bece89a713b5d9b6
|
||
|
EZFIO Dir : pyrimidine_opt
|
||
|
|
||
|
|
||
|
Task server running : tcp://10.131.12.208:41279
|
||
|
.. >>>>> [ IO READ: io_mo_two_e_integrals ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.015263 GB ] [ VIRT MEM : 0.202171 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.000336 s ] [ CPU TIME: 0.045695 s ] <<<<< ..
|
||
|
|
||
|
* mo_num 104
|
||
|
MO map initialized: 14908530
|
||
|
.. >>>>> [ IO READ: no_vvvv_integrals ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.018841 GB ] [ VIRT MEM : 8.645393 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.138799 s ] [ CPU TIME: 0.473429 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: mo_class ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.019043 GB ] [ VIRT MEM : 8.645393 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.304062 s ] [ CPU TIME: 21.454223 s ] <<<<< ..
|
||
|
|
||
|
* N_int 2
|
||
|
.. >>>>> [ IO READ: io_ao_two_e_integrals ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.019043 GB ] [ VIRT MEM : 8.645393 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.318800 s ] [ CPU TIME: 23.329954 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: ao_num ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.019043 GB ] [ VIRT MEM : 8.645393 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.381417 s ] [ CPU TIME: 31.282871 s ] <<<<< ..
|
||
|
|
||
|
AO map initialized : 18638565
|
||
|
Providing the AO integrals
|
||
|
.. >>>>> [ IO READ: ao_prim_num ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.019279 GB ] [ VIRT MEM : 8.645393 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.386138 s ] [ CPU TIME: 31.877206 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: ao_normalized ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.019279 GB ] [ VIRT MEM : 8.645393 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.386879 s ] [ CPU TIME: 31.971836 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: ao_power ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.019337 GB ] [ VIRT MEM : 8.645393 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.390769 s ] [ CPU TIME: 32.443263 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: primitives_normalized ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.019337 GB ] [ VIRT MEM : 8.645393 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.391489 s ] [ CPU TIME: 32.535455 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: ao_coef ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.019390 GB ] [ VIRT MEM : 8.645393 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.396472 s ] [ CPU TIME: 33.116726 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: ao_expo ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.019451 GB ] [ VIRT MEM : 8.645393 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.404880 s ] [ CPU TIME: 34.134983 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: ao_integrals_threshold ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.019451 GB ] [ VIRT MEM : 8.645393 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.406042 s ] [ CPU TIME: 34.280459 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: ao_nucl ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.019615 GB ] [ VIRT MEM : 8.645393 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.418821 s ] [ CPU TIME: 35.896581 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: is_periodic ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.022095 GB ] [ VIRT MEM : 8.805702 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.525429 s ] [ CPU TIME: 44.573157 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: nucl_num ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.022308 GB ] [ VIRT MEM : 8.805702 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.528781 s ] [ CPU TIME: 45.002986 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: nucl_label ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.022385 GB ] [ VIRT MEM : 8.805702 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.677044 s ] [ CPU TIME: 63.830934 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: nucl_charge ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.022396 GB ] [ VIRT MEM : 8.805702 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.842335 s ] [ CPU TIME: 84.825342 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.022419 GB ] [ VIRT MEM : 8.805702 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 0.846903 s ] [ CPU TIME: 85.407698 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Nuclear Coordinates (Angstroms)
|
||
|
===============================
|
||
|
|
||
|
================ ============ ============ ============ ============
|
||
|
Atom Charge X Y Z
|
||
|
================ ============ ============ ============ ============
|
||
|
C 6.000000 0.000000 0.000000 1.278060
|
||
|
C 6.000000 0.000000 0.000000 -1.378035
|
||
|
C 6.000000 0.000000 1.181508 -0.650197
|
||
|
C 6.000000 0.000000 -1.181508 -0.650197
|
||
|
N 7.000000 0.000000 1.197074 0.685918
|
||
|
N 7.000000 0.000000 -1.197074 0.685918
|
||
|
H 1.000000 0.000000 0.000000 2.358968
|
||
|
H 1.000000 0.000000 0.000000 -2.456022
|
||
|
H 1.000000 0.000000 2.143958 -1.144884
|
||
|
H 1.000000 0.000000 -2.143958 -1.144884
|
||
|
================ ============ ============ ============ ============
|
||
|
|
||
|
Minimal interatomic distance found: 1.0780 Angstrom
|
||
|
Sorting the map
|
||
|
AO integrals provided:
|
||
|
Size of AO map : 112.389907836914 MB
|
||
|
Number of AO integrals : 9723683
|
||
|
cpu time : 398.462864000000 s
|
||
|
wall time : 3.45889997482300 s ( x 115.199302350566 )
|
||
|
|
||
|
AO -> MO integrals transformation
|
||
|
---------------------------------
|
||
|
|
||
|
.. >>>>> [ IO READ: mo_integrals_threshold ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 0.156826 GB ] [ VIRT MEM : 8.992638 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 3.841745 s ] [ CPU TIME: 429.788135 s ] <<<<< ..
|
||
|
|
||
|
Read mo_coef
|
||
|
Buffers : 39.22267 MB / core
|
||
|
.. >>>>> [ IO READ: io_ao_integrals_overlap ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 1.085407 GB ] [ VIRT MEM : 12.748489 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 4.116902 s ] [ CPU TIME: 447.548928 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: ao_one_e_integrals_threshold ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 1.085407 GB ] [ VIRT MEM : 12.748489 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 4.117789 s ] [ CPU TIME: 447.666115 s ] <<<<< ..
|
||
|
|
||
|
5.454545 % in 3.62004303932190 s 284.369026184082 MB
|
||
|
Molecular integrals provided:
|
||
|
Size of MO map 284.369064331055 MB
|
||
|
Number of MO integrals: 14907922
|
||
|
cpu time : 438.733384000000 s
|
||
|
wall time : 4.63060402870178 s ( x 94.7464696356258 )
|
||
|
.. >>>>> [ IO READ: do_pt2 ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 1.115349 GB ] [ VIRT MEM : 9.966690 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 8.592687 s ] [ CPU TIME: 883.932485 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: read_wf ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 1.115349 GB ] [ VIRT MEM : 9.966690 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 8.679642 s ] [ CPU TIME: 892.904015 s ] <<<<< ..
|
||
|
|
||
|
* mo_label MCSCF
|
||
|
* Number of determinants 1
|
||
|
.. >>>>> [ IO READ: elec_beta_num ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 1.115349 GB ] [ VIRT MEM : 9.966690 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 8.728105 s ] [ CPU TIME: 892.904966 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: elec_alpha_num ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 1.115349 GB ] [ VIRT MEM : 9.966690 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 8.728827 s ] [ CPU TIME: 892.905252 s ] <<<<< ..
|
||
|
|
||
|
* Dimension of the psi arrays 163840
|
||
|
.. >>>>> [ IO READ: n_states ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 1.120266 GB ] [ VIRT MEM : 9.971584 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 8.733457 s ] [ CPU TIME: 892.909140 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: n_det_max_full ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 1.121471 GB ] [ VIRT MEM : 9.971584 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 8.781342 s ] [ CPU TIME: 892.910234 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: distributed_davidson ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 1.121471 GB ] [ VIRT MEM : 9.971584 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 8.781970 s ] [ CPU TIME: 892.910513 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: io_mo_integrals_n_e ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.124371 GB ] [ VIRT MEM : 11.864170 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 9.102772 s ] [ CPU TIME: 930.751282 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: io_ao_integrals_n_e ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.124371 GB ] [ VIRT MEM : 11.864170 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 9.103686 s ] [ CPU TIME: 930.822401 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: do_pseudo ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.124371 GB ] [ VIRT MEM : 11.864170 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 9.282880 s ] [ CPU TIME: 935.040539 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: io_mo_integrals_kinetic ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.133228 GB ] [ VIRT MEM : 11.919655 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 9.490678 s ] [ CPU TIME: 961.394860 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: io_ao_integrals_kinetic ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.133228 GB ] [ VIRT MEM : 11.919655 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 9.491902 s ] [ CPU TIME: 961.553861 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: io_mo_one_e_integrals ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.134796 GB ] [ VIRT MEM : 11.919655 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 9.622899 s ] [ CPU TIME: 978.320600 s ] <<<<< ..
|
||
|
|
||
|
Providing the one-electron integrals
|
||
|
.. >>>>> [ IO READ: io_nuclear_repulsion ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.134796 GB ] [ VIRT MEM : 11.919655 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 9.624229 s ] [ CPU TIME: 978.489660 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.134796 GB ] [ VIRT MEM : 11.919655 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 9.624488 s ] [ CPU TIME: 978.524763 s ] <<<<< ..
|
||
|
|
||
|
* Nuclear repulsion energy 209.2515402204424
|
||
|
.. >>>>> [ IO READ: weight_one_e_dm ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.134796 GB ] [ VIRT MEM : 11.919655 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 9.625495 s ] [ CPU TIME: 978.650983 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: save_wf_after_selection ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.143482 GB ] [ VIRT MEM : 11.928246 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 10.000218 s ] [ CPU TIME: 1022.522285 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.143944 GB ] [ VIRT MEM : 11.928379 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.630327 s ] [ CPU TIME: 1095.874319 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.143944 GB ] [ VIRT MEM : 11.933273 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.631960 s ] [ CPU TIME: 1096.030355 s ] <<<<< ..
|
||
|
|
||
|
Read n_states_diag
|
||
|
.. >>>>> [ IO READ: selection_factor ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.143944 GB ] [ VIRT MEM : 11.933273 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.634298 s ] [ CPU TIME: 1096.328952 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: n_det_max ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.143944 GB ] [ VIRT MEM : 11.933273 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.635187 s ] [ CPU TIME: 1096.442867 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: pt2_max ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.143944 GB ] [ VIRT MEM : 11.933273 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.638051 s ] [ CPU TIME: 1096.803583 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: variance_max ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.143944 GB ] [ VIRT MEM : 11.933273 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.638884 s ] [ CPU TIME: 1096.914262 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: correlation_energy_ratio_max ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.143944 GB ] [ VIRT MEM : 11.933273 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.639711 s ] [ CPU TIME: 1097.020016 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: s2_eig ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.143944 GB ] [ VIRT MEM : 11.933273 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.640594 s ] [ CPU TIME: 1097.132681 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: pt2_relative_error ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.143944 GB ] [ VIRT MEM : 11.933273 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.641505 s ] [ CPU TIME: 1097.248340 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: threshold_generators ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.143944 GB ] [ VIRT MEM : 11.933273 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.642516 s ] [ CPU TIME: 1097.376652 s ] <<<<< ..
|
||
|
|
||
|
* Target maximum memory (GB) 250
|
||
|
.. >>>>> [ IO READ: csf_based ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.179832 GB ] [ VIRT MEM : 12.003632 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.658905 s ] [ CPU TIME: 1099.262314 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: only_expected_s2 ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.179832 GB ] [ VIRT MEM : 12.003632 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.659946 s ] [ CPU TIME: 1099.395014 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: threshold_davidson ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.179832 GB ] [ VIRT MEM : 12.003632 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.661069 s ] [ CPU TIME: 1099.536359 s ] <<<<< ..
|
||
|
|
||
|
Diagonalization of H using Lapack
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.179836 GB ] [ VIRT MEM : 12.003632 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 12.667661 s ] [ CPU TIME: 1100.377896 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -262.7105085438149
|
||
|
* S^2 of state 1 0.000000000000000
|
||
|
* Saved determinants 1
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.179989 GB ] [ VIRT MEM : 12.003822 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 15.683186 s ] [ CPU TIME: 1222.561062 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 1
|
||
|
* Number of comb teeth 1
|
||
|
.. >>>>> [ IO READ: h0_type ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.179989 GB ] [ VIRT MEM : 12.003822 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 15.684090 s ] [ CPU TIME: 1222.561486 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: weight_selection ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.179989 GB ] [ VIRT MEM : 12.003822 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 15.685827 s ] [ CPU TIME: 1222.724339 s ] <<<<< ..
|
||
|
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
.. >>>>> [ IO READ: pseudo_sym ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.179989 GB ] [ VIRT MEM : 12.003822 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 15.686771 s ] [ CPU TIME: 1222.847632 s ] <<<<< ..
|
||
|
|
||
|
* Number of unique beta determinants 1
|
||
|
* Number of unique alpha determinants 1
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.180912 GB ] [ VIRT MEM : 12.008717 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 15.687526 s ] [ CPU TIME: 1222.943649 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 1
|
||
|
.. >>>>> [ IO READ: pt2_min_parallel_tasks ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.181103 GB ] [ VIRT MEM : 12.013706 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 15.688551 s ] [ CPU TIME: 1223.074277 s ] <<<<< ..
|
||
|
|
||
|
* Number of core MOs 6
|
||
|
* pt2_n_tasks_max 1
|
||
|
* PT2 Energy denominator -262.7105085438149
|
||
|
* Estimated memory/thread (Gb) 0.1490116119384766E-06
|
||
|
* Number of active MOs 98
|
||
|
Active MOs:
|
||
|
7 8 9 10 11 12
|
||
|
13 14 15 16 17 18
|
||
|
19 20 21 22 23 24
|
||
|
25 26 27 28 29 30
|
||
|
31 32 33 34 35 36
|
||
|
37 38 39 40 41 42
|
||
|
43 44 45 46 47 48
|
||
|
49 50 51 52 53 54
|
||
|
55 56 57 58 59 60
|
||
|
61 62 63 64 65 66
|
||
|
67 68 69 70 71 72
|
||
|
73 74 75 76 77 78
|
||
|
79 80 81 82 83 84
|
||
|
85 86 87 88 89 90
|
||
|
91 92 93 94 95 96
|
||
|
97 98 99 100 101 102
|
||
|
103 104
|
||
|
* Number of virtual MOs 0
|
||
|
* Number of inactive MOs 0
|
||
|
.. >>>>> [ IO READ: pert_2rdm ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.185791 GB ] [ VIRT MEM : 12.019581 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 16.049791 s ] [ CPU TIME: 1249.374737 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: excitation_beta_max ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.185905 GB ] [ VIRT MEM : 12.019581 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 16.182082 s ] [ CPU TIME: 1249.505825 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: excitation_alpha_max ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.185905 GB ] [ VIRT MEM : 12.019581 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 16.183062 s ] [ CPU TIME: 1249.506094 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: excitation_max ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.185905 GB ] [ VIRT MEM : 12.019581 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 16.183888 s ] [ CPU TIME: 1249.506337 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: seniority_max ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.185905 GB ] [ VIRT MEM : 12.019581 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 16.184663 s ] [ CPU TIME: 1249.506579 s ] <<<<< ..
|
||
|
|
||
|
Overlap of perturbed states:
|
||
|
0.463116211430719
|
||
|
-------
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio -0.4482470502470672E-02
|
||
|
|
||
|
Summary at N_det = 1
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -262.71050854
|
||
|
# PT2 -1.03091176 0.00000000
|
||
|
# rPT2 -0.70460005 0.00000000
|
||
|
#
|
||
|
# E+PT2 -263.74142030 0.00000000
|
||
|
# E+rPT2 -263.41510859 0.00000000
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 1
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 0.000000000000000E+000
|
||
|
E = -262.710508543815
|
||
|
Variance = 2.77340285200475 +/- 0.000000000000000E+000
|
||
|
PT norm = 0.680526422286982 +/- 0.000000000000000E+000
|
||
|
PT2 = -1.03091175502804 +/- 0.000000000000000E+000
|
||
|
rPT2 = -0.704600049520302 +/- 0.000000000000000E+000
|
||
|
E+PT2 = -263.741420298843 +/- 0.000000000000000E+000
|
||
|
E+rPT2 = -263.415108593335 +/- 0.000000000000000E+000
|
||
|
|
||
|
-----
|
||
|
.. >>>>> [ IO READ: io_mo_integrals_pseudo ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.186150 GB ] [ VIRT MEM : 12.019581 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 16.671312 s ] [ CPU TIME: 1249.992993 s ] <<<<< ..
|
||
|
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
Vnn : Nucleus-Nucleus potential energy
|
||
|
Ven : Electron-Nucleus potential energy
|
||
|
Vee : Electron-Electron potential energy
|
||
|
Vecp : Potential energy of the pseudo-potentials
|
||
|
T : Electronic kinetic energy
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.34219880389
|
||
|
Vee = 297.760234117069
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 262.619915922567
|
||
|
|
||
|
|
||
|
.. >>>>> [ IO READ: n_det_iterations ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.191704 GB ] [ VIRT MEM : 12.019581 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 17.164100 s ] [ CPU TIME: 1312.520353 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: pt2_iterations ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.191708 GB ] [ VIRT MEM : 12.019581 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 17.382641 s ] [ CPU TIME: 1339.169242 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: energy_iterations ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.191708 GB ] [ VIRT MEM : 12.019581 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 17.574378 s ] [ CPU TIME: 1363.518445 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: pruning ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.191708 GB ] [ VIRT MEM : 12.019581 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 19.351673 s ] [ CPU TIME: 1451.489711 s ] <<<<< ..
|
||
|
|
||
|
Diagonalization of H using Lapack
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.191963 GB ] [ VIRT MEM : 12.019581 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 19.370424 s ] [ CPU TIME: 1453.874986 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -262.7712672926655
|
||
|
* S^2 of state 1 0.000000000000000
|
||
|
* Saved determinants 5
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.192184 GB ] [ VIRT MEM : 12.019581 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 23.970237 s ] [ CPU TIME: 1611.237662 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 5
|
||
|
* Number of comb teeth 1
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Number of unique beta determinants 5
|
||
|
* Number of unique alpha determinants 5
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.192184 GB ] [ VIRT MEM : 12.019581 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 23.970617 s ] [ CPU TIME: 1611.287779 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 5
|
||
|
* pt2_n_tasks_max 1
|
||
|
* PT2 Energy denominator -262.7712672926655
|
||
|
* Estimated memory/thread (Gb) 0.7450580596923828E-06
|
||
|
Overlap of perturbed states:
|
||
|
0.360783124539641
|
||
|
-------
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.8057780525250587E-01
|
||
|
|
||
|
Summary at N_det = 5
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -262.77126729
|
||
|
# PT2 -0.89458212 0.00000000
|
||
|
# rPT2 -0.65740242 0.00000000
|
||
|
#
|
||
|
# E+PT2 -263.66584942 0.00000000
|
||
|
# E+rPT2 -263.42866972 0.00000000
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 5
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 0.000000000000000E+000
|
||
|
E = -262.771267292665
|
||
|
Variance = 2.59878003615077 +/- 0.000000000000000E+000
|
||
|
PT norm = 0.600652249258788 +/- 0.000000000000000E+000
|
||
|
PT2 = -0.894582124209848 +/- 0.000000000000000E+000
|
||
|
rPT2 = -0.657402423705460 +/- 0.000000000000000E+000
|
||
|
E+PT2 = -263.665849416875 +/- 0.000000000000000E+000
|
||
|
E+rPT2 = -263.428669716371 +/- 0.000000000000000E+000
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.46517848615
|
||
|
Vee = 297.699037060370
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 262.743333912668
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.7046 -263.61755878
|
||
|
=========== ===================
|
||
|
|
||
|
Diagonalization of H using Lapack
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.203426 GB ] [ VIRT MEM : 12.028172 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 26.328283 s ] [ CPU TIME: 1764.602833 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -262.8322836879978
|
||
|
* S^2 of state 1 0.000000000000000
|
||
|
* Saved determinants 10
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.204102 GB ] [ VIRT MEM : 12.028172 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 28.731611 s ] [ CPU TIME: 1866.602183 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 10
|
||
|
* Number of comb teeth 1
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Number of unique beta determinants 10
|
||
|
* Number of unique alpha determinants 10
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.204121 GB ] [ VIRT MEM : 12.028172 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 28.732125 s ] [ CPU TIME: 1866.667605 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 10
|
||
|
* pt2_n_tasks_max 1
|
||
|
* PT2 Energy denominator -262.8322836879978
|
||
|
* Estimated memory/thread (Gb) 0.1490116119384766E-05
|
||
|
Overlap of perturbed states:
|
||
|
0.302155542104340
|
||
|
-------
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.1644177067530120
|
||
|
|
||
|
Summary at N_det = 10
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -262.83228369
|
||
|
# PT2 -0.78505718 0.00000000
|
||
|
# rPT2 -0.60289048 0.00000000
|
||
|
#
|
||
|
# E+PT2 -263.61734087 0.00000000
|
||
|
# E+rPT2 -263.43517417 0.00000000
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 10
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 0.000000000000000E+000
|
||
|
E = -262.832283687998
|
||
|
Variance = 2.39860175996780 +/- 0.000000000000000E+000
|
||
|
PT norm = 0.549686767263266 +/- 0.000000000000000E+000
|
||
|
PT2 = -0.785057182707502 +/- 0.000000000000000E+000
|
||
|
rPT2 = -0.602890482222128 +/- 0.000000000000000E+000
|
||
|
E+PT2 = -263.617340870705 +/- 0.000000000000000E+000
|
||
|
E+rPT2 = -263.435174170220 +/- 0.000000000000000E+000
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.52274287482
|
||
|
Vee = 297.605715497435
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 262.833203468941
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.6574 -263.50711205
|
||
|
-0.7046 -263.55422109
|
||
|
=========== ===================
|
||
|
|
||
|
Diagonalization of H using Lapack
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.206154 GB ] [ VIRT MEM : 12.028172 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 30.716209 s ] [ CPU TIME: 2016.920716 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -262.8998685650960
|
||
|
* S^2 of state 1 0.1240260630551736E-01
|
||
|
* Saved determinants 20
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.206181 GB ] [ VIRT MEM : 12.028172 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 35.798390 s ] [ CPU TIME: 2174.071069 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 20
|
||
|
* Number of comb teeth 1
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Number of unique beta determinants 17
|
||
|
* Number of unique alpha determinants 17
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.206188 GB ] [ VIRT MEM : 12.028172 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 35.799642 s ] [ CPU TIME: 2174.179605 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 20
|
||
|
* pt2_n_tasks_max 1
|
||
|
* PT2 Energy denominator -262.8998685650960
|
||
|
* Estimated memory/thread (Gb) 0.2980232238769531E-05
|
||
|
Overlap of perturbed states:
|
||
|
0.238730206700029
|
||
|
-------
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.2549340163183526
|
||
|
|
||
|
Summary at N_det = 20
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -262.89986857
|
||
|
# PT2 -0.67415557 0.00000000
|
||
|
# rPT2 -0.54423115 0.00000000
|
||
|
#
|
||
|
# E+PT2 -263.57402413 0.00000000
|
||
|
# E+rPT2 -263.44409972 0.00000000
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 20
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 1.240260630551736E-002
|
||
|
E = -262.899868565096
|
||
|
Variance = 2.21189393791292 +/- 0.000000000000000E+000
|
||
|
PT norm = 0.488600252455962 +/- 0.000000000000000E+000
|
||
|
PT2 = -0.674155566266710 +/- 0.000000000000000E+000
|
||
|
rPT2 = -0.544231151077406 +/- 0.000000000000000E+000
|
||
|
E+PT2 = -263.574024131363 +/- 0.000000000000000E+000
|
||
|
E+rPT2 = -263.444099716173 +/- 0.000000000000000E+000
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.55586531075
|
||
|
Vee = 297.500284674343
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 262.904171850867
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.6029 -263.52690939
|
||
|
-0.6574 -263.51811244
|
||
|
-0.7046 -263.53933919
|
||
|
=========== ===================
|
||
|
|
||
|
Diagonalization of H using Lapack
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.208828 GB ] [ VIRT MEM : 12.028172 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 38.250372 s ] [ CPU TIME: 2280.500908 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -262.9526905803325
|
||
|
* S^2 of state 1 0.4382591709078979E-01
|
||
|
* Saved determinants 40
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.208893 GB ] [ VIRT MEM : 12.028172 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 41.397566 s ] [ CPU TIME: 2446.351983 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 40
|
||
|
* Number of comb teeth 1
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Number of unique beta determinants 23
|
||
|
* Number of unique alpha determinants 24
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.208893 GB ] [ VIRT MEM : 12.028172 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 41.398347 s ] [ CPU TIME: 2446.428404 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 40
|
||
|
* pt2_n_tasks_max 1
|
||
|
* PT2 Energy denominator -262.9526905803325
|
||
|
* Estimated memory/thread (Gb) 0.5960464477539062E-05
|
||
|
Overlap of perturbed states:
|
||
|
0.196872924438417
|
||
|
-------
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.3242685033953682
|
||
|
|
||
|
Summary at N_det = 40
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -262.95269058
|
||
|
# PT2 -0.59618904 0.00000000
|
||
|
# rPT2 -0.49812225 0.00000000
|
||
|
#
|
||
|
# E+PT2 -263.54887962 0.00000000
|
||
|
# E+rPT2 -263.45081283 0.00000000
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 40
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 4.382591709078979E-002
|
||
|
E = -262.952690580333
|
||
|
Variance = 2.07772583241944 +/- 0.000000000000000E+000
|
||
|
PT norm = 0.443703644833369 +/- 0.000000000000000E+000
|
||
|
PT2 = -0.596189039240249 +/- 0.000000000000000E+000
|
||
|
rPT2 = -0.498122254306978 +/- 0.000000000000000E+000
|
||
|
E+PT2 = -263.548879619573 +/- 0.000000000000000E+000
|
||
|
E+rPT2 = -263.450812834639 +/- 0.000000000000000E+000
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.55497754361
|
||
|
Vee = 297.415255448531
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 262.935491294306
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.5442 -263.52333580
|
||
|
-0.6029 -263.52529415
|
||
|
-0.6574 -263.52050432
|
||
|
-0.7046 -263.53370796
|
||
|
=========== ===================
|
||
|
|
||
|
Diagonalization of H using Lapack
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.209461 GB ] [ VIRT MEM : 12.031441 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 45.093241 s ] [ CPU TIME: 2638.411315 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -262.9994615769970
|
||
|
* S^2 of state 1 0.3303881658298356E-01
|
||
|
* Saved determinants 80
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.209663 GB ] [ VIRT MEM : 12.031624 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 48.441278 s ] [ CPU TIME: 2798.291093 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 80
|
||
|
* Number of comb teeth 1
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Number of unique beta determinants 45
|
||
|
* Number of unique alpha determinants 45
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.209663 GB ] [ VIRT MEM : 12.031624 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 48.442243 s ] [ CPU TIME: 2798.392898 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 80
|
||
|
* pt2_n_tasks_max 1
|
||
|
* PT2 Energy denominator -262.9994615769970
|
||
|
* Estimated memory/thread (Gb) 0.1192092895507812E-04
|
||
|
Overlap of perturbed states:
|
||
|
0.171804948714672
|
||
|
-------
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.3826894465710781
|
||
|
|
||
|
Summary at N_det = 80
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -262.99946158
|
||
|
# PT2 -0.54024170 0.00000000
|
||
|
# rPT2 -0.46103381 0.00000000
|
||
|
#
|
||
|
# E+PT2 -263.53970328 0.00000000
|
||
|
# E+rPT2 -263.46049539 0.00000000
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 80
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 3.303881658298356E-002
|
||
|
E = -262.999461576997
|
||
|
Variance = 1.94636474620273 +/- 0.000000000000000E+000
|
||
|
PT norm = 0.414493605155342 +/- 0.000000000000000E+000
|
||
|
PT2 = -0.540241704650390 +/- 0.000000000000000E+000
|
||
|
rPT2 = -0.461033813897927 +/- 0.000000000000000E+000
|
||
|
E+PT2 = -263.539703281647 +/- 0.000000000000000E+000
|
||
|
E+rPT2 = -263.460495390895 +/- 0.000000000000000E+000
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.54370983188
|
||
|
Vee = 297.348314449304
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 262.944393585137
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.4981 -263.58085596
|
||
|
-0.5442 -263.54953065
|
||
|
-0.6029 -263.53883499
|
||
|
-0.6574 -263.53102983
|
||
|
-0.7046 -263.53816643
|
||
|
=========== ===================
|
||
|
|
||
|
Diagonalization of H using Lapack
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.217407 GB ] [ VIRT MEM : 12.036324 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 52.104619 s ] [ CPU TIME: 3006.896849 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.0495407638442
|
||
|
* S^2 of state 1 0.3160884454855181E-01
|
||
|
* Saved determinants 160
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.217587 GB ] [ VIRT MEM : 12.036324 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 55.771456 s ] [ CPU TIME: 3137.235656 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 160
|
||
|
* Number of comb teeth 1
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Number of unique beta determinants 88
|
||
|
* Number of unique alpha determinants 88
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.217670 GB ] [ VIRT MEM : 12.036324 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 55.772343 s ] [ CPU TIME: 3137.348946 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 160
|
||
|
* pt2_n_tasks_max 1
|
||
|
* PT2 Energy denominator -263.0495407638442
|
||
|
* Estimated memory/thread (Gb) 0.2384185791015625E-04
|
||
|
Overlap of perturbed states:
|
||
|
0.144913249780369
|
||
|
-------
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.4445218604723886
|
||
|
|
||
|
Summary at N_det = 160
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.04954076
|
||
|
# PT2 -0.48055254 0.00000000
|
||
|
# rPT2 -0.41972834 0.00000000
|
||
|
#
|
||
|
# E+PT2 -263.53009330 0.00000000
|
||
|
# E+rPT2 -263.46926910 0.00000000
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 160
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 3.160884454855181E-002
|
||
|
E = -263.049540763844
|
||
|
Variance = 1.79353713256166 +/- 0.000000000000000E+000
|
||
|
PT norm = 0.380674729631964 +/- 0.000000000000000E+000
|
||
|
PT2 = -0.480552536140030 +/- 0.000000000000000E+000
|
||
|
rPT2 = -0.419728338572565 +/- 0.000000000000000E+000
|
||
|
E+PT2 = -263.530093299984 +/- 0.000000000000000E+000
|
||
|
E+rPT2 = -263.469269102417 +/- 0.000000000000000E+000
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.54215478358
|
||
|
Vee = 297.274853167124
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 262.966220632171
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.4610 -263.55842376
|
||
|
-0.4981 -263.56820290
|
||
|
-0.5442 -263.55546266
|
||
|
-0.6029 -263.54607469
|
||
|
-0.6574 -263.53835109
|
||
|
-0.7046 -263.54212423
|
||
|
=========== ===================
|
||
|
|
||
|
Diagonalization of H using Lapack
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.227829 GB ] [ VIRT MEM : 12.040424 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 57.016303 s ] [ CPU TIME: 3269.155798 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.0975580851409
|
||
|
* S^2 of state 1 0.2446709287198537E-01
|
||
|
* Saved determinants 320
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.227932 GB ] [ VIRT MEM : 12.040424 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 58.094954 s ] [ CPU TIME: 3374.658556 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 320
|
||
|
* Number of comb teeth 1
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Number of unique beta determinants 137
|
||
|
* Number of unique alpha determinants 137
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.227932 GB ] [ VIRT MEM : 12.040424 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 58.095639 s ] [ CPU TIME: 3374.748357 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 320
|
||
|
* pt2_n_tasks_max 1
|
||
|
* PT2 Energy denominator -263.0975580851409
|
||
|
* Estimated memory/thread (Gb) 0.4768371582031250E-04
|
||
|
Overlap of perturbed states:
|
||
|
0.124016665986840
|
||
|
-------
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.5023091915024100
|
||
|
|
||
|
Summary at N_det = 320
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.09755809
|
||
|
# PT2 -0.42754845 0.00000000
|
||
|
# rPT2 -0.38037554 0.00000000
|
||
|
#
|
||
|
# E+PT2 -263.52510654 0.00000000
|
||
|
# E+rPT2 -263.47793363 0.00000000
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 320
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 2.446709287198537E-002
|
||
|
E = -263.097558085141
|
||
|
Variance = 1.65776816717730 +/- 0.000000000000000E+000
|
||
|
PT norm = 0.352160000549239 +/- 0.000000000000000E+000
|
||
|
PT2 = -0.427548451707081 +/- 0.000000000000000E+000
|
||
|
rPT2 = -0.380375544816065 +/- 0.000000000000000E+000
|
||
|
E+PT2 = -263.525106536848 +/- 0.000000000000000E+000
|
||
|
E+rPT2 = -263.477933629957 +/- 0.000000000000000E+000
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.52897241830
|
||
|
Vee = 297.198511621416
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 262.981362491303
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.4197 -263.56168307
|
||
|
-0.4610 -263.56010513
|
||
|
-0.4981 -263.56501829
|
||
|
-0.5442 -263.55797365
|
||
|
-0.6029 -263.55062318
|
||
|
-0.6574 -263.54373472
|
||
|
-0.7046 -263.54559056
|
||
|
=========== ===================
|
||
|
|
||
|
Diagonalization of H using Lapack
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.241249 GB ] [ VIRT MEM : 12.049763 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 62.977643 s ] [ CPU TIME: 3746.004604 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.1493025062138
|
||
|
* S^2 of state 1 0.2286544924336649E-01
|
||
|
* Saved determinants 640
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.241272 GB ] [ VIRT MEM : 12.049763 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 66.541510 s ] [ CPU TIME: 3867.780979 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 640
|
||
|
* Number of comb teeth 1
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Number of unique beta determinants 232
|
||
|
* Number of unique alpha determinants 231
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.241272 GB ] [ VIRT MEM : 12.049763 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 66.542373 s ] [ CPU TIME: 3867.892970 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 640
|
||
|
* pt2_n_tasks_max 1
|
||
|
* PT2 Energy denominator -263.1493025062138
|
||
|
* Estimated memory/thread (Gb) 0.9536743164062500E-04
|
||
|
Overlap of perturbed states:
|
||
|
0.100915786301887
|
||
|
-------
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.5618673367107690
|
||
|
|
||
|
Summary at N_det = 640
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.14930251
|
||
|
# PT2 -0.37399291 0.00000000
|
||
|
# rPT2 -0.33971074 0.00000000
|
||
|
#
|
||
|
# E+PT2 -263.52329542 0.00000000
|
||
|
# E+rPT2 -263.48901324 0.00000000
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 640
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 2.286544924336649E-002
|
||
|
E = -263.149302506214
|
||
|
Variance = 1.53179851401075 +/- 0.000000000000000E+000
|
||
|
PT norm = 0.317672451279439 +/- 0.000000000000000E+000
|
||
|
PT2 = -0.373992912265403 +/- 0.000000000000000E+000
|
||
|
rPT2 = -0.339710736205983 +/- 0.000000000000000E+000
|
||
|
E+PT2 = -263.523295418479 +/- 0.000000000000000E+000
|
||
|
E+rPT2 = -263.489013242420 +/- 0.000000000000000E+000
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.53531953253
|
||
|
Vee = 297.126881723020
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.007595082854
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.3804 -263.58157149
|
||
|
-0.4197 -263.57254171
|
||
|
-0.4610 -263.56766423
|
||
|
-0.4981 -263.56859324
|
||
|
-0.5442 -263.56294154
|
||
|
-0.6029 -263.55636286
|
||
|
-0.6574 -263.54989496
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 428
|
||
|
* Number of unique beta determinants 428
|
||
|
.. >>>>> [ IO READ: davidson_sze_max ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.250210 GB ] [ VIRT MEM : 12.049774 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 72.226405 s ] [ CPU TIME: 4359.785350 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: state_following ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.250210 GB ] [ VIRT MEM : 12.049774 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 72.326246 s ] [ CPU TIME: 4372.469330 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: disk_based_davidson ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.250210 GB ] [ VIRT MEM : 12.049774 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 72.423263 s ] [ CPU TIME: 4384.233781 s ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ IO READ: threshold_davidson_from_pt2 ] <<<<< ..
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.250210 GB ] [ VIRT MEM : 12.049774 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 72.493871 s ] [ CPU TIME: 4384.234531 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.250210 GB ] [ VIRT MEM : 12.049774 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 72.494143 s ] [ CPU TIME: 4384.234736 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 1280
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 0.4183012992143631E-02
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.1493025062 0.022865 0.165E-01
|
||
|
1 -263.2040733848 0.017970 0.159E-03
|
||
|
2 -263.2045319967 0.017779 0.237E-05
|
||
|
3 -263.2045400540 0.017707 0.404E-07
|
||
|
4 -263.2045401850 0.017703 0.106E-08
|
||
|
5 -263.2045401886 0.017702 0.224E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.251614 GB ] [ VIRT MEM : 12.049774 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 72.506333 s ] [ CPU TIME: 4385.654144 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.251614 GB ] [ VIRT MEM : 12.049774 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 72.506615 s ] [ CPU TIME: 4385.693465 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.2045401885631
|
||
|
* S^2 of state 1 0.1770249507195088E-01
|
||
|
* Saved determinants 1280
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.251617 GB ] [ VIRT MEM : 12.049774 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 75.915821 s ] [ CPU TIME: 4519.133981 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 1280
|
||
|
* Number of comb teeth 53
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.251617 GB ] [ VIRT MEM : 12.049774 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 75.922943 s ] [ CPU TIME: 4520.042096 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 1280
|
||
|
* pt2_n_tasks_max 1
|
||
|
* PT2 Energy denominator -263.2045401885631
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.251656 GB ] [ VIRT MEM : 12.049774 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 75.925421 s ] [ CPU TIME: 4520.360253 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 1280
|
||
|
* Number of comb teeth 53
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.251656 GB ] [ VIRT MEM : 12.049774 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 75.931929 s ] [ CPU TIME: 4521.189677 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 1280
|
||
|
* pt2_n_tasks_max 1
|
||
|
* Number of tasks 1280
|
||
|
* Number of fragmented tasks 0
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 0.3493650108575821E-01
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.524543 0.707E-03 1.376474 0.339E-02 0.082431 0.151E-03 1.6591
|
||
|
12 -263.524173 0.148E-03 1.374456 0.987E-03 0.082347 0.275E-04 2.6933
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
8.232804512826089E-002
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.277462 GB ] [ VIRT MEM : 12.078857 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 79.148586 s ] [ CPU TIME: 4920.095331 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 1280
|
||
|
* Number of comb teeth 53
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.277462 GB ] [ VIRT MEM : 12.078857 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 79.154893 s ] [ CPU TIME: 4920.503823 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 1280
|
||
|
* pt2_n_tasks_max 1
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.6244158939287963
|
||
|
|
||
|
Summary at N_det = 1280
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.20454019
|
||
|
# PT2 -0.31957592 0.00013000
|
||
|
# rPT2 -0.29526715 0.00012011
|
||
|
#
|
||
|
# E+PT2 -263.52411611 0.00013000
|
||
|
# E+rPT2 -263.49980734 0.00012011
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 1280
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 1.770249507195088E-002
|
||
|
E = -263.204540188563
|
||
|
Variance = 1.37450664603063 +/- 8.009392205892767E-004
|
||
|
PT norm = 0.286928641178013 +/- 4.274034879607799E-005
|
||
|
PT2 = -0.319575917388161 +/- 1.300006218962695E-004
|
||
|
rPT2 = -0.295267150127566 +/- 1.201120330212489E-004
|
||
|
E+PT2 = -263.524116105951 +/- 1.300006218962695E-004
|
||
|
E+rPT2 = -263.499807338691 +/- 1.201120330212489E-004
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.54682038300
|
||
|
Vee = 297.044794870049
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.045945103948
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.3397 -263.57151942
|
||
|
-0.3804 -263.57582949
|
||
|
-0.4197 -263.57301890
|
||
|
-0.4610 -263.56998261
|
||
|
-0.4981 -263.57005525
|
||
|
-0.5442 -263.56587645
|
||
|
-0.6029 -263.56047067
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 712
|
||
|
* Number of unique beta determinants 711
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.277840 GB ] [ VIRT MEM : 12.078857 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 81.450845 s ] [ CPU TIME: 5044.830832 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 2560
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 0.7466617971658707E-02
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.2045401886 0.017702 0.163E-01
|
||
|
1 -263.2587386274 0.016077 0.230E-03
|
||
|
2 -263.2594157911 0.016116 0.711E-05
|
||
|
3 -263.2594361224 0.016073 0.244E-06
|
||
|
4 -263.2594368538 0.016055 0.588E-08
|
||
|
5 -263.2594368743 0.016054 0.150E-09
|
||
|
6 -263.2594368749 0.016054 0.377E-11
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.269539 GB ] [ VIRT MEM : 12.075199 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 81.470204 s ] [ CPU TIME: 5047.310315 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.269539 GB ] [ VIRT MEM : 12.075199 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 81.470525 s ] [ CPU TIME: 5047.353465 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.2594368748607
|
||
|
* S^2 of state 1 0.1605360578536190E-01
|
||
|
* Saved determinants 2560
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.269897 GB ] [ VIRT MEM : 12.075199 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 84.842235 s ] [ CPU TIME: 5173.664116 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 2560
|
||
|
* Number of comb teeth 66
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.269978 GB ] [ VIRT MEM : 12.075199 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 84.849054 s ] [ CPU TIME: 5174.529653 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 2560
|
||
|
* pt2_n_tasks_max 1
|
||
|
* PT2 Energy denominator -263.2594368748607
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.270031 GB ] [ VIRT MEM : 12.075199 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 84.851874 s ] [ CPU TIME: 5174.895167 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 2560
|
||
|
* Number of comb teeth 66
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.270031 GB ] [ VIRT MEM : 12.075199 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 84.857198 s ] [ CPU TIME: 5175.573593 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 2560
|
||
|
* pt2_n_tasks_max 1
|
||
|
* Number of tasks 2560
|
||
|
* Number of fragmented tasks 0
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 0.5949052125215530E-01
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.528960 0.437E-03 1.232726 0.317E-02 0.065304 0.626E-04 2.6142
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
6.524811627898808E-002
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.314548 GB ] [ VIRT MEM : 12.134808 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 88.143157 s ] [ CPU TIME: 5571.289792 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 2560
|
||
|
* Number of comb teeth 66
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.314548 GB ] [ VIRT MEM : 12.134808 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 88.148220 s ] [ CPU TIME: 5571.363772 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 2560
|
||
|
* pt2_n_tasks_max 1
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.6835017115850065
|
||
|
|
||
|
Summary at N_det = 2560
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.25943687
|
||
|
# PT2 -0.26921757 0.00024989
|
||
|
# rPT2 -0.25272757 0.00023458
|
||
|
#
|
||
|
# E+PT2 -263.52865444 0.00024989
|
||
|
# E+rPT2 -263.51216444 0.00023458
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 2560
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 1.605360578536190E-002
|
||
|
E = -263.259436874861
|
||
|
Variance = 1.23108976184776 +/- 1.597037508269590E-003
|
||
|
PT norm = 0.255437108265397 +/- 1.088519901944156E-004
|
||
|
PT2 = -0.269217566755303 +/- 2.498905207282335E-004
|
||
|
rPT2 = -0.252727568949575 +/- 2.345843347755682E-004
|
||
|
E+PT2 = -263.528654441616 +/- 2.498905207282335E-004
|
||
|
E+rPT2 = -263.512164443810 +/- 2.345843347755682E-004
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.53772311893
|
||
|
Vee = 296.958526553251
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.068219470371
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.2953 -263.58557798
|
||
|
-0.3397 -263.57903339
|
||
|
-0.3804 -263.57888936
|
||
|
-0.4197 -263.57640108
|
||
|
-0.4610 -263.57367664
|
||
|
-0.4981 -263.57303796
|
||
|
-0.5442 -263.56954484
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 1197
|
||
|
* Number of unique beta determinants 1199
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.319004 GB ] [ VIRT MEM : 12.134808 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 88.415007 s ] [ CPU TIME: 5605.167555 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 5120
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 0.1360866427421570E-01
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.2594368749 0.016054 0.145E-01
|
||
|
1 -263.3097767410 0.015577 0.211E-03
|
||
|
2 -263.3103685824 0.015636 0.678E-05
|
||
|
3 -263.3103854822 0.015643 0.215E-06
|
||
|
4 -263.3103860494 0.015639 0.645E-08
|
||
|
5 -263.3103860690 0.015640 0.250E-09
|
||
|
6 -263.3103860697 0.015640 0.102E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.324818 GB ] [ VIRT MEM : 12.134808 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 88.450005 s ] [ CPU TIME: 5609.647613 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.323055 GB ] [ VIRT MEM : 12.130901 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 88.450703 s ] [ CPU TIME: 5609.739991 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.3103860696793
|
||
|
* S^2 of state 1 0.1563996211993939E-01
|
||
|
* Saved determinants 5120
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.323456 GB ] [ VIRT MEM : 12.130901 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 89.135829 s ] [ CPU TIME: 5686.784786 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 5120
|
||
|
* Number of comb teeth 78
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.323456 GB ] [ VIRT MEM : 12.130901 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 89.141594 s ] [ CPU TIME: 5687.521311 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 5120
|
||
|
* pt2_n_tasks_max 1
|
||
|
* PT2 Energy denominator -263.3103860696793
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.323982 GB ] [ VIRT MEM : 12.130901 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 89.145010 s ] [ CPU TIME: 5687.957510 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 5120
|
||
|
* Number of comb teeth 78
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.323982 GB ] [ VIRT MEM : 12.130901 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 89.149137 s ] [ CPU TIME: 5688.483481 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 5120
|
||
|
* pt2_n_tasks_max 1
|
||
|
* Number of tasks 5120
|
||
|
* Number of fragmented tasks 0
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 0.1085981443524361
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.536516 0.478E-03 1.105735 0.204E-02 0.051148 0.127E-03 4.5750
|
||
|
22 -263.536421 0.223E-03 1.104528 0.169E-02 0.051145 0.341E-04 5.7339
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
5.116023830690464E-002
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.423443 GB ] [ VIRT MEM : 12.220974 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 95.505197 s ] [ CPU TIME: 6478.884782 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 5120
|
||
|
* Number of comb teeth 78
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.423443 GB ] [ VIRT MEM : 12.220974 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 95.510867 s ] [ CPU TIME: 6479.104864 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 5120
|
||
|
* pt2_n_tasks_max 1
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.7350065168942074
|
||
|
|
||
|
Summary at N_det = 5120
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.31038607
|
||
|
# PT2 -0.22614822 0.00021330
|
||
|
# rPT2 -0.21514153 0.00020292
|
||
|
#
|
||
|
# E+PT2 -263.53653429 0.00021330
|
||
|
# E+rPT2 -263.52552760 0.00020292
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 5120
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 1.563996211993939E-002
|
||
|
E = -263.310386069679
|
||
|
Variance = 1.10536714062015 +/- 1.590316133587158E-003
|
||
|
PT norm = 0.226186291155995 +/- 7.022413497138872E-005
|
||
|
PT2 = -0.226148223876984 +/- 2.133046759591256E-004
|
||
|
rPT2 = -0.215141531838418 +/- 2.029230826906978E-004
|
||
|
E+PT2 = -263.536534293556 +/- 2.133046759591256E-004
|
||
|
E+rPT2 = -263.525527601518 +/- 2.029230826906978E-004
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.53870411160
|
||
|
Vee = 296.885010470797
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.091767350682
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.2527 -263.60201798
|
||
|
-0.2953 -263.59398555
|
||
|
-0.3397 -263.58712077
|
||
|
-0.3804 -263.58484169
|
||
|
-0.4197 -263.58190012
|
||
|
-0.4610 -263.57897487
|
||
|
-0.4981 -263.57768607
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 2238
|
||
|
* Number of unique beta determinants 2237
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.424458 GB ] [ VIRT MEM : 12.220974 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 97.125656 s ] [ CPU TIME: 6619.383291 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 10240
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 0.2623393759131432E-01
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.3103860697 0.015640 0.124E-01
|
||
|
1 -263.3557792938 0.011942 0.184E-03
|
||
|
2 -263.3563699578 0.011904 0.779E-05
|
||
|
3 -263.3563913157 0.011900 0.407E-06
|
||
|
4 -263.3563925245 0.011883 0.192E-07
|
||
|
5 -263.3563925852 0.011880 0.946E-09
|
||
|
6 -263.3563925882 0.011880 0.489E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.432087 GB ] [ VIRT MEM : 12.233215 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 97.193850 s ] [ CPU TIME: 6628.108637 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.429646 GB ] [ VIRT MEM : 12.228321 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 97.194555 s ] [ CPU TIME: 6628.203272 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.3563925881936
|
||
|
* S^2 of state 1 0.1188006579715651E-01
|
||
|
* Saved determinants 10240
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.423805 GB ] [ VIRT MEM : 12.224884 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 100.341090 s ] [ CPU TIME: 6795.601963 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 10240
|
||
|
* Number of comb teeth 88
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.423912 GB ] [ VIRT MEM : 12.224884 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 100.347926 s ] [ CPU TIME: 6796.476985 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 10240
|
||
|
* pt2_n_tasks_max 2
|
||
|
* PT2 Energy denominator -263.3563925881936
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.423630 GB ] [ VIRT MEM : 12.224258 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 100.354590 s ] [ CPU TIME: 6797.330759 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 10240
|
||
|
* Number of comb teeth 88
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.423630 GB ] [ VIRT MEM : 12.224258 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 100.357695 s ] [ CPU TIME: 6797.726176 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 10240
|
||
|
* pt2_n_tasks_max 2
|
||
|
* Number of tasks 10560
|
||
|
* Number of fragmented tasks 320
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 0.2068792909383774
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.544004 0.531E-03 0.982029 0.318E-02 0.039468 0.125E-03 4.4795
|
||
|
12 -263.545070 0.353E-03 0.990173 0.337E-02 0.039621 0.458E-04 5.7421
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
3.963024192001624E-002
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.653423 GB ] [ VIRT MEM : 12.451912 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 106.910266 s ] [ CPU TIME: 7595.125943 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 10240
|
||
|
* Number of comb teeth 88
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.653423 GB ] [ VIRT MEM : 12.451912 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 106.913241 s ] [ CPU TIME: 7595.145991 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 10240
|
||
|
* pt2_n_tasks_max 2
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.7797124929730211
|
||
|
|
||
|
Summary at N_det = 10240
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.35639259
|
||
|
# PT2 -0.18878586 0.00029769
|
||
|
# rPT2 -0.18158943 0.00028635
|
||
|
#
|
||
|
# E+PT2 -263.54517845 0.00029769
|
||
|
# E+rPT2 -263.53798202 0.00028635
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 10240
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 1.188006579715651E-002
|
||
|
E = -263.356392588194
|
||
|
Variance = 0.990980338081839 +/- 2.706842981467673E-003
|
||
|
PT norm = 0.199073458602638 +/- 9.482142049498309E-005
|
||
|
PT2 = -0.188785861343226 +/- 2.976949577682807E-004
|
||
|
rPT2 = -0.181589428366927 +/- 2.863469585287264E-004
|
||
|
E+PT2 = -263.545178449537 +/- 2.976949577682807E-004
|
||
|
E+rPT2 = -263.537982016560 +/- 2.863469585287264E-004
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.56393615654
|
||
|
Vee = 296.830229236474
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.125774111430
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.2151 -263.60538733
|
||
|
-0.2527 -263.60376031
|
||
|
-0.2953 -263.59841129
|
||
|
-0.3397 -263.59265148
|
||
|
-0.3804 -263.58983118
|
||
|
-0.4197 -263.58682373
|
||
|
-0.4610 -263.58389378
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 4317
|
||
|
* Number of unique beta determinants 4318
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.655888 GB ] [ VIRT MEM : 12.451912 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 109.540571 s ] [ CPU TIME: 7717.984292 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 20480
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 0.5149498209357262E-01
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.3563925882 0.011880 0.966E-02
|
||
|
1 -263.3935694442 0.008333 0.156E-03
|
||
|
2 -263.3940573025 0.008206 0.863E-05
|
||
|
3 -263.3940796394 0.008200 0.466E-06
|
||
|
4 -263.3940810956 0.008183 0.247E-07
|
||
|
5 -263.3940811722 0.008180 0.147E-08
|
||
|
6 -263.3940811769 0.008179 0.108E-09
|
||
|
7 -263.3940811772 0.008179 0.680E-11
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.670288 GB ] [ VIRT MEM : 12.477322 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 109.680856 s ] [ CPU TIME: 7735.937270 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.667641 GB ] [ VIRT MEM : 12.472427 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 109.681681 s ] [ CPU TIME: 7736.047698 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.3940811772043
|
||
|
* S^2 of state 1 0.8179114684536366E-02
|
||
|
* Saved determinants 20480
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.666958 GB ] [ VIRT MEM : 12.476337 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 111.328276 s ] [ CPU TIME: 7807.933126 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 20480
|
||
|
* Number of comb teeth 95
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.666016 GB ] [ VIRT MEM : 12.472427 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 111.337121 s ] [ CPU TIME: 7809.063739 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 20480
|
||
|
* pt2_n_tasks_max 3
|
||
|
* PT2 Energy denominator -263.3940811772043
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.670410 GB ] [ VIRT MEM : 12.478436 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 111.346612 s ] [ CPU TIME: 7810.280434 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 20480
|
||
|
* Number of comb teeth 95
|
||
|
|
||
|
.. >>>>> [ RES MEM : 2.667107 GB ] [ VIRT MEM : 12.474892 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 111.349710 s ] [ CPU TIME: 7810.677189 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 20480
|
||
|
* pt2_n_tasks_max 3
|
||
|
* Number of tasks 21204
|
||
|
* Number of fragmented tasks 362
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 0.4033748790621757
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.553533 0.170E-02 0.893935 0.118E-01 0.031047 0.251E-03 5.8336
|
||
|
12 -263.552753 0.489E-03 0.887811 0.410E-02 0.030947 0.593E-04 7.5166
|
||
|
18 -263.552724 0.344E-03 0.888011 0.295E-02 0.030935 0.403E-04 9.1217
|
||
|
23 -263.552923 0.253E-03 0.889322 0.212E-02 0.030961 0.316E-04 10.3482
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
3.096450189846264E-002
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.056896 GB ] [ VIRT MEM : 12.850029 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 122.936925 s ] [ CPU TIME: 9201.002267 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 20480
|
||
|
* Number of comb teeth 95
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.056896 GB ] [ VIRT MEM : 12.850029 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 122.939259 s ] [ CPU TIME: 9201.015924 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 20480
|
||
|
* pt2_n_tasks_max 3
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.8153626905054729
|
||
|
|
||
|
Summary at N_det = 20480
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.39408118
|
||
|
# PT2 -0.15885276 0.00023497
|
||
|
# rPT2 -0.15408169 0.00022791
|
||
|
#
|
||
|
# E+PT2 -263.55293393 0.00023497
|
||
|
# E+rPT2 -263.54816287 0.00022791
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 20480
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 8.179114684536366E-003
|
||
|
E = -263.394081177204
|
||
|
Variance = 0.889371344584743 +/- 1.955207857005467E-003
|
||
|
PT norm = 0.175967331906984 +/- 8.376853812028584E-005
|
||
|
PT2 = -0.158852757575308 +/- 2.349715272887004E-004
|
||
|
rPT2 = -0.154081694648836 +/- 2.279142752791330E-004
|
||
|
E+PT2 = -263.552933934780 +/- 2.349715272887004E-004
|
||
|
E+rPT2 = -263.548162871853 +/- 2.279142752791330E-004
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.61910279468
|
||
|
Vee = 296.812960798235
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.160520598803
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.1816 -263.60518987
|
||
|
-0.2151 -263.60529067
|
||
|
-0.2527 -263.60435140
|
||
|
-0.2953 -263.60062507
|
||
|
-0.3397 -263.59600752
|
||
|
-0.3804 -263.59328285
|
||
|
-0.4197 -263.59047177
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 7941
|
||
|
* Number of unique beta determinants 7941
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.060398 GB ] [ VIRT MEM : 12.850029 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 126.216879 s ] [ CPU TIME: 9355.083655 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 40960
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 0.9919839352369308E-01
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.3940811772 0.008179 0.696E-02
|
||
|
1 -263.4230139511 0.006190 0.227E-03
|
||
|
2 -263.4234874369 0.006150 0.155E-04
|
||
|
3 -263.4235258973 0.006193 0.995E-06
|
||
|
4 -263.4235290644 0.006200 0.728E-07
|
||
|
5 -263.4235292772 0.006202 0.538E-08
|
||
|
6 -263.4235292945 0.006203 0.416E-09
|
||
|
7 -263.4235292958 0.006204 0.314E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.088612 GB ] [ VIRT MEM : 12.900333 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 126.567638 s ] [ CPU TIME: 9399.978177 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.072193 GB ] [ VIRT MEM : 12.870052 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 126.570192 s ] [ CPU TIME: 9400.309135 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.4235292957673
|
||
|
* S^2 of state 1 0.6203594911654374E-02
|
||
|
* Saved determinants 40960
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.052200 GB ] [ VIRT MEM : 12.850029 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 130.671174 s ] [ CPU TIME: 9574.110891 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 40960
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.052395 GB ] [ VIRT MEM : 12.850029 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 130.687746 s ] [ CPU TIME: 9575.846980 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 40960
|
||
|
* pt2_n_tasks_max 5
|
||
|
* PT2 Energy denominator -263.4235292957673
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.055389 GB ] [ VIRT MEM : 12.853764 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 130.701869 s ] [ CPU TIME: 9577.653815 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 40960
|
||
|
* Number of comb teeth 100
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.051655 GB ] [ VIRT MEM : 12.850029 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 130.704241 s ] [ CPU TIME: 9577.958470 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 40960
|
||
|
* pt2_n_tasks_max 5
|
||
|
* Number of tasks 47386
|
||
|
* Number of fragmented tasks 5259
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 0.7963657870888710
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.558956 0.940E-03 0.794584 0.386E-02 0.024910 0.206E-03 6.3253
|
||
|
7 -263.558955 0.485E-03 0.794102 0.484E-02 0.024929 0.104E-03 7.6210
|
||
|
9 -263.558747 0.472E-03 0.794675 0.431E-02 0.024850 0.946E-04 9.0054
|
||
|
12 -263.559094 0.452E-03 0.796921 0.418E-02 0.024907 0.666E-04 10.0937
|
||
|
14 -263.559163 0.393E-03 0.797056 0.359E-02 0.024926 0.601E-04 11.1026
|
||
|
18 -263.559647 0.421E-03 0.800924 0.336E-02 0.024986 0.644E-04 12.3409
|
||
|
20 -263.559657 0.373E-03 0.801516 0.302E-02 0.024973 0.566E-04 13.4602
|
||
|
24 -263.559676 0.331E-03 0.802620 0.279E-02 0.024956 0.496E-04 14.5927
|
||
|
28 -263.559697 0.295E-03 0.802433 0.257E-02 0.024966 0.407E-04 16.0887
|
||
|
30 -263.559902 0.303E-03 0.803760 0.254E-02 0.024999 0.424E-04 17.1318
|
||
|
33 -263.559820 0.280E-03 0.802734 0.235E-02 0.024997 0.395E-04 18.1323
|
||
|
36 -263.559744 0.289E-03 0.801921 0.235E-02 0.024991 0.401E-04 19.2473
|
||
|
41 -263.559753 0.272E-03 0.801769 0.220E-02 0.024998 0.388E-04 20.6446
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
2.499403906320288E-002
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.607761 GB ] [ VIRT MEM : 13.402447 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 152.173152 s ] [ CPU TIME: 12301.151747 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 40960
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.607761 GB ] [ VIRT MEM : 13.402447 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 152.174923 s ] [ CPU TIME: 12301.214003 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 40960
|
||
|
* pt2_n_tasks_max 5
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.8423099827153179
|
||
|
|
||
|
Summary at N_det = 40960
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.42352930
|
||
|
# PT2 -0.13621859 0.00025952
|
||
|
# rPT2 -0.13289696 0.00025320
|
||
|
#
|
||
|
# E+PT2 -263.55974789 0.00025952
|
||
|
# E+rPT2 -263.55642626 0.00025320
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 40960
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 6.203594911654374E-003
|
||
|
E = -263.423529295767
|
||
|
Variance = 0.801852790053186 +/- 2.093055128490531E-003
|
||
|
PT norm = 0.158095031747373 +/- 1.168068384298241E-004
|
||
|
PT2 = -0.136218593036725 +/- 2.595246245137581E-004
|
||
|
rPT2 = -0.132896961197182 +/- 2.531962280980206E-004
|
||
|
E+PT2 = -263.559747888804 +/- 2.595246245137581E-004
|
||
|
E+rPT2 = -263.556426256964 +/- 2.531962280980206E-004
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.59371489715
|
||
|
Vee = 296.742743777065
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.175901603876
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.1541 -263.60826447
|
||
|
-0.1816 -263.60662081
|
||
|
-0.2151 -263.60608241
|
||
|
-0.2527 -263.60517599
|
||
|
-0.2953 -263.60224548
|
||
|
-0.3397 -263.59840093
|
||
|
-0.3804 -263.59587514
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 14507
|
||
|
* Number of unique beta determinants 14508
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.609657 GB ] [ VIRT MEM : 13.398537 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 154.348968 s ] [ CPU TIME: 12446.066303 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 81920
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 0.1910411901772022
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.4235292958 0.006204 0.510E-02
|
||
|
1 -263.4466214720 0.005061 0.278E-03
|
||
|
2 -263.4470277487 0.005095 0.244E-04
|
||
|
3 -263.4470787804 0.005156 0.160E-05
|
||
|
4 -263.4470837403 0.005171 0.137E-06
|
||
|
5 -263.4470841478 0.005176 0.103E-07
|
||
|
6 -263.4470841815 0.005178 0.942E-09
|
||
|
7 -263.4470841844 0.005179 0.837E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.684082 GB ] [ VIRT MEM : 13.497669 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 155.195840 s ] [ CPU TIME: 12554.138135 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.651108 GB ] [ VIRT MEM : 13.438091 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 155.200785 s ] [ CPU TIME: 12554.772755 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.4470841843645
|
||
|
* S^2 of state 1 0.5179176006413215E-02
|
||
|
* Saved determinants 81920
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.612995 GB ] [ VIRT MEM : 13.398537 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 159.613670 s ] [ CPU TIME: 12717.786831 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 81920
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.613171 GB ] [ VIRT MEM : 13.398537 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 159.641144 s ] [ CPU TIME: 12721.299103 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 81920
|
||
|
* pt2_n_tasks_max 9
|
||
|
* PT2 Energy denominator -263.4470841843645
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.624775 GB ] [ VIRT MEM : 13.408325 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 159.666340 s ] [ CPU TIME: 12724.525481 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 81920
|
||
|
* Number of comb teeth 100
|
||
|
|
||
|
.. >>>>> [ RES MEM : 3.624775 GB ] [ VIRT MEM : 13.408325 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 159.668412 s ] [ CPU TIME: 12724.791507 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 81920
|
||
|
* pt2_n_tasks_max 9
|
||
|
* Number of tasks 96888
|
||
|
* Number of fragmented tasks 6287
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 1.582347305119038
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.566472 0.214E-02 0.733757 0.171E-01 0.020847 0.273E-03 8.8508
|
||
|
4 -263.565458 0.176E-02 0.726545 0.130E-01 0.020697 0.249E-03 10.5424
|
||
|
5 -263.565174 0.136E-02 0.725247 0.996E-02 0.020638 0.198E-03 11.9248
|
||
|
6 -263.565626 0.124E-02 0.727993 0.917E-02 0.020707 0.173E-03 13.2344
|
||
|
7 -263.565335 0.108E-02 0.724883 0.856E-02 0.020684 0.142E-03 14.6982
|
||
|
8 -263.564930 0.102E-02 0.722784 0.768E-02 0.020610 0.145E-03 15.9567
|
||
|
9 -263.564742 0.924E-03 0.720647 0.751E-02 0.020598 0.122E-03 17.2014
|
||
|
12 -263.564939 0.748E-03 0.721841 0.590E-02 0.020632 0.106E-03 19.1246
|
||
|
14 -263.565029 0.661E-03 0.722778 0.498E-02 0.020640 0.972E-04 20.7740
|
||
|
18 -263.564738 0.611E-03 0.720972 0.477E-02 0.020592 0.843E-04 22.7151
|
||
|
20 -263.564959 0.555E-03 0.722448 0.434E-02 0.020628 0.767E-04 24.8674
|
||
|
24 -263.565055 0.484E-03 0.723371 0.370E-02 0.020637 0.679E-04 26.4348
|
||
|
27 -263.565000 0.430E-03 0.723017 0.334E-02 0.020629 0.597E-04 28.2527
|
||
|
29 -263.564999 0.418E-03 0.723203 0.329E-02 0.020624 0.573E-04 29.8591
|
||
|
30 -263.564990 0.410E-03 0.723140 0.323E-02 0.020621 0.565E-04 30.8647
|
||
|
32 -263.564755 0.418E-03 0.721205 0.332E-02 0.020593 0.566E-04 32.0189
|
||
|
34 -263.564686 0.396E-03 0.720799 0.310E-02 0.020582 0.545E-04 33.2953
|
||
|
37 -263.564744 0.356E-03 0.721390 0.280E-02 0.020586 0.490E-04 34.4425
|
||
|
40 -263.564702 0.334E-03 0.721121 0.260E-02 0.020578 0.463E-04 35.7053
|
||
|
42 -263.564691 0.318E-03 0.720958 0.249E-02 0.020578 0.442E-04 36.8494
|
||
|
44 -263.564848 0.315E-03 0.722253 0.243E-02 0.020597 0.438E-04 38.0860
|
||
|
47 -263.564759 0.305E-03 0.721839 0.235E-02 0.020581 0.429E-04 39.1369
|
||
|
50 -263.564778 0.298E-03 0.721606 0.229E-02 0.020590 0.422E-04 40.4483
|
||
|
53 -263.564713 0.279E-03 0.721249 0.213E-02 0.020578 0.397E-04 41.5206
|
||
|
56 -263.564806 0.272E-03 0.721984 0.208E-02 0.020590 0.383E-04 42.6306
|
||
|
60 -263.564804 0.264E-03 0.722012 0.202E-02 0.020588 0.370E-04 43.6885
|
||
|
63 -263.564848 0.248E-03 0.722475 0.190E-02 0.020592 0.350E-04 44.8277
|
||
|
69 -263.564794 0.232E-03 0.722051 0.177E-02 0.020585 0.328E-04 46.3050
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
2.060128657148034E-002
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.745586 GB ] [ VIRT MEM : 14.574242 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 207.172052 s ] [ CPU TIME: 18772.689137 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 81920
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.745586 GB ] [ VIRT MEM : 14.574242 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 207.174924 s ] [ CPU TIME: 18772.800321 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 81920
|
||
|
* pt2_n_tasks_max 9
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.8639971134229464
|
||
|
|
||
|
Summary at N_det = 81920
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.44708418
|
||
|
# PT2 -0.11782880 0.00022713
|
||
|
# rPT2 -0.11545037 0.00022255
|
||
|
#
|
||
|
# E+PT2 -263.56491298 0.00022713
|
||
|
# E+rPT2 -263.56253455 0.00022255
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 81920
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 5.179176006413215E-003
|
||
|
E = -263.447084184364
|
||
|
Variance = 0.722913050928478 +/- 1.709411694161271E-003
|
||
|
PT norm = 0.143531482858223 +/- 1.134263017975602E-004
|
||
|
PT2 = -0.117828795129259 +/- 2.271304082561085E-004
|
||
|
rPT2 = -0.115450368992854 +/- 2.225456809084679E-004
|
||
|
E+PT2 = -263.564912979494 +/- 2.271304082561085E-004
|
||
|
E+rPT2 = -263.562534553357 +/- 2.225456809084679E-004
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.58506273826
|
||
|
Vee = 296.688162792090
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.198275541360
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.1329 -263.60295535
|
||
|
-0.1541 -263.60569732
|
||
|
-0.1816 -263.60578127
|
||
|
-0.2151 -263.60570780
|
||
|
-0.2527 -263.60514622
|
||
|
-0.2953 -263.60290049
|
||
|
-0.3397 -263.59973203
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 25243
|
||
|
* Number of unique beta determinants 25243
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.761097 GB ] [ VIRT MEM : 14.574242 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 229.751979 s ] [ CPU TIME: 18986.290248 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 163840
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 0.3621345907449722
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.4470841844 0.005179 0.395E-02
|
||
|
1 -263.4661853337 0.004899 0.297E-03
|
||
|
2 -263.4665341091 0.004960 0.262E-04
|
||
|
3 -263.4665888265 0.005010 0.158E-05
|
||
|
4 -263.4665940024 0.005025 0.181E-06
|
||
|
5 -263.4665945260 0.005028 0.193E-07
|
||
|
6 -263.4665945845 0.005031 0.202E-08
|
||
|
7 -263.4665945908 0.005032 0.192E-09
|
||
|
8 -263.4665945914 0.005032 0.158E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.914890 GB ] [ VIRT MEM : 14.771030 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 391.070620 s ] [ CPU TIME: 19419.075234 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.841682 GB ] [ VIRT MEM : 14.652859 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 391.080980 s ] [ CPU TIME: 19420.403217 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.4665945913777
|
||
|
* S^2 of state 1 0.5032000802583208E-02
|
||
|
* Saved determinants 163840
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.755985 GB ] [ VIRT MEM : 14.574242 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 396.084759 s ] [ CPU TIME: 19600.979586 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 163840
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.759434 GB ] [ VIRT MEM : 14.574242 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 396.179656 s ] [ CPU TIME: 19612.624217 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 163840
|
||
|
* pt2_n_tasks_max 17
|
||
|
* PT2 Energy denominator -263.4665945913777
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.782516 GB ] [ VIRT MEM : 14.594757 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 396.225402 s ] [ CPU TIME: 19618.478651 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 163840
|
||
|
* Number of comb teeth 100
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.782516 GB ] [ VIRT MEM : 14.594757 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 396.227883 s ] [ CPU TIME: 19618.797600 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 163840
|
||
|
* pt2_n_tasks_max 17
|
||
|
* Number of tasks 191122
|
||
|
* Number of fragmented tasks 7274
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 3.154310341179371
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.571244 0.284E-02 0.669059 0.159E-01 0.017471 0.498E-03 33.8798
|
||
|
4 -263.570924 0.202E-02 0.667107 0.121E-01 0.017410 0.336E-03 39.0590
|
||
|
5 -263.570935 0.152E-02 0.665679 0.914E-02 0.017452 0.258E-03 43.4473
|
||
|
6 -263.570756 0.124E-02 0.663751 0.753E-02 0.017444 0.208E-03 47.8801
|
||
|
7 -263.570991 0.107E-02 0.664950 0.643E-02 0.017489 0.180E-03 51.2368
|
||
|
8 -263.571504 0.107E-02 0.668027 0.672E-02 0.017578 0.177E-03 55.6633
|
||
|
9 -263.571370 0.971E-03 0.667158 0.637E-02 0.017552 0.158E-03 59.6391
|
||
|
10 -263.570818 0.104E-02 0.662740 0.737E-02 0.017479 0.160E-03 60.7475
|
||
|
11 -263.570860 0.912E-03 0.662099 0.637E-02 0.017506 0.142E-03 62.0399
|
||
|
12 -263.570584 0.877E-03 0.660009 0.618E-02 0.017470 0.135E-03 64.2176
|
||
|
13 -263.570340 0.836E-03 0.659137 0.582E-02 0.017415 0.130E-03 65.8508
|
||
|
14 -263.570295 0.777E-03 0.659252 0.556E-02 0.017399 0.117E-03 69.4393
|
||
|
15 -263.570023 0.774E-03 0.657264 0.555E-02 0.017359 0.116E-03 70.9645
|
||
|
17 -263.570062 0.673E-03 0.657467 0.477E-02 0.017362 0.104E-03 72.0795
|
||
|
18 -263.570047 0.634E-03 0.656813 0.455E-02 0.017372 0.980E-04 74.1566
|
||
|
19 -263.569979 0.601E-03 0.656419 0.433E-02 0.017360 0.947E-04 77.1627
|
||
|
20 -263.570085 0.579E-03 0.657238 0.416E-02 0.017379 0.902E-04 80.0010
|
||
|
22 -263.570253 0.539E-03 0.658021 0.381E-02 0.017413 0.854E-04 82.0359
|
||
|
24 -263.570055 0.544E-03 0.656776 0.373E-02 0.017379 0.881E-04 84.8648
|
||
|
25 -263.570186 0.538E-03 0.657768 0.371E-02 0.017400 0.870E-04 85.9825
|
||
|
27 -263.570289 0.510E-03 0.659108 0.355E-02 0.017401 0.810E-04 89.6322
|
||
|
28 -263.570320 0.492E-03 0.659738 0.348E-02 0.017398 0.781E-04 92.0368
|
||
|
29 -263.570306 0.470E-03 0.659679 0.335E-02 0.017396 0.736E-04 94.1031
|
||
|
30 -263.570395 0.460E-03 0.660484 0.327E-02 0.017404 0.715E-04 96.3647
|
||
|
32 -263.570316 0.432E-03 0.660023 0.305E-02 0.017390 0.680E-04 99.1762
|
||
|
33 -263.570287 0.420E-03 0.660044 0.296E-02 0.017382 0.664E-04 100.2031
|
||
|
34 -263.570285 0.418E-03 0.659861 0.293E-02 0.017385 0.662E-04 102.2494
|
||
|
35 -263.570265 0.407E-03 0.659621 0.286E-02 0.017383 0.643E-04 103.3708
|
||
|
37 -263.570125 0.399E-03 0.658536 0.287E-02 0.017365 0.616E-04 105.3335
|
||
|
39 -263.570363 0.411E-03 0.660201 0.299E-02 0.017401 0.618E-04 106.3760
|
||
|
40 -263.570353 0.397E-03 0.660232 0.288E-02 0.017397 0.603E-04 107.8298
|
||
|
41 -263.570287 0.393E-03 0.659713 0.286E-02 0.017388 0.595E-04 109.6159
|
||
|
42 -263.570282 0.383E-03 0.659839 0.279E-02 0.017384 0.582E-04 111.1884
|
||
|
43 -263.570273 0.382E-03 0.659987 0.281E-02 0.017378 0.571E-04 112.5502
|
||
|
45 -263.570221 0.359E-03 0.659876 0.267E-02 0.017366 0.536E-04 114.3741
|
||
|
47 -263.570152 0.358E-03 0.659291 0.277E-02 0.017358 0.518E-04 115.9766
|
||
|
49 -263.570257 0.363E-03 0.660011 0.279E-02 0.017373 0.527E-04 117.5008
|
||
|
50 -263.570270 0.356E-03 0.660105 0.274E-02 0.017375 0.516E-04 118.9782
|
||
|
52 -263.570193 0.352E-03 0.659541 0.267E-02 0.017365 0.510E-04 120.5554
|
||
|
53 -263.570100 0.357E-03 0.658803 0.273E-02 0.017353 0.515E-04 121.7617
|
||
|
55 -263.570136 0.346E-03 0.659130 0.266E-02 0.017356 0.494E-04 123.0963
|
||
|
58 -263.570072 0.326E-03 0.658706 0.248E-02 0.017346 0.467E-04 124.4957
|
||
|
61 -263.569924 0.322E-03 0.657468 0.245E-02 0.017328 0.456E-04 125.9094
|
||
|
62 -263.569926 0.317E-03 0.657457 0.241E-02 0.017329 0.449E-04 126.9408
|
||
|
64 -263.569889 0.309E-03 0.657228 0.235E-02 0.017323 0.438E-04 128.2783
|
||
|
68 -263.569778 0.293E-03 0.656318 0.227E-02 0.017309 0.408E-04 130.1001
|
||
|
70 -263.569779 0.286E-03 0.656329 0.223E-02 0.017308 0.398E-04 131.3360
|
||
|
71 -263.569770 0.281E-03 0.656183 0.219E-02 0.017310 0.389E-04 132.5064
|
||
|
74 -263.569730 0.272E-03 0.655994 0.211E-02 0.017302 0.379E-04 133.9876
|
||
|
76 -263.569810 0.271E-03 0.656514 0.210E-02 0.017314 0.373E-04 134.9884
|
||
|
78 -263.569808 0.266E-03 0.656466 0.206E-02 0.017315 0.368E-04 136.8221
|
||
|
80 -263.569863 0.263E-03 0.656885 0.204E-02 0.017322 0.364E-04 138.3569
|
||
|
83 -263.569866 0.267E-03 0.656821 0.207E-02 0.017325 0.366E-04 139.4288
|
||
|
85 -263.569860 0.262E-03 0.656804 0.205E-02 0.017323 0.356E-04 140.8738
|
||
|
86 -263.569854 0.259E-03 0.656737 0.203E-02 0.017323 0.351E-04 141.9314
|
||
|
89 -263.569845 0.250E-03 0.656534 0.196E-02 0.017324 0.340E-04 143.5456
|
||
|
91 -263.569808 0.248E-03 0.656297 0.195E-02 0.017319 0.337E-04 144.6464
|
||
|
93 -263.569889 0.255E-03 0.656749 0.199E-02 0.017333 0.346E-04 145.9981
|
||
|
96 -263.569898 0.254E-03 0.656755 0.198E-02 0.017335 0.345E-04 147.1189
|
||
|
98 -263.569868 0.256E-03 0.656539 0.198E-02 0.017331 0.350E-04 148.1516
|
||
|
101 -263.569852 0.252E-03 0.656425 0.195E-02 0.017329 0.345E-04 149.2818
|
||
|
103 -263.569815 0.250E-03 0.656147 0.193E-02 0.017323 0.342E-04 150.3658
|
||
|
105 -263.569797 0.245E-03 0.656092 0.191E-02 0.017320 0.333E-04 151.9008
|
||
|
110 -263.569742 0.240E-03 0.655711 0.186E-02 0.017312 0.328E-04 153.3140
|
||
|
111 -263.569750 0.238E-03 0.655819 0.185E-02 0.017313 0.325E-04 154.3180
|
||
|
114 -263.569821 0.243E-03 0.656401 0.190E-02 0.017322 0.327E-04 155.4609
|
||
|
118 -263.569868 0.237E-03 0.656748 0.188E-02 0.017328 0.317E-04 156.9506
|
||
|
120 -263.569840 0.235E-03 0.656536 0.185E-02 0.017324 0.315E-04 158.0620
|
||
|
123 -263.569857 0.231E-03 0.656698 0.182E-02 0.017326 0.309E-04 159.9990
|
||
|
125 -263.569863 0.227E-03 0.656753 0.179E-02 0.017327 0.304E-04 161.5788
|
||
|
126 -263.569825 0.225E-03 0.656453 0.177E-02 0.017322 0.303E-04 162.7496
|
||
|
129 -263.569878 0.225E-03 0.656913 0.177E-02 0.017328 0.304E-04 163.7874
|
||
|
132 -263.569872 0.222E-03 0.656815 0.174E-02 0.017328 0.298E-04 164.7993
|
||
|
135 -263.569876 0.217E-03 0.656860 0.171E-02 0.017328 0.292E-04 165.9892
|
||
|
137 -263.569900 0.216E-03 0.657080 0.171E-02 0.017330 0.290E-04 167.3271
|
||
|
139 -263.569893 0.216E-03 0.656984 0.170E-02 0.017330 0.290E-04 168.5838
|
||
|
142 -263.569923 0.212E-03 0.657195 0.167E-02 0.017335 0.287E-04 169.6465
|
||
|
144 -263.569909 0.211E-03 0.657039 0.166E-02 0.017334 0.284E-04 170.7496
|
||
|
147 -263.569925 0.204E-03 0.657219 0.161E-02 0.017335 0.273E-04 172.3750
|
||
|
149 -263.569895 0.202E-03 0.656969 0.160E-02 0.017331 0.271E-04 173.4471
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
1.733339187758343E-002
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.084663 GB ] [ VIRT MEM : 14.844372 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 570.767797 s ] [ CPU TIME: 41834.762138 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 163840
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.084663 GB ] [ VIRT MEM : 14.844372 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 570.770970 s ] [ CPU TIME: 41834.765192 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 163840
|
||
|
* pt2_n_tasks_max 17
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.8811512682395906
|
||
|
|
||
|
Summary at N_det = 163840
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.46659459
|
||
|
# PT2 -0.10331629 0.00020158
|
||
|
# rPT2 -0.10155598 0.00019815
|
||
|
#
|
||
|
# E+PT2 -263.56991088 0.00020158
|
||
|
# E+rPT2 -263.56815057 0.00019815
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 163840
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 5.032000802583208E-003
|
||
|
E = -263.466594591378
|
||
|
Variance = 0.657079747457142 +/- 1.595270884624587E-003
|
||
|
PT norm = 0.131656340058439 +/- 1.024261194254844E-004
|
||
|
PT2 = -0.103316285641149 +/- 2.015840560037619E-004
|
||
|
rPT2 = -0.101555976109729 +/- 1.981494538695125E-004
|
||
|
E+PT2 = -263.569910877019 +/- 2.015840560037619E-004
|
||
|
E+rPT2 = -263.568150567487 +/- 1.981494538695125E-004
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.58330363019
|
||
|
Vee = 296.642432448902
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.222736369466
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.1155 -263.60919877
|
||
|
-0.1329 -263.60588498
|
||
|
-0.1541 -263.60636773
|
||
|
-0.1816 -263.60617859
|
||
|
-0.2151 -263.60599853
|
||
|
-0.2527 -263.60548511
|
||
|
-0.2953 -263.60360857
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 44051
|
||
|
* Number of unique beta determinants 44050
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.201267 GB ] [ VIRT MEM : 14.946548 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 617.158977 s ] [ CPU TIME: 42104.843306 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 327680
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 0.6903487294912338
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.4665945914 0.005032 0.325E-02
|
||
|
1 -263.4832456058 0.004727 0.296E-03
|
||
|
2 -263.4835709846 0.004799 0.212E-04
|
||
|
3 -263.4836208379 0.004850 0.180E-05
|
||
|
4 -263.4836265986 0.004874 0.269E-06
|
||
|
5 -263.4836273820 0.004881 0.332E-07
|
||
|
6 -263.4836274835 0.004884 0.398E-08
|
||
|
7 -263.4836274962 0.004885 0.410E-09
|
||
|
8 -263.4836274976 0.004885 0.407E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.500027 GB ] [ VIRT MEM : 15.338650 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 1018.313856 s ] [ CPU TIME: 42837.602093 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.197258 GB ] [ VIRT MEM : 14.946548 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 1018.347952 s ] [ CPU TIME: 42841.964199 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.4836274976310
|
||
|
* S^2 of state 1 0.4885409252704473E-02
|
||
|
* Saved determinants 327680
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.187222 GB ] [ VIRT MEM : 14.946548 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 1025.903393 s ] [ CPU TIME: 43036.123486 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 327680
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.194252 GB ] [ VIRT MEM : 14.946548 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 1026.151008 s ] [ CPU TIME: 43065.392999 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 327680
|
||
|
* pt2_n_tasks_max 33
|
||
|
* PT2 Energy denominator -263.4836274976310
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.234112 GB ] [ VIRT MEM : 14.986595 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 1026.270091 s ] [ CPU TIME: 43080.636571 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 327680
|
||
|
* Number of comb teeth 100
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.235153 GB ] [ VIRT MEM : 14.986595 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 1026.275598 s ] [ CPU TIME: 43081.339772 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 327680
|
||
|
* pt2_n_tasks_max 33
|
||
|
* Number of tasks 372276
|
||
|
* Number of fragmented tasks 8139
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 6.298236413300037
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.573140 0.260E-02 0.583175 0.233E-01 0.014565 0.292E-03 76.6127
|
||
|
4 -263.574236 0.213E-02 0.592413 0.185E-01 0.014693 0.246E-03 87.6359
|
||
|
5 -263.574147 0.162E-02 0.592257 0.139E-01 0.014678 0.188E-03 97.6175
|
||
|
6 -263.575249 0.175E-02 0.599699 0.138E-01 0.014844 0.233E-03 108.1296
|
||
|
7 -263.574979 0.150E-02 0.598109 0.117E-01 0.014807 0.199E-03 116.7007
|
||
|
8 -263.574672 0.131E-02 0.596858 0.977E-02 0.014743 0.188E-03 125.7493
|
||
|
9 -263.574545 0.115E-02 0.595538 0.874E-02 0.014732 0.163E-03 134.6461
|
||
|
10 -263.574191 0.109E-02 0.592766 0.842E-02 0.014684 0.151E-03 137.6653
|
||
|
11 -263.574620 0.107E-02 0.595250 0.810E-02 0.014762 0.155E-03 139.5247
|
||
|
12 -263.574731 0.979E-03 0.596281 0.745E-02 0.014770 0.142E-03 145.3519
|
||
|
13 -263.575038 0.935E-03 0.599370 0.735E-02 0.014801 0.133E-03 148.0371
|
||
|
14 -263.574940 0.890E-03 0.599028 0.683E-02 0.014778 0.130E-03 154.9676
|
||
|
15 -263.574825 0.835E-03 0.598551 0.637E-02 0.014751 0.124E-03 158.4361
|
||
|
17 -263.574840 0.742E-03 0.598789 0.561E-02 0.014749 0.111E-03 161.3206
|
||
|
18 -263.574748 0.722E-03 0.598210 0.541E-02 0.014734 0.108E-03 164.7923
|
||
|
19 -263.574862 0.692E-03 0.599204 0.521E-02 0.014746 0.103E-03 172.0160
|
||
|
20 -263.575074 0.700E-03 0.600857 0.528E-02 0.014777 0.103E-03 178.1661
|
||
|
21 -263.574957 0.676E-03 0.599984 0.510E-02 0.014760 0.996E-04 179.8912
|
||
|
22 -263.575120 0.665E-03 0.601287 0.503E-02 0.014781 0.972E-04 181.6884
|
||
|
23 -263.574945 0.647E-03 0.599966 0.489E-02 0.014759 0.950E-04 184.0373
|
||
|
24 -263.575040 0.626E-03 0.600266 0.469E-02 0.014781 0.936E-04 187.4571
|
||
|
25 -263.575072 0.608E-03 0.600190 0.458E-02 0.014794 0.895E-04 190.0754
|
||
|
26 -263.575020 0.586E-03 0.599772 0.442E-02 0.014788 0.861E-04 191.3408
|
||
|
27 -263.575247 0.608E-03 0.601566 0.462E-02 0.014817 0.880E-04 197.0847
|
||
|
28 -263.575199 0.589E-03 0.601085 0.446E-02 0.014813 0.850E-04 202.2848
|
||
|
29 -263.575009 0.600E-03 0.599794 0.449E-02 0.014784 0.872E-04 207.0032
|
||
|
30 -263.575110 0.591E-03 0.601020 0.460E-02 0.014790 0.836E-04 211.4945
|
||
|
31 -263.574864 0.619E-03 0.598932 0.487E-02 0.014761 0.855E-04 213.7494
|
||
|
32 -263.574912 0.601E-03 0.599453 0.475E-02 0.014765 0.829E-04 217.6839
|
||
|
33 -263.574885 0.583E-03 0.599300 0.460E-02 0.014760 0.805E-04 219.8603
|
||
|
34 -263.575080 0.585E-03 0.601313 0.479E-02 0.014778 0.785E-04 224.7315
|
||
|
35 -263.574979 0.577E-03 0.600543 0.471E-02 0.014764 0.775E-04 227.0943
|
||
|
36 -263.575124 0.586E-03 0.601815 0.484E-02 0.014781 0.775E-04 228.8827
|
||
|
37 -263.575064 0.573E-03 0.601280 0.474E-02 0.014775 0.756E-04 230.4705
|
||
|
38 -263.574998 0.560E-03 0.600657 0.465E-02 0.014768 0.734E-04 232.2641
|
||
|
39 -263.575011 0.546E-03 0.600616 0.453E-02 0.014772 0.715E-04 234.5541
|
||
|
40 -263.575111 0.541E-03 0.601382 0.448E-02 0.014785 0.710E-04 236.2416
|
||
|
41 -263.575058 0.535E-03 0.600994 0.443E-02 0.014778 0.701E-04 239.5556
|
||
|
42 -263.575038 0.522E-03 0.600897 0.432E-02 0.014774 0.685E-04 242.9873
|
||
|
43 -263.575100 0.514E-03 0.601397 0.425E-02 0.014782 0.674E-04 246.6814
|
||
|
44 -263.575110 0.497E-03 0.601443 0.411E-02 0.014784 0.652E-04 247.9411
|
||
|
45 -263.575056 0.489E-03 0.601077 0.404E-02 0.014777 0.642E-04 249.7508
|
||
|
46 -263.575004 0.481E-03 0.600588 0.398E-02 0.014771 0.630E-04 251.1254
|
||
|
47 -263.574956 0.471E-03 0.600140 0.388E-02 0.014765 0.620E-04 254.7160
|
||
|
49 -263.574864 0.459E-03 0.599565 0.377E-02 0.014750 0.607E-04 256.7599
|
||
|
50 -263.574915 0.454E-03 0.599873 0.372E-02 0.014759 0.602E-04 260.3834
|
||
|
51 -263.574855 0.450E-03 0.599381 0.368E-02 0.014752 0.595E-04 261.6864
|
||
|
52 -263.574748 0.454E-03 0.598661 0.368E-02 0.014735 0.607E-04 263.3743
|
||
|
54 -263.574715 0.441E-03 0.598391 0.359E-02 0.014731 0.588E-04 266.3222
|
||
|
55 -263.574721 0.433E-03 0.598284 0.353E-02 0.014735 0.579E-04 267.5222
|
||
|
56 -263.574755 0.422E-03 0.598567 0.340E-02 0.014738 0.570E-04 271.0403
|
||
|
60 -263.574910 0.400E-03 0.599567 0.323E-02 0.014763 0.538E-04 272.7834
|
||
|
61 -263.574939 0.394E-03 0.599735 0.318E-02 0.014768 0.531E-04 274.1517
|
||
|
62 -263.574996 0.395E-03 0.600082 0.318E-02 0.014778 0.533E-04 275.2223
|
||
|
63 -263.574979 0.389E-03 0.599862 0.314E-02 0.014777 0.525E-04 277.6181
|
||
|
64 -263.575022 0.386E-03 0.600214 0.311E-02 0.014782 0.520E-04 278.7217
|
||
|
67 -263.574986 0.388E-03 0.599969 0.313E-02 0.014777 0.520E-04 280.1334
|
||
|
68 -263.574999 0.382E-03 0.600157 0.309E-02 0.014776 0.512E-04 282.0359
|
||
|
69 -263.574950 0.380E-03 0.599779 0.307E-02 0.014770 0.508E-04 283.9764
|
||
|
71 -263.574928 0.371E-03 0.599674 0.300E-02 0.014766 0.495E-04 286.5261
|
||
|
73 -263.574892 0.362E-03 0.599366 0.293E-02 0.014761 0.486E-04 288.1117
|
||
|
74 -263.574862 0.367E-03 0.599132 0.295E-02 0.014758 0.493E-04 289.4261
|
||
|
75 -263.574840 0.362E-03 0.598973 0.291E-02 0.014755 0.487E-04 290.7356
|
||
|
76 -263.574846 0.358E-03 0.599014 0.288E-02 0.014756 0.481E-04 292.9790
|
||
|
77 -263.574777 0.360E-03 0.598561 0.287E-02 0.014745 0.486E-04 294.1242
|
||
|
78 -263.574742 0.357E-03 0.598253 0.285E-02 0.014741 0.481E-04 295.7379
|
||
|
80 -263.574762 0.349E-03 0.598510 0.277E-02 0.014741 0.473E-04 298.8824
|
||
|
81 -263.574803 0.347E-03 0.598935 0.277E-02 0.014746 0.469E-04 299.9432
|
||
|
82 -263.574820 0.346E-03 0.599132 0.277E-02 0.014747 0.465E-04 301.4075
|
||
|
84 -263.574760 0.340E-03 0.598635 0.272E-02 0.014739 0.457E-04 303.2244
|
||
|
85 -263.574800 0.339E-03 0.598892 0.270E-02 0.014745 0.456E-04 304.4102
|
||
|
86 -263.574817 0.335E-03 0.598978 0.267E-02 0.014749 0.452E-04 306.0516
|
||
|
87 -263.574803 0.331E-03 0.598813 0.265E-02 0.014748 0.447E-04 308.4075
|
||
|
89 -263.574824 0.329E-03 0.599028 0.263E-02 0.014750 0.445E-04 310.1207
|
||
|
90 -263.574810 0.326E-03 0.598993 0.260E-02 0.014747 0.442E-04 311.3617
|
||
|
91 -263.574791 0.323E-03 0.598811 0.258E-02 0.014745 0.437E-04 312.5894
|
||
|
92 -263.574787 0.323E-03 0.598733 0.259E-02 0.014745 0.435E-04 313.9214
|
||
|
93 -263.574767 0.320E-03 0.598701 0.256E-02 0.014740 0.432E-04 315.6262
|
||
|
95 -263.574835 0.318E-03 0.599231 0.254E-02 0.014749 0.429E-04 317.0218
|
||
|
97 -263.574819 0.313E-03 0.599155 0.249E-02 0.014747 0.424E-04 320.2873
|
||
|
100 -263.574854 0.303E-03 0.599467 0.242E-02 0.014751 0.410E-04 321.8859
|
||
|
103 -263.574827 0.296E-03 0.599218 0.236E-02 0.014748 0.401E-04 324.9673
|
||
|
104 -263.574812 0.293E-03 0.599162 0.233E-02 0.014745 0.398E-04 326.8662
|
||
|
105 -263.574823 0.289E-03 0.599306 0.229E-02 0.014745 0.395E-04 329.3678
|
||
|
109 -263.574835 0.284E-03 0.599335 0.225E-02 0.014748 0.389E-04 331.3880
|
||
|
111 -263.574759 0.288E-03 0.598741 0.227E-02 0.014738 0.393E-04 333.0798
|
||
|
112 -263.574788 0.286E-03 0.598956 0.226E-02 0.014742 0.392E-04 334.2276
|
||
|
113 -263.574777 0.285E-03 0.598935 0.225E-02 0.014739 0.389E-04 335.7261
|
||
|
114 -263.574735 0.286E-03 0.598604 0.225E-02 0.014734 0.390E-04 337.0386
|
||
|
115 -263.574715 0.284E-03 0.598388 0.225E-02 0.014732 0.386E-04 339.4679
|
||
|
120 -263.574698 0.279E-03 0.598275 0.220E-02 0.014730 0.381E-04 342.2959
|
||
|
121 -263.574688 0.277E-03 0.598204 0.219E-02 0.014729 0.379E-04 343.4672
|
||
|
123 -263.574621 0.277E-03 0.597734 0.218E-02 0.014719 0.379E-04 346.7163
|
||
|
124 -263.574588 0.272E-03 0.597379 0.214E-02 0.014717 0.374E-04 348.3210
|
||
|
125 -263.574577 0.270E-03 0.597258 0.213E-02 0.014716 0.371E-04 349.4998
|
||
|
126 -263.574554 0.269E-03 0.597064 0.212E-02 0.014713 0.369E-04 352.3844
|
||
|
129 -263.574537 0.263E-03 0.596911 0.207E-02 0.014711 0.361E-04 354.3991
|
||
|
131 -263.574517 0.255E-03 0.596781 0.200E-02 0.014708 0.351E-04 355.7410
|
||
|
133 -263.574543 0.255E-03 0.596942 0.200E-02 0.014713 0.349E-04 357.1546
|
||
|
135 -263.574530 0.251E-03 0.596777 0.198E-02 0.014712 0.345E-04 360.4891
|
||
|
137 -263.574530 0.248E-03 0.596823 0.196E-02 0.014711 0.340E-04 361.7650
|
||
|
139 -263.574562 0.243E-03 0.597035 0.192E-02 0.014716 0.331E-04 363.2890
|
||
|
141 -263.574566 0.241E-03 0.597063 0.190E-02 0.014716 0.328E-04 364.7242
|
||
|
142 -263.574564 0.239E-03 0.597054 0.189E-02 0.014716 0.326E-04 366.0524
|
||
|
143 -263.574563 0.237E-03 0.597056 0.187E-02 0.014716 0.323E-04 367.7154
|
||
|
144 -263.574563 0.236E-03 0.597050 0.186E-02 0.014716 0.321E-04 368.7497
|
||
|
146 -263.574542 0.234E-03 0.596969 0.184E-02 0.014712 0.319E-04 370.1682
|
||
|
147 -263.574525 0.231E-03 0.596844 0.184E-02 0.014710 0.315E-04 373.2463
|
||
|
151 -263.574524 0.227E-03 0.596852 0.180E-02 0.014709 0.310E-04 375.9883
|
||
|
152 -263.574511 0.226E-03 0.596767 0.179E-02 0.014707 0.308E-04 377.3545
|
||
|
153 -263.574520 0.225E-03 0.596835 0.178E-02 0.014709 0.306E-04 378.8201
|
||
|
154 -263.574519 0.223E-03 0.596833 0.177E-02 0.014708 0.304E-04 380.3371
|
||
|
155 -263.574532 0.222E-03 0.596949 0.176E-02 0.014710 0.303E-04 381.4117
|
||
|
156 -263.574566 0.224E-03 0.597161 0.177E-02 0.014716 0.304E-04 384.2800
|
||
|
159 -263.574594 0.221E-03 0.597371 0.175E-02 0.014720 0.300E-04 385.6652
|
||
|
160 -263.574607 0.220E-03 0.597493 0.174E-02 0.014721 0.299E-04 386.9191
|
||
|
162 -263.574634 0.219E-03 0.597694 0.174E-02 0.014725 0.297E-04 388.5646
|
||
|
163 -263.574640 0.218E-03 0.597710 0.173E-02 0.014726 0.295E-04 389.8858
|
||
|
165 -263.574630 0.215E-03 0.597585 0.170E-02 0.014726 0.291E-04 390.9709
|
||
|
167 -263.574619 0.213E-03 0.597486 0.169E-02 0.014724 0.288E-04 392.4985
|
||
|
169 -263.574595 0.211E-03 0.597311 0.168E-02 0.014721 0.287E-04 394.5737
|
||
|
170 -263.574591 0.210E-03 0.597280 0.167E-02 0.014720 0.285E-04 396.3980
|
||
|
171 -263.574607 0.210E-03 0.597346 0.166E-02 0.014723 0.285E-04 397.4865
|
||
|
172 -263.574585 0.206E-03 0.597271 0.163E-02 0.014718 0.281E-04 399.7974
|
||
|
175 -263.574599 0.205E-03 0.597338 0.162E-02 0.014721 0.279E-04 402.1550
|
||
|
176 -263.574605 0.203E-03 0.597396 0.161E-02 0.014722 0.278E-04 403.2518
|
||
|
177 -263.574628 0.204E-03 0.597580 0.161E-02 0.014725 0.278E-04 404.9971
|
||
|
181 -263.574637 0.200E-03 0.597643 0.159E-02 0.014726 0.272E-04 406.9679
|
||
|
182 -263.574613 0.199E-03 0.597496 0.159E-02 0.014722 0.269E-04 408.5827
|
||
|
184 -263.574591 0.198E-03 0.597334 0.158E-02 0.014719 0.267E-04 413.1577
|
||
|
190 -263.574592 0.192E-03 0.597205 0.153E-02 0.014721 0.260E-04 414.2728
|
||
|
191 -263.574591 0.191E-03 0.597232 0.152E-02 0.014721 0.259E-04 416.1434
|
||
|
193 -263.574590 0.190E-03 0.597237 0.152E-02 0.014720 0.256E-04 417.3746
|
||
|
194 -263.574574 0.190E-03 0.597103 0.151E-02 0.014719 0.256E-04 418.6105
|
||
|
196 -263.574612 0.190E-03 0.597335 0.151E-02 0.014725 0.258E-04 420.2533
|
||
|
198 -263.574636 0.190E-03 0.597496 0.151E-02 0.014728 0.257E-04 422.1521
|
||
|
201 -263.574650 0.187E-03 0.597641 0.149E-02 0.014729 0.254E-04 423.5175
|
||
|
203 -263.574636 0.185E-03 0.597534 0.147E-02 0.014727 0.252E-04 424.9902
|
||
|
205 -263.574636 0.184E-03 0.597528 0.146E-02 0.014727 0.249E-04 426.4298
|
||
|
207 -263.574627 0.182E-03 0.597489 0.145E-02 0.014726 0.248E-04 428.3071
|
||
|
210 -263.574581 0.177E-03 0.597117 0.141E-02 0.014720 0.241E-04 429.5653
|
||
|
211 -263.574592 0.177E-03 0.597204 0.140E-02 0.014721 0.241E-04 430.5722
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
1.472077646602672E-002
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 7.997147 GB ] [ VIRT MEM : 18.151268 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 1459.515472 s ] [ CPU TIME: 98313.168841 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 327680
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 7.997147 GB ] [ VIRT MEM : 18.151268 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 1459.522089 s ] [ CPU TIME: 98313.175349 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 327680
|
||
|
* pt2_n_tasks_max 33
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.8957205313930074
|
||
|
|
||
|
Summary at N_det = 327680
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.48362750
|
||
|
# PT2 -0.09095976 0.00017542
|
||
|
# rPT2 -0.08964018 0.00017287
|
||
|
#
|
||
|
# E+PT2 -263.57458725 0.00017542
|
||
|
# E+rPT2 -263.57326768 0.00017287
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 327680
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 4.885409252704473E-003
|
||
|
E = -263.483627497631
|
||
|
Variance = 0.597184988150418 +/- 1.391191087388981E-003
|
||
|
PT norm = 0.121329206978480 +/- 9.837304400600732E-005
|
||
|
PT2 = -9.095975620056637E-002 +/- 1.754170059835580E-004
|
||
|
rPT2 = -8.964018310273728E-002 +/- 1.728721930721511E-004
|
||
|
E+PT2 = -263.574587253832 +/- 1.754170059835580E-004
|
||
|
E+rPT2 = -263.573267680734 +/- 1.728721930721511E-004
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.57996825832
|
||
|
Vee = 296.599896126429
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.244904413814
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.1016 -263.61176272
|
||
|
-0.1155 -263.61045772
|
||
|
-0.1329 -263.60785903
|
||
|
-0.1541 -263.60748064
|
||
|
-0.1816 -263.60698029
|
||
|
-0.2151 -263.60661379
|
||
|
-0.2527 -263.60605422
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 76440
|
||
|
* Number of unique beta determinants 76433
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.841171 GB ] [ VIRT MEM : 14.543335 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 1578.186939 s ] [ CPU TIME: 98724.625821 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 655360
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 1.319340828806162
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.4836274976 0.004885 0.277E-02
|
||
|
1 -263.4985475708 0.004608 0.211E-03
|
||
|
2 -263.4988274133 0.004660 0.125E-04
|
||
|
3 -263.4988613225 0.004699 0.165E-05
|
||
|
4 -263.4988665025 0.004711 0.221E-06
|
||
|
5 -263.4988672617 0.004710 0.309E-07
|
||
|
6 -263.4988673679 0.004710 0.492E-08
|
||
|
7 -263.4988673834 0.004710 0.648E-09
|
||
|
8 -263.4988673856 0.004710 0.853E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.437626 GB ] [ VIRT MEM : 15.317310 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 2629.512653 s ] [ CPU TIME: 100335.871637 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.832123 GB ] [ VIRT MEM : 14.534584 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 2629.571068 s ] [ CPU TIME: 100343.345879 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.4988673856029
|
||
|
* S^2 of state 1 0.4710002470395367E-02
|
||
|
* Saved determinants 655360
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.817772 GB ] [ VIRT MEM : 14.530857 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 2637.421691 s ] [ CPU TIME: 100497.306614 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 655360
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.798008 GB ] [ VIRT MEM : 14.497612 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 2637.817736 s ] [ CPU TIME: 100547.999506 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 655360
|
||
|
* pt2_n_tasks_max 66
|
||
|
* PT2 Energy denominator -263.4988673856029
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.872185 GB ] [ VIRT MEM : 14.572811 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 2638.031609 s ] [ CPU TIME: 100575.372768 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 655360
|
||
|
* Number of comb teeth 100
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.872185 GB ] [ VIRT MEM : 14.572811 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 2638.040316 s ] [ CPU TIME: 100576.488303 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 655360
|
||
|
* pt2_n_tasks_max 66
|
||
|
* Number of tasks 744077
|
||
|
* Number of fragmented tasks 9053
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 12.58615487515926
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.576330 0.283E-02 0.516441 0.213E-01 0.012262 0.394E-03 167.1734
|
||
|
4 -263.577970 0.264E-02 0.530741 0.217E-01 0.012461 0.339E-03 190.0656
|
||
|
5 -263.577052 0.222E-02 0.524841 0.175E-01 0.012308 0.306E-03 210.2680
|
||
|
6 -263.577639 0.189E-02 0.531203 0.156E-01 0.012349 0.250E-03 232.6585
|
||
|
7 -263.578719 0.196E-02 0.539582 0.160E-01 0.012501 0.259E-03 247.6955
|
||
|
8 -263.579127 0.174E-02 0.541559 0.139E-01 0.012578 0.236E-03 268.0937
|
||
|
9 -263.578932 0.156E-02 0.540185 0.125E-01 0.012552 0.211E-03 287.9027
|
||
|
10 -263.578395 0.149E-02 0.536313 0.119E-01 0.012475 0.201E-03 292.8306
|
||
|
11 -263.578433 0.135E-02 0.535756 0.107E-01 0.012499 0.183E-03 299.0368
|
||
|
12 -263.578407 0.123E-02 0.534611 0.100E-01 0.012514 0.164E-03 309.4501
|
||
|
13 -263.578328 0.113E-02 0.534067 0.922E-02 0.012500 0.151E-03 315.2203
|
||
|
14 -263.578061 0.106E-02 0.531826 0.856E-02 0.012469 0.141E-03 326.9115
|
||
|
15 -263.578271 0.100E-02 0.533846 0.822E-02 0.012489 0.133E-03 335.4099
|
||
|
17 -263.578367 0.887E-03 0.534559 0.729E-02 0.012504 0.117E-03 342.1578
|
||
|
18 -263.578201 0.852E-03 0.533240 0.700E-02 0.012481 0.113E-03 349.1486
|
||
|
19 -263.578131 0.802E-03 0.532362 0.667E-02 0.012477 0.105E-03 365.1358
|
||
|
20 -263.578126 0.760E-03 0.532880 0.634E-02 0.012465 0.101E-03 378.0432
|
||
|
21 -263.578247 0.723E-03 0.534320 0.604E-02 0.012472 0.958E-04 380.1426
|
||
|
22 -263.578184 0.692E-03 0.534143 0.576E-02 0.012459 0.922E-04 385.2519
|
||
|
23 -263.578126 0.663E-03 0.533308 0.556E-02 0.012458 0.881E-04 389.9543
|
||
|
24 -263.578105 0.620E-03 0.533315 0.509E-02 0.012451 0.846E-04 400.0898
|
||
|
25 -263.578231 0.608E-03 0.534348 0.499E-02 0.012469 0.831E-04 403.7827
|
||
|
26 -263.578186 0.585E-03 0.534338 0.479E-02 0.012457 0.808E-04 406.3409
|
||
|
27 -263.578267 0.561E-03 0.535187 0.462E-02 0.012462 0.768E-04 421.2731
|
||
|
28 -263.578150 0.553E-03 0.534568 0.449E-02 0.012442 0.768E-04 433.6755
|
||
|
29 -263.578037 0.551E-03 0.533580 0.450E-02 0.012428 0.758E-04 443.9962
|
||
|
30 -263.578027 0.538E-03 0.533678 0.448E-02 0.012426 0.724E-04 456.1735
|
||
|
31 -263.577855 0.544E-03 0.532372 0.450E-02 0.012402 0.731E-04 458.3078
|
||
|
32 -263.577834 0.524E-03 0.532282 0.434E-02 0.012397 0.705E-04 466.7593
|
||
|
33 -263.577871 0.509E-03 0.532758 0.423E-02 0.012399 0.683E-04 471.4021
|
||
|
34 -263.577865 0.494E-03 0.532448 0.411E-02 0.012402 0.664E-04 481.6137
|
||
|
35 -263.577926 0.479E-03 0.533116 0.403E-02 0.012407 0.641E-04 485.1338
|
||
|
36 -263.577895 0.466E-03 0.532939 0.392E-02 0.012402 0.626E-04 491.3033
|
||
|
37 -263.577851 0.461E-03 0.532673 0.384E-02 0.012395 0.622E-04 493.9035
|
||
|
38 -263.577773 0.455E-03 0.531968 0.380E-02 0.012386 0.611E-04 496.4936
|
||
|
39 -263.577820 0.443E-03 0.532431 0.377E-02 0.012391 0.584E-04 500.2859
|
||
|
40 -263.577802 0.432E-03 0.532333 0.368E-02 0.012388 0.570E-04 504.8959
|
||
|
41 -263.577715 0.431E-03 0.531674 0.364E-02 0.012376 0.568E-04 511.5941
|
||
|
42 -263.577725 0.420E-03 0.531883 0.355E-02 0.012375 0.554E-04 519.0929
|
||
|
43 -263.577837 0.422E-03 0.532727 0.355E-02 0.012389 0.556E-04 526.9997
|
||
|
44 -263.578017 0.450E-03 0.534121 0.374E-02 0.012414 0.596E-04 528.7896
|
||
|
45 -263.577905 0.455E-03 0.533128 0.379E-02 0.012401 0.596E-04 532.9984
|
||
|
46 -263.577761 0.461E-03 0.531968 0.379E-02 0.012383 0.607E-04 534.3899
|
||
|
47 -263.577803 0.453E-03 0.532212 0.372E-02 0.012391 0.598E-04 543.7154
|
||
|
49 -263.577683 0.443E-03 0.531548 0.362E-02 0.012369 0.586E-04 547.4172
|
||
|
50 -263.577705 0.429E-03 0.531717 0.349E-02 0.012372 0.567E-04 553.3094
|
||
|
51 -263.577716 0.420E-03 0.531888 0.343E-02 0.012373 0.556E-04 557.4489
|
||
|
52 -263.577697 0.412E-03 0.531660 0.337E-02 0.012372 0.545E-04 559.3109
|
||
|
53 -263.577753 0.412E-03 0.532184 0.332E-02 0.012378 0.550E-04 561.2778
|
||
|
54 -263.577826 0.411E-03 0.532790 0.331E-02 0.012387 0.548E-04 565.7811
|
||
|
55 -263.577800 0.404E-03 0.532423 0.327E-02 0.012386 0.538E-04 567.5206
|
||
|
56 -263.577780 0.397E-03 0.532241 0.322E-02 0.012384 0.529E-04 569.3268
|
||
|
58 -263.577782 0.392E-03 0.532384 0.316E-02 0.012381 0.525E-04 573.9394
|
||
|
60 -263.577669 0.389E-03 0.531647 0.311E-02 0.012364 0.525E-04 576.3074
|
||
|
61 -263.577736 0.388E-03 0.532204 0.311E-02 0.012372 0.524E-04 578.4686
|
||
|
62 -263.577792 0.386E-03 0.532620 0.309E-02 0.012379 0.520E-04 581.0296
|
||
|
63 -263.577889 0.390E-03 0.533639 0.313E-02 0.012387 0.525E-04 585.2993
|
||
|
65 -263.577907 0.387E-03 0.533736 0.311E-02 0.012390 0.519E-04 587.4247
|
||
|
67 -263.577912 0.377E-03 0.533824 0.303E-02 0.012392 0.506E-04 589.2625
|
||
|
68 -263.578010 0.384E-03 0.534842 0.315E-02 0.012401 0.506E-04 592.0979
|
||
|
69 -263.578143 0.401E-03 0.536010 0.332E-02 0.012416 0.522E-04 596.7449
|
||
|
71 -263.578115 0.393E-03 0.535914 0.325E-02 0.012410 0.512E-04 601.6737
|
||
|
73 -263.578173 0.389E-03 0.536169 0.322E-02 0.012421 0.508E-04 603.1219
|
||
|
74 -263.578161 0.384E-03 0.536167 0.317E-02 0.012418 0.502E-04 607.5850
|
||
|
75 -263.578173 0.379E-03 0.536318 0.313E-02 0.012418 0.495E-04 609.5260
|
||
|
76 -263.578144 0.375E-03 0.536055 0.310E-02 0.012415 0.490E-04 611.7763
|
||
|
77 -263.578060 0.374E-03 0.535380 0.306E-02 0.012404 0.495E-04 616.1787
|
||
|
78 -263.578057 0.369E-03 0.535419 0.302E-02 0.012403 0.489E-04 620.9943
|
||
|
80 -263.578056 0.363E-03 0.535225 0.298E-02 0.012406 0.479E-04 625.2241
|
||
|
82 -263.578194 0.369E-03 0.536278 0.302E-02 0.012425 0.486E-04 630.0738
|
||
|
84 -263.578185 0.363E-03 0.536300 0.298E-02 0.012422 0.478E-04 634.6303
|
||
|
85 -263.578202 0.359E-03 0.536462 0.295E-02 0.012424 0.472E-04 635.8972
|
||
|
86 -263.578193 0.355E-03 0.536399 0.292E-02 0.012423 0.467E-04 639.6535
|
||
|
87 -263.578179 0.351E-03 0.536287 0.290E-02 0.012420 0.460E-04 642.1274
|
||
|
89 -263.578146 0.345E-03 0.536062 0.284E-02 0.012416 0.453E-04 645.2394
|
||
|
90 -263.578092 0.346E-03 0.535627 0.284E-02 0.012409 0.453E-04 646.3962
|
||
|
91 -263.578080 0.341E-03 0.535507 0.281E-02 0.012408 0.445E-04 651.0721
|
||
|
92 -263.578073 0.338E-03 0.535449 0.278E-02 0.012407 0.440E-04 654.0100
|
||
|
93 -263.578112 0.336E-03 0.535749 0.277E-02 0.012412 0.439E-04 656.0653
|
||
|
95 -263.578114 0.332E-03 0.535865 0.275E-02 0.012411 0.433E-04 658.6250
|
||
|
96 -263.578173 0.334E-03 0.536366 0.276E-02 0.012418 0.435E-04 661.1470
|
||
|
97 -263.578172 0.331E-03 0.536395 0.273E-02 0.012418 0.430E-04 664.9010
|
||
|
98 -263.578182 0.327E-03 0.536486 0.271E-02 0.012419 0.424E-04 666.2265
|
||
|
100 -263.578218 0.321E-03 0.536784 0.266E-02 0.012423 0.417E-04 667.9678
|
||
|
101 -263.578259 0.321E-03 0.537061 0.265E-02 0.012429 0.417E-04 669.3943
|
||
|
103 -263.578256 0.316E-03 0.537012 0.261E-02 0.012430 0.413E-04 673.5309
|
||
|
104 -263.578289 0.315E-03 0.537335 0.260E-02 0.012433 0.410E-04 678.2109
|
||
|
105 -263.578255 0.311E-03 0.537008 0.258E-02 0.012430 0.405E-04 680.9566
|
||
|
107 -263.578232 0.306E-03 0.536789 0.253E-02 0.012427 0.398E-04 682.9501
|
||
|
109 -263.578266 0.304E-03 0.537060 0.251E-02 0.012432 0.397E-04 685.0417
|
||
|
110 -263.578207 0.307E-03 0.536571 0.253E-02 0.012424 0.400E-04 686.4395
|
||
|
111 -263.578269 0.311E-03 0.537044 0.256E-02 0.012433 0.406E-04 690.8684
|
||
|
113 -263.578348 0.309E-03 0.537761 0.256E-02 0.012442 0.402E-04 693.9871
|
||
|
114 -263.578321 0.308E-03 0.537547 0.254E-02 0.012439 0.400E-04 696.9840
|
||
|
115 -263.578319 0.305E-03 0.537509 0.252E-02 0.012439 0.397E-04 699.3856
|
||
|
117 -263.578314 0.300E-03 0.537385 0.249E-02 0.012439 0.390E-04 700.6802
|
||
|
118 -263.578277 0.300E-03 0.537062 0.249E-02 0.012435 0.389E-04 702.0773
|
||
|
119 -263.578291 0.298E-03 0.537158 0.247E-02 0.012437 0.386E-04 703.2948
|
||
|
120 -263.578314 0.296E-03 0.537284 0.245E-02 0.012441 0.385E-04 706.6671
|
||
|
122 -263.578333 0.295E-03 0.537442 0.244E-02 0.012443 0.383E-04 709.9359
|
||
|
123 -263.578337 0.294E-03 0.537358 0.242E-02 0.012446 0.384E-04 713.3957
|
||
|
124 -263.578371 0.294E-03 0.537610 0.242E-02 0.012450 0.383E-04 717.5544
|
||
|
125 -263.578349 0.292E-03 0.537425 0.241E-02 0.012447 0.381E-04 726.8965
|
||
|
128 -263.578305 0.288E-03 0.537130 0.237E-02 0.012440 0.376E-04 728.6889
|
||
|
129 -263.578338 0.288E-03 0.537424 0.237E-02 0.012444 0.375E-04 730.5113
|
||
|
131 -263.578330 0.281E-03 0.537421 0.232E-02 0.012441 0.367E-04 732.6338
|
||
|
132 -263.578342 0.280E-03 0.537478 0.230E-02 0.012444 0.365E-04 733.7721
|
||
|
134 -263.578387 0.278E-03 0.537789 0.228E-02 0.012451 0.363E-04 736.1743
|
||
|
136 -263.578422 0.275E-03 0.538081 0.226E-02 0.012455 0.359E-04 739.9339
|
||
|
137 -263.578402 0.274E-03 0.537899 0.225E-02 0.012453 0.357E-04 743.2270
|
||
|
138 -263.578398 0.272E-03 0.537927 0.224E-02 0.012451 0.355E-04 745.6232
|
||
|
139 -263.578411 0.270E-03 0.538069 0.223E-02 0.012452 0.352E-04 747.1984
|
||
|
141 -263.578331 0.266E-03 0.537441 0.220E-02 0.012442 0.346E-04 749.0572
|
||
|
142 -263.578311 0.265E-03 0.537286 0.219E-02 0.012439 0.345E-04 752.0805
|
||
|
143 -263.578307 0.263E-03 0.537236 0.217E-02 0.012439 0.342E-04 754.9810
|
||
|
144 -263.578302 0.261E-03 0.537241 0.216E-02 0.012438 0.340E-04 756.8823
|
||
|
146 -263.578329 0.258E-03 0.537371 0.213E-02 0.012442 0.337E-04 759.9457
|
||
|
147 -263.578366 0.259E-03 0.537668 0.213E-02 0.012447 0.339E-04 762.5054
|
||
|
148 -263.578354 0.258E-03 0.537552 0.212E-02 0.012446 0.337E-04 766.3642
|
||
|
149 -263.578406 0.260E-03 0.538014 0.214E-02 0.012451 0.340E-04 767.8452
|
||
|
151 -263.578387 0.257E-03 0.537897 0.211E-02 0.012448 0.336E-04 769.9345
|
||
|
152 -263.578370 0.256E-03 0.537768 0.210E-02 0.012446 0.335E-04 773.0778
|
||
|
153 -263.578369 0.254E-03 0.537737 0.209E-02 0.012446 0.332E-04 776.7604
|
||
|
154 -263.578330 0.255E-03 0.537419 0.210E-02 0.012441 0.334E-04 780.0557
|
||
|
155 -263.578322 0.254E-03 0.537331 0.209E-02 0.012440 0.332E-04 784.1076
|
||
|
157 -263.578325 0.252E-03 0.537317 0.207E-02 0.012442 0.329E-04 785.9422
|
||
|
158 -263.578319 0.253E-03 0.537242 0.208E-02 0.012441 0.330E-04 787.1461
|
||
|
159 -263.578348 0.253E-03 0.537490 0.208E-02 0.012445 0.330E-04 790.4959
|
||
|
160 -263.578380 0.253E-03 0.537711 0.208E-02 0.012449 0.332E-04 792.2531
|
||
|
161 -263.578375 0.252E-03 0.537642 0.207E-02 0.012449 0.329E-04 793.9923
|
||
|
163 -263.578355 0.249E-03 0.537549 0.204E-02 0.012445 0.327E-04 797.6776
|
||
|
165 -263.578342 0.250E-03 0.537460 0.205E-02 0.012443 0.327E-04 800.8357
|
||
|
167 -263.578353 0.247E-03 0.537507 0.203E-02 0.012445 0.324E-04 802.5534
|
||
|
168 -263.578356 0.243E-03 0.537498 0.199E-02 0.012447 0.319E-04 804.2496
|
||
|
169 -263.578318 0.244E-03 0.537229 0.199E-02 0.012441 0.322E-04 807.8151
|
||
|
170 -263.578303 0.243E-03 0.537107 0.199E-02 0.012439 0.321E-04 810.5622
|
||
|
171 -263.578334 0.244E-03 0.537377 0.199E-02 0.012443 0.322E-04 813.9772
|
||
|
172 -263.578338 0.243E-03 0.537413 0.198E-02 0.012443 0.320E-04 816.8343
|
||
|
174 -263.578306 0.241E-03 0.537186 0.197E-02 0.012438 0.318E-04 817.9336
|
||
|
175 -263.578321 0.239E-03 0.537326 0.195E-02 0.012440 0.314E-04 821.4010
|
||
|
176 -263.578298 0.239E-03 0.537183 0.194E-02 0.012436 0.315E-04 825.2275
|
||
|
178 -263.578271 0.237E-03 0.536950 0.193E-02 0.012433 0.312E-04 826.5846
|
||
|
181 -263.578337 0.236E-03 0.537451 0.192E-02 0.012442 0.309E-04 830.6569
|
||
|
182 -263.578340 0.234E-03 0.537478 0.191E-02 0.012443 0.308E-04 837.3201
|
||
|
188 -263.578343 0.232E-03 0.537398 0.189E-02 0.012444 0.305E-04 839.1725
|
||
|
189 -263.578330 0.231E-03 0.537288 0.188E-02 0.012443 0.304E-04 841.1095
|
||
|
190 -263.578340 0.230E-03 0.537369 0.187E-02 0.012444 0.302E-04 843.4078
|
||
|
191 -263.578322 0.229E-03 0.537210 0.187E-02 0.012442 0.302E-04 845.5360
|
||
|
192 -263.578341 0.227E-03 0.537396 0.185E-02 0.012443 0.299E-04 847.6779
|
||
|
193 -263.578327 0.226E-03 0.537277 0.184E-02 0.012442 0.298E-04 849.2429
|
||
|
194 -263.578326 0.225E-03 0.537317 0.183E-02 0.012441 0.297E-04 852.1187
|
||
|
195 -263.578343 0.225E-03 0.537442 0.183E-02 0.012443 0.296E-04 855.3851
|
||
|
197 -263.578372 0.223E-03 0.537705 0.182E-02 0.012447 0.294E-04 857.3279
|
||
|
198 -263.578387 0.223E-03 0.537818 0.181E-02 0.012449 0.294E-04 859.2567
|
||
|
201 -263.578406 0.221E-03 0.537967 0.180E-02 0.012451 0.292E-04 861.4564
|
||
|
202 -263.578400 0.221E-03 0.537877 0.180E-02 0.012452 0.291E-04 863.0565
|
||
|
203 -263.578383 0.221E-03 0.537738 0.180E-02 0.012449 0.290E-04 864.3022
|
||
|
204 -263.578385 0.220E-03 0.537757 0.179E-02 0.012450 0.289E-04 867.6168
|
||
|
207 -263.578390 0.217E-03 0.537778 0.177E-02 0.012450 0.286E-04 869.2747
|
||
|
209 -263.578403 0.217E-03 0.537912 0.177E-02 0.012452 0.286E-04 871.1501
|
||
|
212 -263.578401 0.215E-03 0.537861 0.175E-02 0.012452 0.282E-04 873.0641
|
||
|
213 -263.578380 0.214E-03 0.537702 0.174E-02 0.012449 0.282E-04 874.5823
|
||
|
214 -263.578396 0.214E-03 0.537808 0.174E-02 0.012451 0.282E-04 876.5301
|
||
|
215 -263.578404 0.214E-03 0.537845 0.174E-02 0.012453 0.281E-04 878.4438
|
||
|
216 -263.578427 0.214E-03 0.538029 0.174E-02 0.012456 0.282E-04 880.1510
|
||
|
217 -263.578447 0.214E-03 0.538193 0.174E-02 0.012458 0.281E-04 882.5781
|
||
|
218 -263.578479 0.215E-03 0.538462 0.175E-02 0.012462 0.283E-04 885.3714
|
||
|
221 -263.578459 0.213E-03 0.538324 0.174E-02 0.012459 0.280E-04 888.5610
|
||
|
224 -263.578439 0.213E-03 0.538193 0.173E-02 0.012456 0.280E-04 891.5980
|
||
|
226 -263.578430 0.211E-03 0.538114 0.172E-02 0.012455 0.278E-04 896.4076
|
||
|
229 -263.578439 0.207E-03 0.538222 0.168E-02 0.012456 0.272E-04 898.7647
|
||
|
230 -263.578426 0.206E-03 0.538131 0.168E-02 0.012454 0.271E-04 900.7123
|
||
|
231 -263.578420 0.205E-03 0.538072 0.167E-02 0.012453 0.270E-04 902.3303
|
||
|
232 -263.578426 0.205E-03 0.538151 0.167E-02 0.012454 0.269E-04 904.8782
|
||
|
234 -263.578409 0.203E-03 0.538029 0.166E-02 0.012451 0.267E-04 906.2201
|
||
|
235 -263.578417 0.203E-03 0.538073 0.165E-02 0.012453 0.266E-04 908.5945
|
||
|
237 -263.578426 0.201E-03 0.538105 0.164E-02 0.012455 0.265E-04 910.0882
|
||
|
241 -263.578438 0.201E-03 0.538219 0.165E-02 0.012456 0.264E-04 911.6121
|
||
|
242 -263.578426 0.201E-03 0.538117 0.164E-02 0.012454 0.264E-04 913.2356
|
||
|
244 -263.578417 0.198E-03 0.538023 0.163E-02 0.012453 0.259E-04 916.7130
|
||
|
247 -263.578450 0.201E-03 0.538272 0.164E-02 0.012458 0.262E-04 918.2336
|
||
|
248 -263.578448 0.200E-03 0.538246 0.164E-02 0.012458 0.261E-04 924.3306
|
||
|
253 -263.578440 0.197E-03 0.538177 0.161E-02 0.012457 0.257E-04 928.4036
|
||
|
256 -263.578461 0.196E-03 0.538393 0.162E-02 0.012459 0.255E-04 929.9144
|
||
|
257 -263.578469 0.194E-03 0.538459 0.160E-02 0.012459 0.252E-04 931.6506
|
||
|
258 -263.578466 0.193E-03 0.538453 0.159E-02 0.012459 0.252E-04 933.5357
|
||
|
259 -263.578476 0.193E-03 0.538538 0.159E-02 0.012460 0.251E-04 935.6544
|
||
|
260 -263.578474 0.192E-03 0.538520 0.158E-02 0.012460 0.250E-04 938.0350
|
||
|
263 -263.578476 0.191E-03 0.538510 0.158E-02 0.012460 0.249E-04 940.0040
|
||
|
264 -263.578473 0.191E-03 0.538506 0.157E-02 0.012460 0.248E-04 942.4394
|
||
|
265 -263.578477 0.190E-03 0.538557 0.156E-02 0.012460 0.247E-04 943.4525
|
||
|
266 -263.578478 0.189E-03 0.538571 0.156E-02 0.012460 0.246E-04 945.7428
|
||
|
268 -263.578483 0.188E-03 0.538582 0.155E-02 0.012461 0.245E-04 948.5133
|
||
|
270 -263.578465 0.185E-03 0.538502 0.153E-02 0.012458 0.242E-04 949.9697
|
||
|
271 -263.578455 0.185E-03 0.538411 0.152E-02 0.012457 0.241E-04 952.3175
|
||
|
272 -263.578484 0.187E-03 0.538654 0.154E-02 0.012460 0.243E-04 954.4613
|
||
|
275 -263.578465 0.185E-03 0.538502 0.152E-02 0.012458 0.241E-04 957.6994
|
||
|
277 -263.578500 0.185E-03 0.538755 0.152E-02 0.012463 0.242E-04 959.0048
|
||
|
279 -263.578511 0.186E-03 0.538804 0.152E-02 0.012465 0.243E-04 960.6360
|
||
|
280 -263.578517 0.185E-03 0.538877 0.152E-02 0.012465 0.242E-04 963.2960
|
||
|
284 -263.578486 0.183E-03 0.538606 0.150E-02 0.012462 0.240E-04 966.2103
|
||
|
286 -263.578522 0.182E-03 0.538874 0.150E-02 0.012466 0.238E-04 967.6353
|
||
|
287 -263.578511 0.182E-03 0.538778 0.150E-02 0.012465 0.238E-04 968.7385
|
||
|
288 -263.578516 0.181E-03 0.538799 0.149E-02 0.012466 0.237E-04 969.7817
|
||
|
290 -263.578501 0.181E-03 0.538671 0.149E-02 0.012464 0.236E-04 972.2038
|
||
|
292 -263.578500 0.180E-03 0.538695 0.148E-02 0.012464 0.235E-04 974.2280
|
||
|
293 -263.578496 0.179E-03 0.538649 0.147E-02 0.012463 0.234E-04 975.5460
|
||
|
294 -263.578501 0.179E-03 0.538685 0.147E-02 0.012464 0.233E-04 977.6085
|
||
|
296 -263.578491 0.178E-03 0.538597 0.146E-02 0.012463 0.232E-04 978.6592
|
||
|
297 -263.578488 0.177E-03 0.538573 0.146E-02 0.012462 0.231E-04 980.4792
|
||
|
298 -263.578497 0.177E-03 0.538649 0.145E-02 0.012463 0.231E-04 981.5094
|
||
|
299 -263.578521 0.178E-03 0.538835 0.146E-02 0.012467 0.232E-04 983.3685
|
||
|
301 -263.578498 0.177E-03 0.538631 0.146E-02 0.012464 0.231E-04 984.5072
|
||
|
302 -263.578486 0.177E-03 0.538555 0.146E-02 0.012462 0.231E-04 985.9973
|
||
|
303 -263.578480 0.177E-03 0.538522 0.145E-02 0.012462 0.231E-04 989.4409
|
||
|
307 -263.578558 0.176E-03 0.538949 0.144E-02 0.012475 0.231E-04 991.3436
|
||
|
308 -263.578564 0.175E-03 0.538998 0.143E-02 0.012476 0.230E-04 992.9724
|
||
|
310 -263.578555 0.175E-03 0.538916 0.143E-02 0.012475 0.230E-04 995.3965
|
||
|
312 -263.578571 0.174E-03 0.538984 0.142E-02 0.012478 0.229E-04 997.4939
|
||
|
313 -263.578586 0.175E-03 0.539110 0.142E-02 0.012480 0.230E-04 999.1350
|
||
|
316 -263.578599 0.173E-03 0.539182 0.141E-02 0.012482 0.228E-04 1001.4397
|
||
|
317 -263.578600 0.173E-03 0.539180 0.141E-02 0.012483 0.227E-04 1003.8727
|
||
|
319 -263.578607 0.172E-03 0.539210 0.140E-02 0.012484 0.226E-04 1005.9171
|
||
|
322 -263.578646 0.168E-03 0.539474 0.137E-02 0.012490 0.220E-04 1008.2842
|
||
|
325 -263.578645 0.167E-03 0.539491 0.136E-02 0.012489 0.219E-04 1010.6845
|
||
|
328 -263.578621 0.166E-03 0.539329 0.136E-02 0.012485 0.218E-04 1013.8372
|
||
|
329 -263.578609 0.166E-03 0.539222 0.136E-02 0.012484 0.218E-04 1015.0405
|
||
|
331 -263.578623 0.165E-03 0.539368 0.135E-02 0.012485 0.217E-04 1017.9269
|
||
|
335 -263.578632 0.164E-03 0.539468 0.135E-02 0.012486 0.216E-04 1021.7372
|
||
|
338 -263.578655 0.165E-03 0.539652 0.135E-02 0.012489 0.217E-04 1024.0444
|
||
|
343 -263.578628 0.162E-03 0.539459 0.133E-02 0.012485 0.214E-04 1026.5953
|
||
|
346 -263.578641 0.162E-03 0.539595 0.132E-02 0.012486 0.213E-04 1028.6409
|
||
|
347 -263.578639 0.161E-03 0.539585 0.132E-02 0.012486 0.212E-04 1029.9418
|
||
|
350 -263.578630 0.161E-03 0.539506 0.131E-02 0.012485 0.212E-04 1032.7713
|
||
|
352 -263.578633 0.160E-03 0.539544 0.130E-02 0.012485 0.211E-04 1034.5407
|
||
|
355 -263.578635 0.159E-03 0.539579 0.129E-02 0.012485 0.209E-04 1036.2916
|
||
|
356 -263.578629 0.158E-03 0.539526 0.129E-02 0.012484 0.209E-04 1037.3591
|
||
|
357 -263.578631 0.158E-03 0.539545 0.129E-02 0.012484 0.208E-04 1038.7274
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
1.248192167372969E-002
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.550549 GB ] [ VIRT MEM : 14.304028 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 3680.574875 s ] [ CPU TIME: 232973.739239 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 655360
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.550549 GB ] [ VIRT MEM : 14.304028 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 3680.587608 s ] [ CPU TIME: 232973.751851 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 655360
|
||
|
* pt2_n_tasks_max 66
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.9088390296401929
|
||
|
|
||
|
Summary at N_det = 655360
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.49886739
|
||
|
# PT2 -0.07974392 0.00015860
|
||
|
# rPT2 -0.07876084 0.00015665
|
||
|
#
|
||
|
# E+PT2 -263.57861131 0.00015860
|
||
|
# E+rPT2 -263.57762822 0.00015665
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 655360
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 4.710002470395367E-003
|
||
|
E = -263.498867385603
|
||
|
Variance = 0.539382443581738 +/- 1.292536461701004E-003
|
||
|
PT norm = 0.111722520888716 +/- 9.355523091161719E-005
|
||
|
PT2 = -7.974392472124529E-002 +/- 1.586014933466113E-004
|
||
|
rPT2 = -7.876083810901130E-002 +/- 1.566462471590878E-004
|
||
|
E+PT2 = -263.578611310324 +/- 1.586014933466113E-004
|
||
|
E+rPT2 = -263.577628223712 +/- 1.566462471590878E-004
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.58792356423
|
||
|
Vee = 296.568133183924
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.269382774265
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.0896 -263.60919630
|
||
|
-0.1016 -263.61044878
|
||
|
-0.1155 -263.61020026
|
||
|
-0.1329 -263.60854127
|
||
|
-0.1541 -263.60805220
|
||
|
-0.1816 -263.60750236
|
||
|
-0.2151 -263.60707480
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 130995
|
||
|
* Number of unique beta determinants 131019
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.136768 GB ] [ VIRT MEM : 14.947540 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 4001.473412 s ] [ CPU TIME: 233559.974891 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 1310720
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 2.523791149258614
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.4988673856 0.004710 0.240E-02
|
||
|
1 -263.5124685798 0.004436 0.130E-03
|
||
|
2 -263.5126942344 0.004466 0.112E-04
|
||
|
3 -263.5127242840 0.004491 0.177E-05
|
||
|
4 -263.5127297083 0.004500 0.287E-06
|
||
|
5 -263.5127307072 0.004501 0.504E-07
|
||
|
6 -263.5127308806 0.004501 0.829E-08
|
||
|
7 -263.5127309095 0.004501 0.123E-08
|
||
|
8 -263.5127309139 0.004501 0.179E-09
|
||
|
9 -263.5127309145 0.004501 0.240E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 6.411327 GB ] [ VIRT MEM : 16.499187 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 7204.499334 s ] [ CPU TIME: 238026.939186 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.141762 GB ] [ VIRT MEM : 14.935211 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 7204.610850 s ] [ CPU TIME: 238041.212357 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.5127309145245
|
||
|
* S^2 of state 1 0.4501274924337675E-02
|
||
|
* Saved determinants 1310720
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.126236 GB ] [ VIRT MEM : 14.935211 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 7217.450504 s ] [ CPU TIME: 238270.955649 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 1310716
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.068691 GB ] [ VIRT MEM : 14.861439 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 7218.259914 s ] [ CPU TIME: 238342.855674 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 1310716
|
||
|
* pt2_n_tasks_max 132
|
||
|
* PT2 Energy denominator -263.5127309145245
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.220928 GB ] [ VIRT MEM : 15.013378 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 7218.701153 s ] [ CPU TIME: 238393.012213 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 1310716
|
||
|
* Number of comb teeth 100
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.220936 GB ] [ VIRT MEM : 15.013378 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 7218.722531 s ] [ CPU TIME: 238393.033469 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 1310716
|
||
|
* pt2_n_tasks_max 132
|
||
|
* Number of tasks 1462764
|
||
|
* Number of fragmented tasks 9905
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 25.16199166074395
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.583742 0.148E-02 0.492963 0.141E-01 0.010782 0.183E-03 420.3740
|
||
|
4 -263.583346 0.107E-02 0.489099 0.995E-02 0.010743 0.134E-03 485.6327
|
||
|
5 -263.582962 0.901E-03 0.486188 0.802E-02 0.010693 0.116E-03 544.9316
|
||
|
6 -263.583858 0.119E-02 0.492810 0.951E-02 0.010821 0.164E-03 607.7808
|
||
|
7 -263.583921 0.101E-02 0.494248 0.815E-02 0.010819 0.138E-03 657.6394
|
||
|
8 -263.583558 0.937E-03 0.492451 0.722E-02 0.010752 0.136E-03 715.7160
|
||
|
9 -263.583476 0.829E-03 0.491795 0.633E-02 0.010748 0.120E-03 767.5885
|
||
|
10 -263.582989 0.893E-03 0.487073 0.730E-02 0.010704 0.119E-03 778.3179
|
||
|
11 -263.582405 0.100E-02 0.482146 0.830E-02 0.010631 0.131E-03 788.6062
|
||
|
12 -263.582050 0.979E-03 0.479885 0.789E-02 0.010571 0.131E-03 820.0643
|
||
|
13 -263.581794 0.936E-03 0.478025 0.749E-02 0.010532 0.127E-03 831.6266
|
||
|
14 -263.582125 0.934E-03 0.481196 0.763E-02 0.010566 0.124E-03 867.3028
|
||
|
15 -263.582470 0.937E-03 0.484311 0.777E-02 0.010601 0.121E-03 884.3331
|
||
|
16 -263.582529 0.869E-03 0.484663 0.710E-02 0.010612 0.115E-03 887.7905
|
||
|
17 -263.582750 0.846E-03 0.486314 0.687E-02 0.010645 0.113E-03 896.4538
|
||
|
18 -263.582997 0.851E-03 0.488478 0.697E-02 0.010674 0.112E-03 918.9942
|
||
|
19 -263.582730 0.848E-03 0.486331 0.694E-02 0.010638 0.112E-03 955.1488
|
||
|
20 -263.582753 0.798E-03 0.487072 0.658E-02 0.010631 0.104E-03 993.7151
|
||
|
21 -263.583006 0.813E-03 0.489131 0.676E-02 0.010665 0.105E-03 999.1496
|
||
|
22 -263.583153 0.789E-03 0.490035 0.651E-02 0.010688 0.102E-03 1010.7166
|
||
|
23 -263.583111 0.755E-03 0.489768 0.622E-02 0.010681 0.980E-04 1020.0820
|
||
|
24 -263.582970 0.742E-03 0.488746 0.611E-02 0.010660 0.961E-04 1037.7520
|
||
|
25 -263.582939 0.712E-03 0.488274 0.588E-02 0.010660 0.921E-04 1048.5238
|
||
|
26 -263.582806 0.697E-03 0.487517 0.570E-02 0.010636 0.919E-04 1055.7026
|
||
|
27 -263.582710 0.671E-03 0.486577 0.549E-02 0.010625 0.885E-04 1091.8088
|
||
|
28 -263.582591 0.658E-03 0.485714 0.536E-02 0.010608 0.869E-04 1119.9496
|
||
|
29 -263.582695 0.646E-03 0.486860 0.537E-02 0.010616 0.833E-04 1145.2381
|
||
|
30 -263.582707 0.619E-03 0.486797 0.513E-02 0.010620 0.800E-04 1172.7288
|
||
|
31 -263.582814 0.614E-03 0.487958 0.515E-02 0.010628 0.781E-04 1183.7561
|
||
|
32 -263.583022 0.630E-03 0.489585 0.525E-02 0.010654 0.802E-04 1204.4464
|
||
|
33 -263.582917 0.620E-03 0.488862 0.514E-02 0.010640 0.791E-04 1213.8749
|
||
|
34 -263.582832 0.606E-03 0.488242 0.498E-02 0.010628 0.783E-04 1238.5860
|
||
|
35 -263.582745 0.594E-03 0.487680 0.486E-02 0.010614 0.773E-04 1250.7436
|
||
|
36 -263.582649 0.589E-03 0.486893 0.482E-02 0.010602 0.768E-04 1257.6908
|
||
|
37 -263.582621 0.573E-03 0.486889 0.469E-02 0.010595 0.750E-04 1265.6300
|
||
|
38 -263.582772 0.573E-03 0.488171 0.472E-02 0.010615 0.747E-04 1272.3155
|
||
|
39 -263.582707 0.562E-03 0.487575 0.464E-02 0.010608 0.731E-04 1281.3198
|
||
|
40 -263.582634 0.552E-03 0.487087 0.455E-02 0.010596 0.722E-04 1291.1411
|
||
|
41 -263.582643 0.539E-03 0.486834 0.443E-02 0.010603 0.710E-04 1305.7988
|
||
|
42 -263.582489 0.549E-03 0.485407 0.456E-02 0.010587 0.713E-04 1324.8485
|
||
|
43 -263.582552 0.541E-03 0.485885 0.448E-02 0.010595 0.703E-04 1342.4101
|
||
|
44 -263.582647 0.537E-03 0.486551 0.443E-02 0.010609 0.700E-04 1348.2156
|
||
|
45 -263.582554 0.533E-03 0.485830 0.439E-02 0.010597 0.695E-04 1358.1229
|
||
|
46 -263.582474 0.530E-03 0.485074 0.433E-02 0.010589 0.698E-04 1363.2945
|
||
|
47 -263.582543 0.523E-03 0.485907 0.432E-02 0.010593 0.684E-04 1376.7239
|
||
|
48 -263.582544 0.512E-03 0.485898 0.423E-02 0.010593 0.669E-04 1383.4757
|
||
|
49 -263.582442 0.512E-03 0.485022 0.425E-02 0.010581 0.660E-04 1393.1341
|
||
|
50 -263.582548 0.513E-03 0.485872 0.425E-02 0.010595 0.662E-04 1404.3237
|
||
|
51 -263.582436 0.515E-03 0.485084 0.422E-02 0.010578 0.671E-04 1412.8714
|
||
|
52 -263.582357 0.511E-03 0.484394 0.420E-02 0.010569 0.664E-04 1418.4521
|
||
|
53 -263.582330 0.502E-03 0.484129 0.413E-02 0.010565 0.652E-04 1423.6026
|
||
|
54 -263.582302 0.492E-03 0.483788 0.407E-02 0.010564 0.637E-04 1430.8855
|
||
|
55 -263.582429 0.500E-03 0.484708 0.410E-02 0.010583 0.652E-04 1435.7529
|
||
|
56 -263.582406 0.491E-03 0.484387 0.404E-02 0.010582 0.640E-04 1439.1849
|
||
|
58 -263.582406 0.492E-03 0.484241 0.404E-02 0.010585 0.642E-04 1448.3291
|
||
|
59 -263.582372 0.485E-03 0.483868 0.399E-02 0.010582 0.632E-04 1450.3364
|
||
|
60 -263.582379 0.477E-03 0.483966 0.392E-02 0.010583 0.621E-04 1454.6323
|
||
|
61 -263.582448 0.474E-03 0.484459 0.389E-02 0.010592 0.619E-04 1458.4575
|
||
|
62 -263.582495 0.469E-03 0.484963 0.387E-02 0.010596 0.609E-04 1464.6739
|
||
|
63 -263.582472 0.462E-03 0.484804 0.381E-02 0.010593 0.601E-04 1473.6521
|
||
|
65 -263.582669 0.473E-03 0.486509 0.392E-02 0.010615 0.608E-04 1477.9310
|
||
|
67 -263.582713 0.463E-03 0.486740 0.384E-02 0.010623 0.594E-04 1483.5873
|
||
|
68 -263.582707 0.456E-03 0.486703 0.378E-02 0.010622 0.586E-04 1490.2144
|
||
|
69 -263.582623 0.457E-03 0.486113 0.377E-02 0.010611 0.589E-04 1497.0901
|
||
|
71 -263.582605 0.445E-03 0.485987 0.367E-02 0.010607 0.572E-04 1505.8027
|
||
|
72 -263.582640 0.440E-03 0.486115 0.362E-02 0.010615 0.568E-04 1506.8931
|
||
|
73 -263.582679 0.435E-03 0.486499 0.359E-02 0.010618 0.561E-04 1510.7118
|
||
|
74 -263.582605 0.436E-03 0.485823 0.361E-02 0.010610 0.560E-04 1519.5325
|
||
|
75 -263.582569 0.431E-03 0.485597 0.357E-02 0.010605 0.555E-04 1522.6880
|
||
|
76 -263.582567 0.425E-03 0.485530 0.352E-02 0.010605 0.548E-04 1526.1046
|
||
|
77 -263.582564 0.420E-03 0.485630 0.347E-02 0.010603 0.541E-04 1536.3417
|
||
|
78 -263.582499 0.416E-03 0.485209 0.343E-02 0.010593 0.537E-04 1543.3480
|
||
|
80 -263.582441 0.414E-03 0.484613 0.342E-02 0.010587 0.532E-04 1552.7003
|
||
|
81 -263.582429 0.409E-03 0.484440 0.338E-02 0.010587 0.526E-04 1556.5465
|
||
|
82 -263.582349 0.412E-03 0.483765 0.341E-02 0.010577 0.529E-04 1561.6349
|
||
|
84 -263.582423 0.406E-03 0.484299 0.337E-02 0.010588 0.522E-04 1570.9591
|
||
|
85 -263.582462 0.400E-03 0.484766 0.332E-02 0.010590 0.516E-04 1574.9548
|
||
|
86 -263.582480 0.395E-03 0.485065 0.329E-02 0.010591 0.510E-04 1581.8299
|
||
|
87 -263.582513 0.392E-03 0.485281 0.326E-02 0.010596 0.506E-04 1589.7725
|
||
|
89 -263.582415 0.390E-03 0.484463 0.324E-02 0.010584 0.503E-04 1595.6681
|
||
|
90 -263.582352 0.390E-03 0.483973 0.324E-02 0.010575 0.504E-04 1596.7643
|
||
|
91 -263.582393 0.388E-03 0.484410 0.323E-02 0.010578 0.500E-04 1605.1197
|
||
|
92 -263.582378 0.384E-03 0.484338 0.319E-02 0.010575 0.496E-04 1609.8683
|
||
|
93 -263.582406 0.381E-03 0.484644 0.317E-02 0.010578 0.491E-04 1616.1346
|
||
|
95 -263.582408 0.374E-03 0.484622 0.311E-02 0.010578 0.482E-04 1619.0741
|
||
|
96 -263.582427 0.369E-03 0.484692 0.307E-02 0.010582 0.477E-04 1624.7556
|
||
|
97 -263.582495 0.372E-03 0.485262 0.309E-02 0.010590 0.480E-04 1631.2382
|
||
|
98 -263.582504 0.368E-03 0.485249 0.306E-02 0.010593 0.476E-04 1634.5798
|
||
|
100 -263.582397 0.369E-03 0.484444 0.305E-02 0.010578 0.478E-04 1638.0609
|
||
|
101 -263.582379 0.366E-03 0.484290 0.302E-02 0.010575 0.474E-04 1643.7740
|
||
|
103 -263.582373 0.355E-03 0.484180 0.293E-02 0.010576 0.464E-04 1648.8264
|
||
|
104 -263.582357 0.352E-03 0.484075 0.290E-02 0.010573 0.460E-04 1657.0141
|
||
|
105 -263.582370 0.349E-03 0.484286 0.288E-02 0.010573 0.455E-04 1663.2123
|
||
|
106 -263.582424 0.350E-03 0.484642 0.287E-02 0.010581 0.458E-04 1664.3931
|
||
|
107 -263.582455 0.348E-03 0.484959 0.286E-02 0.010584 0.455E-04 1668.3205
|
||
|
109 -263.582424 0.342E-03 0.484624 0.282E-02 0.010582 0.447E-04 1671.6163
|
||
|
110 -263.582401 0.340E-03 0.484462 0.280E-02 0.010578 0.444E-04 1674.7489
|
||
|
111 -263.582394 0.337E-03 0.484401 0.278E-02 0.010577 0.440E-04 1680.6089
|
||
|
112 -263.582407 0.334E-03 0.484469 0.275E-02 0.010580 0.437E-04 1682.9789
|
||
|
113 -263.582415 0.330E-03 0.484555 0.272E-02 0.010581 0.432E-04 1688.5998
|
||
|
114 -263.582389 0.328E-03 0.484375 0.270E-02 0.010577 0.430E-04 1698.5502
|
||
|
115 -263.582365 0.326E-03 0.484158 0.268E-02 0.010574 0.427E-04 1699.7580
|
||
|
117 -263.582459 0.328E-03 0.484898 0.270E-02 0.010587 0.430E-04 1702.5005
|
||
|
118 -263.582435 0.326E-03 0.484690 0.268E-02 0.010584 0.427E-04 1706.2582
|
||
|
119 -263.582426 0.323E-03 0.484672 0.266E-02 0.010582 0.424E-04 1708.4335
|
||
|
120 -263.582421 0.321E-03 0.484583 0.264E-02 0.010582 0.420E-04 1714.9576
|
||
|
122 -263.582418 0.315E-03 0.484486 0.259E-02 0.010583 0.414E-04 1722.3817
|
||
|
123 -263.582446 0.314E-03 0.484697 0.258E-02 0.010587 0.412E-04 1728.9948
|
||
|
124 -263.582426 0.309E-03 0.484429 0.253E-02 0.010586 0.408E-04 1738.7861
|
||
|
125 -263.582430 0.306E-03 0.484476 0.251E-02 0.010586 0.404E-04 1744.2814
|
||
|
126 -263.582491 0.310E-03 0.484979 0.254E-02 0.010594 0.408E-04 1750.5725
|
||
|
127 -263.582496 0.308E-03 0.485058 0.252E-02 0.010594 0.404E-04 1752.6294
|
||
|
128 -263.582499 0.305E-03 0.485039 0.250E-02 0.010594 0.401E-04 1764.6807
|
||
|
131 -263.582562 0.302E-03 0.485375 0.246E-02 0.010605 0.399E-04 1770.4409
|
||
|
134 -263.582572 0.294E-03 0.485287 0.239E-02 0.010609 0.389E-04 1773.5666
|
||
|
135 -263.582570 0.292E-03 0.485244 0.238E-02 0.010609 0.386E-04 1776.9098
|
||
|
136 -263.582535 0.292E-03 0.484990 0.237E-02 0.010604 0.387E-04 1782.6572
|
||
|
137 -263.582582 0.294E-03 0.485481 0.241E-02 0.010609 0.386E-04 1792.5036
|
||
|
138 -263.582553 0.293E-03 0.485196 0.241E-02 0.010606 0.384E-04 1796.8118
|
||
|
140 -263.582583 0.290E-03 0.485470 0.238E-02 0.010609 0.380E-04 1798.5644
|
||
|
141 -263.582597 0.288E-03 0.485677 0.237E-02 0.010610 0.378E-04 1803.0505
|
||
|
142 -263.582613 0.286E-03 0.485806 0.236E-02 0.010611 0.375E-04 1807.1820
|
||
|
143 -263.582597 0.285E-03 0.485684 0.234E-02 0.010609 0.374E-04 1814.8172
|
||
|
144 -263.582573 0.284E-03 0.485458 0.234E-02 0.010607 0.372E-04 1818.6428
|
||
|
146 -263.582615 0.282E-03 0.485772 0.232E-02 0.010612 0.370E-04 1824.5598
|
||
|
147 -263.582559 0.286E-03 0.485304 0.235E-02 0.010605 0.374E-04 1830.4127
|
||
|
148 -263.582560 0.284E-03 0.485284 0.233E-02 0.010606 0.372E-04 1834.0899
|
||
|
149 -263.582560 0.282E-03 0.485332 0.232E-02 0.010605 0.369E-04 1839.2696
|
||
|
151 -263.582550 0.279E-03 0.485212 0.229E-02 0.010605 0.366E-04 1844.2801
|
||
|
152 -263.582547 0.277E-03 0.485167 0.227E-02 0.010605 0.363E-04 1851.9482
|
||
|
153 -263.582533 0.275E-03 0.485037 0.226E-02 0.010603 0.361E-04 1859.3436
|
||
|
154 -263.582545 0.274E-03 0.485132 0.225E-02 0.010605 0.359E-04 1864.5894
|
||
|
155 -263.582579 0.274E-03 0.485376 0.225E-02 0.010610 0.360E-04 1872.1436
|
||
|
156 -263.582573 0.272E-03 0.485325 0.223E-02 0.010609 0.358E-04 1875.2166
|
||
|
157 -263.582569 0.271E-03 0.485326 0.222E-02 0.010608 0.356E-04 1879.7360
|
||
|
158 -263.582566 0.269E-03 0.485292 0.220E-02 0.010608 0.353E-04 1882.6619
|
||
|
159 -263.582545 0.268E-03 0.485160 0.219E-02 0.010604 0.352E-04 1887.9737
|
||
|
160 -263.582549 0.266E-03 0.485209 0.218E-02 0.010605 0.350E-04 1893.4117
|
||
|
162 -263.582553 0.264E-03 0.485175 0.216E-02 0.010606 0.349E-04 1896.1536
|
||
|
163 -263.582579 0.264E-03 0.485398 0.216E-02 0.010610 0.348E-04 1903.0540
|
||
|
165 -263.582579 0.262E-03 0.485371 0.214E-02 0.010610 0.345E-04 1909.6069
|
||
|
167 -263.582531 0.262E-03 0.485006 0.214E-02 0.010604 0.345E-04 1912.4574
|
||
|
168 -263.582553 0.261E-03 0.485180 0.213E-02 0.010607 0.344E-04 1917.0927
|
||
|
169 -263.582537 0.260E-03 0.485051 0.212E-02 0.010604 0.342E-04 1922.0848
|
||
|
170 -263.582542 0.259E-03 0.485060 0.211E-02 0.010606 0.340E-04 1928.7616
|
||
|
171 -263.582517 0.258E-03 0.484905 0.210E-02 0.010602 0.341E-04 1932.5999
|
||
|
172 -263.582530 0.257E-03 0.485016 0.209E-02 0.010603 0.339E-04 1943.2051
|
||
|
174 -263.582519 0.255E-03 0.484966 0.208E-02 0.010601 0.334E-04 1945.5493
|
||
|
175 -263.582535 0.254E-03 0.485164 0.208E-02 0.010602 0.333E-04 1951.5399
|
||
|
176 -263.582551 0.253E-03 0.485269 0.207E-02 0.010604 0.332E-04 1954.3829
|
||
|
177 -263.582535 0.252E-03 0.485131 0.206E-02 0.010603 0.330E-04 1958.3201
|
||
|
179 -263.582557 0.250E-03 0.485336 0.205E-02 0.010605 0.327E-04 1959.3221
|
||
|
180 -263.582541 0.250E-03 0.485170 0.206E-02 0.010604 0.327E-04 1961.1835
|
||
|
181 -263.582521 0.250E-03 0.485008 0.205E-02 0.010601 0.326E-04 1967.2820
|
||
|
182 -263.582550 0.250E-03 0.485214 0.205E-02 0.010606 0.327E-04 1972.9959
|
||
|
184 -263.582551 0.250E-03 0.485244 0.204E-02 0.010605 0.327E-04 1975.5907
|
||
|
186 -263.582549 0.250E-03 0.485238 0.204E-02 0.010605 0.328E-04 1982.0345
|
||
|
188 -263.582545 0.246E-03 0.485207 0.201E-02 0.010604 0.323E-04 1986.2339
|
||
|
189 -263.582521 0.246E-03 0.484995 0.201E-02 0.010602 0.322E-04 1991.3777
|
||
|
190 -263.582502 0.245E-03 0.484879 0.200E-02 0.010599 0.322E-04 1996.7193
|
||
|
191 -263.582486 0.245E-03 0.484712 0.200E-02 0.010597 0.321E-04 2000.2480
|
||
|
192 -263.582454 0.245E-03 0.484428 0.201E-02 0.010593 0.321E-04 2004.0366
|
||
|
193 -263.582465 0.244E-03 0.484563 0.200E-02 0.010594 0.320E-04 2008.1346
|
||
|
194 -263.582437 0.245E-03 0.484370 0.200E-02 0.010590 0.321E-04 2013.3290
|
||
|
195 -263.582458 0.244E-03 0.484527 0.200E-02 0.010593 0.320E-04 2015.2457
|
||
|
196 -263.582443 0.244E-03 0.484357 0.199E-02 0.010592 0.320E-04 2016.5082
|
||
|
197 -263.582453 0.243E-03 0.484484 0.198E-02 0.010592 0.319E-04 2020.1168
|
||
|
198 -263.582427 0.243E-03 0.484297 0.198E-02 0.010589 0.319E-04 2028.7885
|
||
|
201 -263.582456 0.242E-03 0.484554 0.198E-02 0.010592 0.317E-04 2031.0147
|
||
|
203 -263.582501 0.244E-03 0.484937 0.199E-02 0.010597 0.321E-04 2035.6658
|
||
|
205 -263.582521 0.245E-03 0.485082 0.199E-02 0.010600 0.321E-04 2038.2796
|
||
|
206 -263.582513 0.244E-03 0.485013 0.198E-02 0.010599 0.320E-04 2040.1628
|
||
|
207 -263.582506 0.242E-03 0.484919 0.198E-02 0.010599 0.318E-04 2046.7214
|
||
|
208 -263.582525 0.242E-03 0.485105 0.198E-02 0.010601 0.318E-04 2047.9773
|
||
|
209 -263.582529 0.239E-03 0.485157 0.195E-02 0.010601 0.315E-04 2049.9131
|
||
|
211 -263.582527 0.238E-03 0.485131 0.194E-02 0.010601 0.313E-04 2050.9279
|
||
|
212 -263.582527 0.237E-03 0.485155 0.193E-02 0.010601 0.312E-04 2053.5852
|
||
|
213 -263.582500 0.237E-03 0.484960 0.193E-02 0.010597 0.313E-04 2056.2042
|
||
|
214 -263.582493 0.236E-03 0.484908 0.192E-02 0.010596 0.312E-04 2059.0697
|
||
|
215 -263.582486 0.235E-03 0.484830 0.191E-02 0.010595 0.310E-04 2064.0616
|
||
|
216 -263.582468 0.235E-03 0.484661 0.191E-02 0.010593 0.310E-04 2068.9756
|
||
|
217 -263.582466 0.234E-03 0.484648 0.190E-02 0.010593 0.308E-04 2071.5172
|
||
|
218 -263.582483 0.234E-03 0.484776 0.190E-02 0.010595 0.308E-04 2077.1439
|
||
|
220 -263.582465 0.228E-03 0.484618 0.185E-02 0.010593 0.300E-04 2082.1816
|
||
|
221 -263.582461 0.227E-03 0.484622 0.184E-02 0.010592 0.299E-04 2083.8557
|
||
|
223 -263.582508 0.227E-03 0.484968 0.185E-02 0.010598 0.300E-04 2086.5637
|
||
|
224 -263.582504 0.226E-03 0.484926 0.184E-02 0.010598 0.299E-04 2092.0872
|
||
|
226 -263.582479 0.225E-03 0.484742 0.183E-02 0.010595 0.297E-04 2097.0738
|
||
|
228 -263.582493 0.223E-03 0.484867 0.181E-02 0.010596 0.295E-04 2102.7731
|
||
|
229 -263.582498 0.222E-03 0.484944 0.181E-02 0.010596 0.294E-04 2107.9428
|
||
|
230 -263.582473 0.223E-03 0.484718 0.181E-02 0.010593 0.294E-04 2110.6288
|
||
|
231 -263.582477 0.222E-03 0.484787 0.181E-02 0.010593 0.292E-04 2115.1656
|
||
|
232 -263.582489 0.221E-03 0.484903 0.180E-02 0.010594 0.291E-04 2121.3491
|
||
|
234 -263.582462 0.220E-03 0.484715 0.179E-02 0.010591 0.292E-04 2123.6409
|
||
|
235 -263.582441 0.221E-03 0.484563 0.179E-02 0.010587 0.292E-04 2126.6258
|
||
|
237 -263.582448 0.219E-03 0.484615 0.178E-02 0.010588 0.290E-04 2129.2303
|
||
|
239 -263.582476 0.227E-03 0.484783 0.183E-02 0.010593 0.300E-04 2132.7724
|
||
|
241 -263.582496 0.226E-03 0.484923 0.183E-02 0.010596 0.300E-04 2135.7759
|
||
|
242 -263.582522 0.227E-03 0.485102 0.183E-02 0.010600 0.302E-04 2139.0644
|
||
|
244 -263.582483 0.227E-03 0.484824 0.183E-02 0.010594 0.302E-04 2144.5460
|
||
|
245 -263.582485 0.226E-03 0.484871 0.182E-02 0.010594 0.301E-04 2147.5065
|
||
|
247 -263.582490 0.224E-03 0.484940 0.181E-02 0.010594 0.298E-04 2150.0435
|
||
|
248 -263.582484 0.224E-03 0.484863 0.180E-02 0.010594 0.297E-04 2154.5070
|
||
|
250 -263.582483 0.224E-03 0.484843 0.180E-02 0.010594 0.298E-04 2157.7584
|
||
|
251 -263.582529 0.225E-03 0.485253 0.181E-02 0.010599 0.299E-04 2163.2897
|
||
|
252 -263.582521 0.224E-03 0.485156 0.181E-02 0.010599 0.298E-04 2164.6007
|
||
|
253 -263.582537 0.224E-03 0.485286 0.181E-02 0.010601 0.298E-04 2168.6680
|
||
|
255 -263.582570 0.224E-03 0.485541 0.180E-02 0.010605 0.297E-04 2172.0662
|
||
|
256 -263.582556 0.223E-03 0.485422 0.180E-02 0.010604 0.296E-04 2173.6948
|
||
|
257 -263.582560 0.222E-03 0.485462 0.179E-02 0.010604 0.295E-04 2177.6286
|
||
|
258 -263.582560 0.222E-03 0.485436 0.179E-02 0.010604 0.294E-04 2183.0003
|
||
|
259 -263.582543 0.221E-03 0.485326 0.178E-02 0.010602 0.294E-04 2186.0222
|
||
|
260 -263.582529 0.221E-03 0.485225 0.178E-02 0.010600 0.293E-04 2190.5968
|
||
|
262 -263.582525 0.219E-03 0.485185 0.177E-02 0.010599 0.291E-04 2191.8506
|
||
|
263 -263.582519 0.219E-03 0.485156 0.176E-02 0.010598 0.290E-04 2196.0541
|
||
|
264 -263.582526 0.218E-03 0.485207 0.175E-02 0.010599 0.289E-04 2200.4688
|
||
|
265 -263.582517 0.217E-03 0.485147 0.175E-02 0.010598 0.289E-04 2203.3536
|
||
|
266 -263.582523 0.216E-03 0.485225 0.174E-02 0.010598 0.288E-04 2206.5288
|
||
|
267 -263.582527 0.214E-03 0.485229 0.173E-02 0.010599 0.285E-04 2209.4562
|
||
|
268 -263.582530 0.213E-03 0.485230 0.172E-02 0.010600 0.284E-04 2212.6425
|
||
|
270 -263.582537 0.212E-03 0.485219 0.171E-02 0.010602 0.282E-04 2218.3833
|
||
|
271 -263.582542 0.211E-03 0.485254 0.170E-02 0.010602 0.281E-04 2221.3771
|
||
|
272 -263.582542 0.210E-03 0.485270 0.169E-02 0.010602 0.280E-04 2226.4267
|
||
|
275 -263.582533 0.208E-03 0.485207 0.168E-02 0.010601 0.278E-04 2230.4280
|
||
|
276 -263.582523 0.208E-03 0.485125 0.167E-02 0.010599 0.277E-04 2233.1748
|
||
|
277 -263.582535 0.207E-03 0.485240 0.167E-02 0.010601 0.276E-04 2236.4529
|
||
|
278 -263.582533 0.207E-03 0.485201 0.166E-02 0.010601 0.275E-04 2241.4083
|
||
|
281 -263.582555 0.205E-03 0.485389 0.165E-02 0.010603 0.273E-04 2243.0400
|
||
|
282 -263.582556 0.204E-03 0.485375 0.165E-02 0.010604 0.272E-04 2245.6756
|
||
|
283 -263.582550 0.204E-03 0.485294 0.164E-02 0.010604 0.271E-04 2246.7639
|
||
|
284 -263.582522 0.203E-03 0.485115 0.164E-02 0.010599 0.269E-04 2249.6288
|
||
|
286 -263.582515 0.201E-03 0.485055 0.163E-02 0.010598 0.267E-04 2252.2324
|
||
|
287 -263.582518 0.201E-03 0.485117 0.162E-02 0.010598 0.266E-04 2255.2475
|
||
|
288 -263.582499 0.201E-03 0.484948 0.163E-02 0.010595 0.267E-04 2258.4306
|
||
|
289 -263.582500 0.200E-03 0.484973 0.162E-02 0.010595 0.266E-04 2260.0658
|
||
|
290 -263.582501 0.200E-03 0.484966 0.161E-02 0.010596 0.265E-04 2262.4012
|
||
|
291 -263.582499 0.199E-03 0.484931 0.161E-02 0.010596 0.264E-04 2263.6237
|
||
|
292 -263.582485 0.199E-03 0.484813 0.161E-02 0.010594 0.264E-04 2265.9249
|
||
|
293 -263.582496 0.198E-03 0.484914 0.161E-02 0.010595 0.263E-04 2270.4734
|
||
|
294 -263.582484 0.198E-03 0.484813 0.160E-02 0.010594 0.263E-04 2274.1144
|
||
|
296 -263.582488 0.197E-03 0.484851 0.159E-02 0.010594 0.261E-04 2276.0395
|
||
|
297 -263.582468 0.197E-03 0.484683 0.160E-02 0.010592 0.261E-04 2280.7104
|
||
|
298 -263.582460 0.197E-03 0.484602 0.159E-02 0.010591 0.261E-04 2283.4262
|
||
|
299 -263.582465 0.196E-03 0.484650 0.158E-02 0.010591 0.260E-04 2285.9419
|
||
|
301 -263.582476 0.195E-03 0.484749 0.158E-02 0.010593 0.259E-04 2288.4777
|
||
|
302 -263.582465 0.195E-03 0.484662 0.157E-02 0.010591 0.258E-04 2291.0170
|
||
|
304 -263.582452 0.194E-03 0.484585 0.157E-02 0.010589 0.258E-04 2292.7619
|
||
|
305 -263.582446 0.194E-03 0.484538 0.156E-02 0.010588 0.257E-04 2295.7278
|
||
|
306 -263.582453 0.193E-03 0.484566 0.156E-02 0.010590 0.257E-04 2299.0179
|
||
|
307 -263.582446 0.193E-03 0.484510 0.156E-02 0.010588 0.256E-04 2302.9943
|
||
|
308 -263.582433 0.192E-03 0.484412 0.155E-02 0.010587 0.256E-04 2305.5198
|
||
|
310 -263.582479 0.194E-03 0.484777 0.157E-02 0.010593 0.258E-04 2311.5013
|
||
|
311 -263.582503 0.195E-03 0.484954 0.157E-02 0.010596 0.259E-04 2314.1629
|
||
|
312 -263.582502 0.195E-03 0.484971 0.157E-02 0.010595 0.258E-04 2316.7406
|
||
|
313 -263.582491 0.194E-03 0.484888 0.157E-02 0.010594 0.258E-04 2319.0795
|
||
|
314 -263.582487 0.194E-03 0.484860 0.156E-02 0.010593 0.257E-04 2320.7444
|
||
|
316 -263.582480 0.193E-03 0.484785 0.156E-02 0.010593 0.257E-04 2325.2279
|
||
|
317 -263.582484 0.193E-03 0.484821 0.155E-02 0.010593 0.256E-04 2328.9021
|
||
|
318 -263.582485 0.192E-03 0.484819 0.155E-02 0.010593 0.255E-04 2330.1504
|
||
|
319 -263.582469 0.192E-03 0.484679 0.155E-02 0.010592 0.255E-04 2331.1773
|
||
|
320 -263.582477 0.192E-03 0.484740 0.155E-02 0.010593 0.254E-04 2334.0116
|
||
|
322 -263.582508 0.192E-03 0.484952 0.155E-02 0.010597 0.254E-04 2338.0316
|
||
|
323 -263.582500 0.191E-03 0.484873 0.154E-02 0.010597 0.253E-04 2339.1419
|
||
|
324 -263.582492 0.191E-03 0.484816 0.154E-02 0.010595 0.253E-04 2341.6829
|
||
|
325 -263.582490 0.190E-03 0.484803 0.154E-02 0.010595 0.252E-04 2344.0712
|
||
|
328 -263.582475 0.189E-03 0.484671 0.153E-02 0.010593 0.251E-04 2349.0424
|
||
|
329 -263.582476 0.189E-03 0.484675 0.152E-02 0.010593 0.250E-04 2352.8813
|
||
|
331 -263.582484 0.187E-03 0.484724 0.151E-02 0.010595 0.248E-04 2358.1774
|
||
|
332 -263.582497 0.187E-03 0.484816 0.151E-02 0.010597 0.249E-04 2359.6887
|
||
|
333 -263.582516 0.188E-03 0.484968 0.152E-02 0.010599 0.249E-04 2361.1468
|
||
|
335 -263.582485 0.188E-03 0.484734 0.152E-02 0.010595 0.250E-04 2363.5086
|
||
|
336 -263.582501 0.188E-03 0.484876 0.152E-02 0.010597 0.250E-04 2364.5815
|
||
|
339 -263.582527 0.187E-03 0.485122 0.151E-02 0.010600 0.248E-04 2370.4715
|
||
|
342 -263.582560 0.185E-03 0.485339 0.150E-02 0.010604 0.245E-04 2373.7560
|
||
|
343 -263.582550 0.185E-03 0.485264 0.149E-02 0.010603 0.245E-04 2377.0860
|
||
|
346 -263.582544 0.183E-03 0.485229 0.148E-02 0.010602 0.243E-04 2381.6304
|
||
|
347 -263.582530 0.183E-03 0.485093 0.148E-02 0.010601 0.243E-04 2385.0396
|
||
|
348 -263.582550 0.184E-03 0.485248 0.149E-02 0.010603 0.244E-04 2386.0518
|
||
|
350 -263.582538 0.183E-03 0.485186 0.148E-02 0.010601 0.243E-04 2390.5089
|
||
|
351 -263.582541 0.183E-03 0.485179 0.148E-02 0.010602 0.242E-04 2392.1793
|
||
|
352 -263.582548 0.182E-03 0.485256 0.147E-02 0.010603 0.242E-04 2398.8320
|
||
|
357 -263.582555 0.180E-03 0.485336 0.146E-02 0.010604 0.239E-04 2402.0179
|
||
|
358 -263.582560 0.180E-03 0.485375 0.145E-02 0.010604 0.238E-04 2403.3015
|
||
|
359 -263.582558 0.179E-03 0.485361 0.145E-02 0.010604 0.238E-04 2409.6007
|
||
|
361 -263.582600 0.178E-03 0.485737 0.144E-02 0.010609 0.236E-04 2412.8988
|
||
|
362 -263.582589 0.178E-03 0.485646 0.144E-02 0.010607 0.236E-04 2414.1316
|
||
|
363 -263.582581 0.178E-03 0.485577 0.144E-02 0.010606 0.235E-04 2415.5979
|
||
|
364 -263.582575 0.177E-03 0.485538 0.144E-02 0.010605 0.235E-04 2418.6125
|
||
|
366 -263.582556 0.177E-03 0.485370 0.143E-02 0.010603 0.234E-04 2421.0751
|
||
|
367 -263.582548 0.177E-03 0.485289 0.143E-02 0.010602 0.234E-04 2422.2625
|
||
|
368 -263.582543 0.176E-03 0.485251 0.143E-02 0.010601 0.233E-04 2423.4348
|
||
|
369 -263.582531 0.176E-03 0.485156 0.143E-02 0.010600 0.233E-04 2425.8938
|
||
|
371 -263.582516 0.175E-03 0.485015 0.142E-02 0.010598 0.232E-04 2430.0562
|
||
|
372 -263.582509 0.175E-03 0.484952 0.142E-02 0.010597 0.232E-04 2433.4408
|
||
|
374 -263.582498 0.175E-03 0.484856 0.142E-02 0.010596 0.231E-04 2437.3784
|
||
|
375 -263.582485 0.174E-03 0.484759 0.142E-02 0.010594 0.231E-04 2438.5264
|
||
|
377 -263.582494 0.174E-03 0.484825 0.141E-02 0.010596 0.230E-04 2440.7155
|
||
|
378 -263.582496 0.173E-03 0.484840 0.141E-02 0.010596 0.229E-04 2442.7302
|
||
|
379 -263.582495 0.173E-03 0.484842 0.140E-02 0.010596 0.229E-04 2445.8680
|
||
|
380 -263.582500 0.172E-03 0.484882 0.140E-02 0.010596 0.228E-04 2449.3282
|
||
|
381 -263.582515 0.173E-03 0.485010 0.140E-02 0.010598 0.228E-04 2451.1570
|
||
|
382 -263.582529 0.173E-03 0.485120 0.140E-02 0.010600 0.228E-04 2452.7708
|
||
|
383 -263.582576 0.171E-03 0.485523 0.139E-02 0.010606 0.226E-04 2454.1307
|
||
|
384 -263.582576 0.171E-03 0.485532 0.139E-02 0.010606 0.226E-04 2457.2729
|
||
|
385 -263.582562 0.171E-03 0.485412 0.139E-02 0.010604 0.226E-04 2458.8598
|
||
|
386 -263.582563 0.171E-03 0.485402 0.139E-02 0.010604 0.225E-04 2460.4260
|
||
|
387 -263.582561 0.170E-03 0.485394 0.138E-02 0.010604 0.225E-04 2464.5514
|
||
|
388 -263.582563 0.170E-03 0.485413 0.138E-02 0.010604 0.224E-04 2467.7111
|
||
|
389 -263.582559 0.169E-03 0.485376 0.138E-02 0.010604 0.224E-04 2469.4884
|
||
|
392 -263.582561 0.169E-03 0.485370 0.137E-02 0.010604 0.223E-04 2472.2913
|
||
|
393 -263.582560 0.168E-03 0.485367 0.137E-02 0.010604 0.222E-04 2474.3590
|
||
|
394 -263.582561 0.168E-03 0.485394 0.137E-02 0.010604 0.221E-04 2477.5320
|
||
|
395 -263.582572 0.168E-03 0.485498 0.137E-02 0.010605 0.221E-04 2479.8852
|
||
|
397 -263.582568 0.167E-03 0.485476 0.136E-02 0.010604 0.220E-04 2481.9515
|
||
|
398 -263.582578 0.167E-03 0.485552 0.136E-02 0.010606 0.220E-04 2483.5842
|
||
|
399 -263.582588 0.167E-03 0.485621 0.136E-02 0.010608 0.220E-04 2485.2991
|
||
|
401 -263.582597 0.166E-03 0.485674 0.135E-02 0.010609 0.219E-04 2487.3952
|
||
|
402 -263.582591 0.166E-03 0.485624 0.135E-02 0.010608 0.219E-04 2490.0513
|
||
|
403 -263.582595 0.165E-03 0.485642 0.134E-02 0.010609 0.218E-04 2496.3259
|
||
|
404 -263.582600 0.165E-03 0.485673 0.134E-02 0.010610 0.218E-04 2500.5361
|
||
|
409 -263.582571 0.164E-03 0.485441 0.132E-02 0.010606 0.217E-04 2504.4378
|
||
|
411 -263.582584 0.164E-03 0.485549 0.132E-02 0.010607 0.217E-04 2507.7051
|
||
|
412 -263.582572 0.164E-03 0.485450 0.133E-02 0.010606 0.217E-04 2508.9087
|
||
|
413 -263.582565 0.164E-03 0.485395 0.132E-02 0.010605 0.217E-04 2510.1435
|
||
|
415 -263.582565 0.163E-03 0.485376 0.132E-02 0.010605 0.216E-04 2512.7648
|
||
|
417 -263.582560 0.162E-03 0.485328 0.131E-02 0.010605 0.215E-04 2514.3549
|
||
|
418 -263.582563 0.162E-03 0.485352 0.131E-02 0.010605 0.215E-04 2516.4349
|
||
|
420 -263.582556 0.161E-03 0.485285 0.131E-02 0.010604 0.214E-04 2519.0425
|
||
|
421 -263.582548 0.161E-03 0.485230 0.130E-02 0.010603 0.213E-04 2522.6815
|
||
|
422 -263.582549 0.161E-03 0.485227 0.130E-02 0.010603 0.213E-04 2525.7135
|
||
|
423 -263.582552 0.160E-03 0.485264 0.130E-02 0.010604 0.212E-04 2528.5477
|
||
|
425 -263.582572 0.160E-03 0.485412 0.130E-02 0.010606 0.212E-04 2530.7762
|
||
|
427 -263.582583 0.160E-03 0.485517 0.129E-02 0.010608 0.212E-04 2532.7503
|
||
|
428 -263.582593 0.160E-03 0.485591 0.129E-02 0.010609 0.212E-04 2535.0896
|
||
|
430 -263.582596 0.159E-03 0.485614 0.129E-02 0.010610 0.211E-04 2539.3669
|
||
|
432 -263.582606 0.158E-03 0.485728 0.128E-02 0.010610 0.210E-04 2542.0993
|
||
|
433 -263.582618 0.158E-03 0.485792 0.128E-02 0.010612 0.210E-04 2543.9119
|
||
|
434 -263.582601 0.159E-03 0.485662 0.129E-02 0.010610 0.211E-04 2545.0158
|
||
|
436 -263.582593 0.158E-03 0.485591 0.128E-02 0.010609 0.210E-04 2546.3000
|
||
|
437 -263.582594 0.158E-03 0.485608 0.128E-02 0.010609 0.210E-04 2548.6527
|
||
|
438 -263.582593 0.156E-03 0.485592 0.126E-02 0.010609 0.206E-04 2553.4077
|
||
|
440 -263.582586 0.155E-03 0.485534 0.126E-02 0.010608 0.205E-04 2554.9580
|
||
|
441 -263.582586 0.155E-03 0.485548 0.126E-02 0.010608 0.205E-04 2556.1180
|
||
|
442 -263.582601 0.155E-03 0.485664 0.126E-02 0.010610 0.205E-04 2558.1687
|
||
|
444 -263.582593 0.155E-03 0.485592 0.126E-02 0.010609 0.205E-04 2561.4048
|
||
|
446 -263.582590 0.154E-03 0.485543 0.125E-02 0.010609 0.204E-04 2563.5422
|
||
|
448 -263.582588 0.153E-03 0.485505 0.125E-02 0.010609 0.203E-04 2565.1522
|
||
|
450 -263.582573 0.154E-03 0.485393 0.125E-02 0.010607 0.204E-04 2567.5113
|
||
|
452 -263.582566 0.153E-03 0.485353 0.124E-02 0.010606 0.203E-04 2569.8390
|
||
|
453 -263.582555 0.153E-03 0.485252 0.125E-02 0.010605 0.203E-04 2571.0341
|
||
|
454 -263.582548 0.153E-03 0.485196 0.124E-02 0.010604 0.203E-04 2574.4776
|
||
|
455 -263.582550 0.153E-03 0.485220 0.124E-02 0.010604 0.202E-04 2576.7494
|
||
|
456 -263.582545 0.152E-03 0.485176 0.124E-02 0.010603 0.202E-04 2578.9765
|
||
|
459 -263.582538 0.152E-03 0.485101 0.123E-02 0.010603 0.201E-04 2581.6869
|
||
|
462 -263.582541 0.152E-03 0.485139 0.123E-02 0.010603 0.200E-04 2585.3058
|
||
|
463 -263.582536 0.151E-03 0.485110 0.123E-02 0.010602 0.200E-04 2587.5546
|
||
|
467 -263.582517 0.150E-03 0.484966 0.122E-02 0.010599 0.199E-04 2590.0472
|
||
|
469 -263.582520 0.150E-03 0.484995 0.122E-02 0.010600 0.198E-04 2591.1551
|
||
|
471 -263.582526 0.150E-03 0.485045 0.121E-02 0.010601 0.198E-04 2593.2044
|
||
|
473 -263.582517 0.149E-03 0.484978 0.121E-02 0.010599 0.197E-04 2595.7382
|
||
|
474 -263.582521 0.149E-03 0.485009 0.121E-02 0.010600 0.197E-04 2597.4458
|
||
|
475 -263.582518 0.148E-03 0.484966 0.121E-02 0.010600 0.196E-04 2599.6653
|
||
|
477 -263.582530 0.148E-03 0.485045 0.120E-02 0.010601 0.196E-04 2603.2215
|
||
|
480 -263.582537 0.149E-03 0.485092 0.121E-02 0.010602 0.197E-04 2604.8339
|
||
|
481 -263.582534 0.148E-03 0.485075 0.120E-02 0.010602 0.196E-04 2606.3070
|
||
|
482 -263.582536 0.148E-03 0.485069 0.120E-02 0.010603 0.196E-04 2607.8269
|
||
|
483 -263.582535 0.148E-03 0.485065 0.120E-02 0.010602 0.196E-04 2609.3157
|
||
|
484 -263.582531 0.147E-03 0.485054 0.120E-02 0.010602 0.195E-04 2610.7261
|
||
|
485 -263.582525 0.147E-03 0.485009 0.119E-02 0.010601 0.195E-04 2613.3417
|
||
|
487 -263.582534 0.147E-03 0.485102 0.119E-02 0.010602 0.194E-04 2615.7369
|
||
|
488 -263.582532 0.147E-03 0.485077 0.119E-02 0.010602 0.194E-04 2617.4559
|
||
|
489 -263.582542 0.147E-03 0.485128 0.119E-02 0.010604 0.195E-04 2619.8244
|
||
|
490 -263.582541 0.146E-03 0.485141 0.119E-02 0.010603 0.194E-04 2622.0700
|
||
|
492 -263.582524 0.146E-03 0.484999 0.119E-02 0.010601 0.194E-04 2628.4060
|
||
|
495 -263.582536 0.146E-03 0.485096 0.118E-02 0.010603 0.194E-04 2629.6533
|
||
|
496 -263.582508 0.143E-03 0.484941 0.117E-02 0.010598 0.188E-04 2631.2622
|
||
|
497 -263.582510 0.143E-03 0.484944 0.117E-02 0.010598 0.188E-04 2634.9483
|
||
|
501 -263.582515 0.142E-03 0.484975 0.116E-02 0.010599 0.187E-04 2636.3147
|
||
|
503 -263.582523 0.142E-03 0.485048 0.116E-02 0.010600 0.186E-04 2638.1642
|
||
|
505 -263.582514 0.142E-03 0.484966 0.116E-02 0.010599 0.186E-04 2639.5275
|
||
|
508 -263.582524 0.141E-03 0.485074 0.115E-02 0.010600 0.186E-04 2640.6017
|
||
|
510 -263.582521 0.140E-03 0.485049 0.115E-02 0.010600 0.185E-04 2642.3406
|
||
|
511 -263.582526 0.140E-03 0.485085 0.115E-02 0.010600 0.185E-04 2644.1177
|
||
|
513 -263.582524 0.140E-03 0.485077 0.114E-02 0.010600 0.184E-04 2645.6968
|
||
|
515 -263.582519 0.139E-03 0.485035 0.114E-02 0.010599 0.183E-04 2648.1551
|
||
|
516 -263.582537 0.140E-03 0.485168 0.114E-02 0.010601 0.185E-04 2650.3473
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
1.060196740577411E-002
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.428902 GB ] [ VIRT MEM : 14.208912 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 9877.435279 s ] [ CPU TIME: 576477.537732 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 1310716
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.428326 GB ] [ VIRT MEM : 14.209404 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 9877.466993 s ] [ CPU TIME: 576477.569314 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 1310716
|
||
|
* pt2_n_tasks_max 132
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.9204300861652888
|
||
|
|
||
|
Summary at N_det = 1310720
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.51273091
|
||
|
# PT2 -0.06981158 0.00013967
|
||
|
# rPT2 -0.06907920 0.00013820
|
||
|
#
|
||
|
# E+PT2 -263.58254249 0.00013967
|
||
|
# E+rPT2 -263.58181012 0.00013820
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 1310720
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 4.501274924337675E-003
|
||
|
E = -263.512730914524
|
||
|
Variance = 0.485228823293536 +/- 1.139695957175846E-003
|
||
|
PT norm = 0.102965855533638 +/- 8.940467306316563E-005
|
||
|
PT2 = -6.981157851570632E-002 +/- 1.396702353131601E-004
|
||
|
rPT2 = -6.907920305648463E-002 +/- 1.382049905084739E-004
|
||
|
E+PT2 = -263.582542493040 +/- 1.396702353131601E-004
|
||
|
E+rPT2 = -263.581810117581 +/- 1.382049905084739E-004
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.59756516755
|
||
|
Vee = 296.539162872513
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.294131160075
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.0788 -263.61164825
|
||
|
-0.0896 -263.61043336
|
||
|
-0.1016 -263.61069414
|
||
|
-0.1155 -263.61044860
|
||
|
-0.1329 -263.60918602
|
||
|
-0.1541 -263.60863871
|
||
|
-0.1816 -263.60805238
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 222377
|
||
|
* Number of unique beta determinants 222323
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.853298 GB ] [ VIRT MEM : 14.691601 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 10787.274635 s ] [ CPU TIME: 577860.482101 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 2621440
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 4.839260764420033
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.5127309145 0.004501 0.210E-02
|
||
|
1 -263.5251060276 0.004122 0.176E-03
|
||
|
2 -263.5253457711 0.004151 0.105E-04
|
||
|
3 -263.5253751258 0.004177 0.164E-05
|
||
|
4 -263.5253806500 0.004177 0.324E-06
|
||
|
5 -263.5253818069 0.004167 0.572E-07
|
||
|
6 -263.5253820277 0.004163 0.125E-07
|
||
|
7 -263.5253820722 0.004161 0.253E-08
|
||
|
8 -263.5253820807 0.004161 0.470E-09
|
||
|
9 -263.5253820823 0.004160 0.854E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 7.705433 GB ] [ VIRT MEM : 18.080402 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 19906.552368 s ] [ CPU TIME: 589016.990798 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.166454 GB ] [ VIRT MEM : 14.953926 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 19906.793604 s ] [ CPU TIME: 589035.345547 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.5253820822948
|
||
|
* S^2 of state 1 0.4160088177390150E-02
|
||
|
* Saved determinants 2621440
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.120495 GB ] [ VIRT MEM : 14.924629 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 19926.993590 s ] [ CPU TIME: 589240.258091 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 2621438
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 4.749805 GB ] [ VIRT MEM : 14.574738 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 19928.442595 s ] [ CPU TIME: 589347.861811 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 2621438
|
||
|
* pt2_n_tasks_max 263
|
||
|
* PT2 Energy denominator -263.5253820822948
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.062630 GB ] [ VIRT MEM : 14.888710 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 19929.620496 s ] [ CPU TIME: 589458.640464 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 2621438
|
||
|
* Number of comb teeth 100
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.062630 GB ] [ VIRT MEM : 14.888710 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 19929.659757 s ] [ CPU TIME: 589458.679597 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 2621438
|
||
|
* pt2_n_tasks_max 263
|
||
|
* Number of tasks 2889090
|
||
|
* Number of fragmented tasks 10664
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 50.31359925962985
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.581685 0.283E-02 0.401361 0.199E-01 0.008309 0.425E-03 2158.7999
|
||
|
4 -263.583221 0.255E-02 0.413828 0.193E-01 0.008500 0.352E-03 2522.6887
|
||
|
5 -263.584106 0.215E-02 0.422077 0.173E-01 0.008606 0.286E-03 2847.4618
|
||
|
6 -263.583539 0.183E-02 0.417184 0.149E-01 0.008538 0.241E-03 3182.9546
|
||
|
7 -263.583823 0.156E-02 0.418127 0.126E-01 0.008593 0.209E-03 3422.1823
|
||
|
8 -263.584171 0.139E-02 0.421010 0.112E-01 0.008646 0.188E-03 3754.9687
|
||
|
9 -263.583919 0.125E-02 0.418889 0.101E-01 0.008618 0.167E-03 4037.0396
|
||
|
10 -263.583817 0.111E-02 0.417123 0.914E-02 0.008620 0.147E-03 4091.2418
|
||
|
11 -263.584288 0.111E-02 0.420564 0.897E-02 0.008685 0.148E-03 4139.1435
|
||
|
12 -263.584456 0.103E-02 0.421846 0.836E-02 0.008707 0.135E-03 4329.4901
|
||
|
13 -263.584837 0.102E-02 0.424063 0.798E-02 0.008773 0.141E-03 4388.2816
|
||
|
14 -263.584690 0.951E-03 0.423108 0.744E-02 0.008750 0.132E-03 4566.9233
|
||
|
15 -263.584717 0.884E-03 0.422985 0.688E-02 0.008763 0.124E-03 4657.4925
|
||
|
16 -263.584672 0.827E-03 0.422868 0.643E-02 0.008755 0.116E-03 4679.1158
|
||
|
17 -263.584683 0.777E-03 0.423196 0.604E-02 0.008752 0.109E-03 4722.0616
|
||
|
18 -263.584627 0.732E-03 0.422720 0.574E-02 0.008745 0.102E-03 4832.6477
|
||
|
19 -263.584827 0.721E-03 0.423729 0.552E-02 0.008781 0.103E-03 5031.4839
|
||
|
20 -263.585217 0.782E-03 0.426465 0.589E-02 0.008839 0.113E-03 5242.5695
|
||
|
21 -263.584884 0.817E-03 0.423720 0.625E-02 0.008796 0.115E-03 5272.0805
|
||
|
22 -263.584896 0.777E-03 0.423636 0.595E-02 0.008799 0.110E-03 5328.9318
|
||
|
23 -263.584811 0.747E-03 0.423009 0.572E-02 0.008789 0.106E-03 5391.0278
|
||
|
24 -263.585010 0.743E-03 0.424768 0.575E-02 0.008812 0.104E-03 5486.9994
|
||
|
25 -263.585532 0.887E-03 0.428457 0.660E-02 0.008886 0.126E-03 5534.8086
|
||
|
26 -263.585549 0.852E-03 0.428662 0.634E-02 0.008887 0.121E-03 5573.8738
|
||
|
27 -263.585617 0.822E-03 0.429323 0.614E-02 0.008894 0.116E-03 5775.2203
|
||
|
28 -263.585665 0.791E-03 0.429623 0.589E-02 0.008904 0.112E-03 5912.4624
|
||
|
29 -263.585651 0.765E-03 0.429560 0.569E-02 0.008900 0.109E-03 6059.6048
|
||
|
30 -263.585558 0.739E-03 0.428593 0.553E-02 0.008893 0.105E-03 6209.2339
|
||
|
31 -263.585646 0.719E-03 0.429319 0.540E-02 0.008905 0.102E-03 6253.2992
|
||
|
32 -263.585571 0.700E-03 0.428866 0.525E-02 0.008893 0.993E-04 6384.7411
|
||
|
33 -263.585761 0.705E-03 0.430200 0.526E-02 0.008920 0.100E-03 6439.2933
|
||
|
34 -263.585546 0.723E-03 0.428258 0.550E-02 0.008897 0.101E-03 6576.8770
|
||
|
35 -263.585708 0.720E-03 0.429750 0.554E-02 0.008913 0.994E-04 6625.7697
|
||
|
36 -263.585724 0.701E-03 0.430146 0.541E-02 0.008910 0.966E-04 6670.7408
|
||
|
37 -263.585707 0.682E-03 0.429913 0.527E-02 0.008909 0.940E-04 6711.9940
|
||
|
38 -263.585689 0.664E-03 0.429944 0.513E-02 0.008903 0.916E-04 6745.5879
|
||
|
39 -263.585823 0.661E-03 0.430498 0.504E-02 0.008930 0.924E-04 6808.1073
|
||
|
40 -263.585852 0.645E-03 0.430940 0.494E-02 0.008930 0.901E-04 6851.0073
|
||
|
41 -263.585789 0.632E-03 0.430264 0.486E-02 0.008925 0.880E-04 6955.2324
|
||
|
42 -263.585971 0.641E-03 0.431809 0.499E-02 0.008948 0.884E-04 7042.2814
|
||
|
43 -263.586000 0.627E-03 0.432031 0.487E-02 0.008952 0.864E-04 7152.8624
|
||
|
44 -263.585928 0.617E-03 0.431588 0.478E-02 0.008940 0.852E-04 7188.6723
|
||
|
45 -263.586066 0.617E-03 0.432496 0.476E-02 0.008962 0.854E-04 7232.1198
|
||
|
46 -263.586073 0.603E-03 0.432728 0.467E-02 0.008961 0.835E-04 7259.5288
|
||
|
47 -263.586103 0.591E-03 0.432783 0.456E-02 0.008969 0.821E-04 7331.6636
|
||
|
48 -263.586100 0.577E-03 0.432691 0.446E-02 0.008969 0.804E-04 7375.6321
|
||
|
49 -263.586170 0.568E-03 0.433076 0.437E-02 0.008982 0.795E-04 7432.7547
|
||
|
50 -263.586172 0.557E-03 0.433199 0.428E-02 0.008981 0.778E-04 7489.0348
|
||
|
51 -263.586079 0.559E-03 0.432458 0.431E-02 0.008969 0.778E-04 7537.7230
|
||
|
52 -263.586043 0.549E-03 0.432276 0.423E-02 0.008964 0.765E-04 7565.0667
|
||
|
53 -263.585959 0.545E-03 0.431655 0.420E-02 0.008952 0.760E-04 7585.4540
|
||
|
54 -263.585913 0.539E-03 0.431153 0.417E-02 0.008949 0.745E-04 7621.6579
|
||
|
55 -263.585892 0.529E-03 0.431035 0.410E-02 0.008946 0.732E-04 7649.0384
|
||
|
56 -263.585906 0.520E-03 0.431206 0.403E-02 0.008946 0.719E-04 7664.6633
|
||
|
58 -263.585919 0.504E-03 0.431465 0.392E-02 0.008945 0.695E-04 7707.9656
|
||
|
59 -263.585919 0.496E-03 0.431399 0.385E-02 0.008947 0.683E-04 7709.3174
|
||
|
60 -263.585920 0.487E-03 0.431343 0.378E-02 0.008948 0.672E-04 7737.7573
|
||
|
61 -263.585966 0.481E-03 0.431776 0.375E-02 0.008953 0.663E-04 7759.0885
|
||
|
62 -263.585933 0.475E-03 0.431450 0.370E-02 0.008950 0.653E-04 7786.4385
|
||
|
63 -263.585953 0.465E-03 0.431640 0.362E-02 0.008952 0.643E-04 7830.7817
|
||
|
64 -263.585984 0.459E-03 0.431940 0.357E-02 0.008955 0.634E-04 7834.6686
|
||
|
65 -263.585995 0.452E-03 0.431990 0.352E-02 0.008957 0.624E-04 7850.8724
|
||
|
66 -263.585995 0.445E-03 0.432069 0.346E-02 0.008956 0.615E-04 7855.7754
|
||
|
67 -263.585945 0.441E-03 0.431609 0.344E-02 0.008950 0.608E-04 7880.7386
|
||
|
68 -263.585894 0.438E-03 0.431191 0.342E-02 0.008944 0.603E-04 7915.2280
|
||
|
69 -263.585937 0.431E-03 0.431526 0.339E-02 0.008949 0.590E-04 7946.5647
|
||
|
70 -263.585922 0.425E-03 0.431479 0.334E-02 0.008947 0.582E-04 7950.1270
|
||
|
71 -263.585820 0.431E-03 0.430593 0.341E-02 0.008935 0.586E-04 7995.6818
|
||
|
72 -263.585849 0.426E-03 0.430843 0.337E-02 0.008937 0.578E-04 8003.8002
|
||
|
73 -263.585783 0.425E-03 0.430325 0.337E-02 0.008928 0.577E-04 8020.5011
|
||
|
74 -263.585849 0.425E-03 0.430842 0.336E-02 0.008937 0.576E-04 8063.8567
|
||
|
75 -263.585881 0.419E-03 0.431080 0.331E-02 0.008941 0.569E-04 8078.9728
|
||
|
76 -263.585942 0.418E-03 0.431542 0.330E-02 0.008949 0.567E-04 8110.5410
|
||
|
77 -263.585908 0.414E-03 0.431235 0.327E-02 0.008945 0.561E-04 8143.6932
|
||
|
78 -263.585920 0.409E-03 0.431245 0.323E-02 0.008948 0.555E-04 8183.2673
|
||
|
79 -263.585941 0.406E-03 0.431376 0.320E-02 0.008952 0.551E-04 8186.6861
|
||
|
80 -263.585893 0.403E-03 0.431018 0.318E-02 0.008944 0.548E-04 8230.3230
|
||
|
81 -263.585907 0.399E-03 0.431041 0.314E-02 0.008948 0.543E-04 8241.3710
|
||
|
82 -263.585924 0.394E-03 0.431196 0.311E-02 0.008949 0.536E-04 8270.9731
|
||
|
83 -263.585861 0.394E-03 0.430718 0.311E-02 0.008940 0.536E-04 8274.6545
|
||
|
84 -263.585884 0.390E-03 0.430824 0.307E-02 0.008945 0.532E-04 8309.7326
|
||
|
85 -263.585869 0.388E-03 0.430755 0.304E-02 0.008942 0.530E-04 8334.9979
|
||
|
86 -263.585838 0.384E-03 0.430501 0.302E-02 0.008937 0.525E-04 8374.0482
|
||
|
87 -263.585783 0.384E-03 0.430041 0.302E-02 0.008931 0.523E-04 8405.5739
|
||
|
88 -263.585817 0.381E-03 0.430245 0.299E-02 0.008936 0.520E-04 8408.4390
|
||
|
89 -263.585889 0.378E-03 0.430754 0.296E-02 0.008947 0.518E-04 8438.4238
|
||
|
90 -263.585951 0.379E-03 0.431267 0.297E-02 0.008954 0.518E-04 8441.9127
|
||
|
91 -263.586006 0.379E-03 0.431701 0.297E-02 0.008961 0.517E-04 8486.5763
|
||
|
92 -263.585999 0.374E-03 0.431674 0.294E-02 0.008959 0.511E-04 8511.0713
|
||
|
93 -263.585966 0.372E-03 0.431433 0.291E-02 0.008955 0.508E-04 8538.3232
|
||
|
94 -263.585958 0.368E-03 0.431425 0.288E-02 0.008953 0.503E-04 8544.1431
|
||
|
95 -263.586005 0.367E-03 0.431845 0.288E-02 0.008958 0.500E-04 8555.0787
|
||
|
96 -263.585979 0.364E-03 0.431670 0.286E-02 0.008954 0.496E-04 8583.0597
|
||
|
97 -263.585996 0.362E-03 0.431883 0.284E-02 0.008955 0.492E-04 8618.0885
|
||
|
98 -263.586022 0.359E-03 0.432196 0.283E-02 0.008956 0.487E-04 8631.8602
|
||
|
99 -263.586038 0.356E-03 0.432304 0.281E-02 0.008959 0.483E-04 8633.2453
|
||
|
100 -263.586064 0.353E-03 0.432531 0.279E-02 0.008962 0.479E-04 8655.7250
|
||
|
101 -263.586028 0.352E-03 0.432201 0.278E-02 0.008958 0.476E-04 8671.6651
|
||
|
103 -263.585977 0.347E-03 0.431704 0.275E-02 0.008952 0.470E-04 8714.2358
|
||
|
104 -263.586010 0.346E-03 0.432132 0.276E-02 0.008954 0.466E-04 8752.5874
|
||
|
105 -263.585992 0.343E-03 0.431994 0.273E-02 0.008952 0.462E-04 8790.6699
|
||
|
107 -263.585941 0.341E-03 0.431555 0.273E-02 0.008945 0.457E-04 8809.9200
|
||
|
109 -263.586012 0.340E-03 0.432357 0.276E-02 0.008951 0.451E-04 8822.4658
|
||
|
110 -263.586071 0.342E-03 0.432895 0.279E-02 0.008958 0.452E-04 8846.8297
|
||
|
111 -263.586097 0.339E-03 0.433202 0.278E-02 0.008960 0.448E-04 8883.3645
|
||
|
112 -263.586056 0.342E-03 0.432904 0.279E-02 0.008954 0.450E-04 8891.9437
|
||
|
113 -263.586003 0.343E-03 0.432475 0.280E-02 0.008947 0.451E-04 8928.8611
|
||
|
114 -263.585997 0.340E-03 0.432407 0.278E-02 0.008947 0.447E-04 8958.8739
|
||
|
115 -263.586080 0.347E-03 0.433117 0.284E-02 0.008957 0.454E-04 8980.9705
|
||
|
116 -263.586082 0.344E-03 0.433066 0.282E-02 0.008958 0.450E-04 8988.4706
|
||
|
117 -263.586069 0.341E-03 0.432930 0.280E-02 0.008957 0.447E-04 8991.2148
|
||
|
118 -263.586114 0.341E-03 0.433306 0.280E-02 0.008963 0.447E-04 9010.0001
|
||
|
119 -263.586140 0.339E-03 0.433518 0.279E-02 0.008966 0.444E-04 9019.6091
|
||
|
120 -263.586124 0.337E-03 0.433293 0.277E-02 0.008966 0.440E-04 9056.9860
|
||
|
121 -263.586078 0.337E-03 0.432925 0.277E-02 0.008959 0.441E-04 9061.8773
|
||
|
122 -263.586040 0.338E-03 0.432742 0.276E-02 0.008953 0.443E-04 9090.2896
|
||
|
123 -263.586011 0.336E-03 0.432547 0.275E-02 0.008949 0.442E-04 9125.7924
|
||
|
124 -263.586069 0.338E-03 0.433134 0.279E-02 0.008955 0.442E-04 9164.5333
|
||
|
125 -263.586058 0.336E-03 0.433037 0.277E-02 0.008953 0.439E-04 9196.4023
|
||
|
126 -263.586069 0.333E-03 0.433200 0.275E-02 0.008953 0.435E-04 9231.4241
|
||
|
127 -263.586055 0.331E-03 0.433047 0.273E-02 0.008952 0.432E-04 9239.1320
|
||
|
128 -263.586014 0.331E-03 0.432697 0.273E-02 0.008947 0.431E-04 9272.7373
|
||
|
129 -263.586015 0.328E-03 0.432719 0.271E-02 0.008947 0.428E-04 9282.9154
|
||
|
131 -263.585991 0.326E-03 0.432459 0.270E-02 0.008945 0.424E-04 9312.7782
|
||
|
132 -263.585937 0.326E-03 0.431973 0.269E-02 0.008939 0.425E-04 9317.6509
|
||
|
133 -263.585970 0.326E-03 0.432355 0.270E-02 0.008942 0.423E-04 9326.6239
|
||
|
134 -263.585960 0.323E-03 0.432224 0.268E-02 0.008941 0.420E-04 9356.0188
|
||
|
135 -263.585956 0.321E-03 0.432171 0.266E-02 0.008941 0.417E-04 9370.8020
|
||
|
136 -263.585917 0.321E-03 0.431882 0.266E-02 0.008936 0.418E-04 9399.8151
|
||
|
137 -263.585952 0.321E-03 0.432173 0.266E-02 0.008940 0.417E-04 9433.2831
|
||
|
138 -263.585934 0.319E-03 0.432039 0.264E-02 0.008938 0.415E-04 9461.2618
|
||
|
139 -263.585980 0.320E-03 0.432464 0.265E-02 0.008943 0.415E-04 9473.6506
|
||
|
141 -263.585984 0.315E-03 0.432587 0.262E-02 0.008943 0.409E-04 9490.1703
|
||
|
142 -263.586062 0.323E-03 0.433262 0.269E-02 0.008952 0.417E-04 9518.5400
|
||
|
143 -263.586049 0.322E-03 0.432985 0.268E-02 0.008953 0.417E-04 9548.9601
|
||
|
144 -263.586020 0.321E-03 0.432731 0.267E-02 0.008950 0.416E-04 9565.3545
|
||
|
145 -263.585980 0.322E-03 0.432406 0.268E-02 0.008945 0.416E-04 9572.6760
|
||
|
146 -263.585956 0.320E-03 0.432181 0.267E-02 0.008942 0.414E-04 9592.5665
|
||
|
147 -263.585951 0.318E-03 0.432190 0.265E-02 0.008941 0.411E-04 9627.5400
|
||
|
148 -263.585939 0.316E-03 0.432142 0.263E-02 0.008938 0.409E-04 9643.0976
|
||
|
149 -263.585950 0.314E-03 0.432165 0.261E-02 0.008941 0.407E-04 9673.5605
|
||
|
150 -263.585947 0.312E-03 0.432108 0.260E-02 0.008941 0.404E-04 9681.3332
|
||
|
151 -263.585988 0.313E-03 0.432402 0.260E-02 0.008947 0.406E-04 9701.9187
|
||
|
152 -263.586043 0.316E-03 0.432761 0.260E-02 0.008955 0.413E-04 9741.3111
|
||
|
153 -263.586007 0.316E-03 0.432464 0.260E-02 0.008951 0.413E-04 9766.8674
|
||
|
154 -263.586017 0.314E-03 0.432517 0.259E-02 0.008952 0.411E-04 9798.9102
|
||
|
155 -263.585994 0.313E-03 0.432338 0.257E-02 0.008950 0.409E-04 9828.0689
|
||
|
156 -263.585976 0.311E-03 0.432240 0.256E-02 0.008946 0.407E-04 9846.0212
|
||
|
157 -263.585982 0.309E-03 0.432253 0.254E-02 0.008948 0.405E-04 9870.9027
|
||
|
158 -263.585988 0.308E-03 0.432287 0.253E-02 0.008949 0.403E-04 9890.2359
|
||
|
159 -263.585977 0.306E-03 0.432184 0.251E-02 0.008948 0.400E-04 9905.5669
|
||
|
160 -263.585929 0.306E-03 0.431844 0.252E-02 0.008941 0.400E-04 9927.5144
|
||
|
161 -263.585992 0.311E-03 0.432404 0.257E-02 0.008949 0.404E-04 9935.1587
|
||
|
162 -263.585994 0.309E-03 0.432389 0.255E-02 0.008949 0.402E-04 9944.1843
|
||
|
163 -263.586014 0.308E-03 0.432559 0.254E-02 0.008951 0.400E-04 9979.9279
|
||
|
165 -263.586043 0.308E-03 0.432797 0.254E-02 0.008955 0.401E-04 10009.0824
|
||
|
167 -263.586020 0.305E-03 0.432628 0.252E-02 0.008951 0.398E-04 10025.7536
|
||
|
168 -263.586003 0.304E-03 0.432588 0.250E-02 0.008948 0.397E-04 10050.0397
|
||
|
169 -263.586026 0.303E-03 0.432787 0.249E-02 0.008951 0.394E-04 10076.6636
|
||
|
170 -263.586023 0.301E-03 0.432745 0.248E-02 0.008950 0.392E-04 10113.2175
|
||
|
171 -263.586004 0.300E-03 0.432589 0.247E-02 0.008948 0.390E-04 10132.8035
|
||
|
172 -263.586033 0.299E-03 0.432774 0.246E-02 0.008953 0.391E-04 10167.8334
|
||
|
173 -263.586030 0.298E-03 0.432722 0.245E-02 0.008953 0.388E-04 10173.2294
|
||
|
174 -263.586041 0.296E-03 0.432822 0.244E-02 0.008954 0.386E-04 10198.4923
|
||
|
175 -263.586044 0.294E-03 0.432849 0.242E-02 0.008954 0.384E-04 10235.0481
|
||
|
176 -263.586028 0.293E-03 0.432741 0.241E-02 0.008952 0.383E-04 10246.0336
|
||
|
177 -263.586031 0.291E-03 0.432765 0.240E-02 0.008952 0.381E-04 10263.9617
|
||
|
178 -263.585988 0.293E-03 0.432394 0.241E-02 0.008947 0.382E-04 10267.8058
|
||
|
179 -263.585981 0.291E-03 0.432374 0.240E-02 0.008945 0.380E-04 10275.6634
|
||
|
180 -263.585988 0.290E-03 0.432396 0.239E-02 0.008947 0.378E-04 10278.8010
|
||
|
181 -263.586007 0.289E-03 0.432546 0.238E-02 0.008949 0.377E-04 10310.9324
|
||
|
182 -263.586010 0.288E-03 0.432573 0.237E-02 0.008949 0.375E-04 10344.6448
|
||
|
183 -263.586008 0.286E-03 0.432543 0.235E-02 0.008949 0.373E-04 10350.4012
|
||
|
185 -263.586038 0.284E-03 0.432826 0.234E-02 0.008953 0.369E-04 10354.3581
|
||
|
186 -263.586048 0.282E-03 0.432853 0.233E-02 0.008955 0.368E-04 10380.7635
|
||
|
187 -263.586050 0.281E-03 0.432834 0.231E-02 0.008955 0.366E-04 10386.3390
|
||
|
188 -263.586049 0.279E-03 0.432857 0.230E-02 0.008955 0.364E-04 10412.3728
|
||
|
189 -263.586027 0.279E-03 0.432646 0.230E-02 0.008953 0.363E-04 10427.5678
|
||
|
190 -263.586022 0.277E-03 0.432564 0.229E-02 0.008953 0.360E-04 10453.8095
|
||
|
191 -263.585997 0.277E-03 0.432329 0.229E-02 0.008950 0.359E-04 10473.7417
|
||
|
192 -263.585990 0.275E-03 0.432269 0.227E-02 0.008949 0.358E-04 10487.9938
|
||
|
193 -263.586025 0.276E-03 0.432549 0.228E-02 0.008954 0.359E-04 10507.0697
|
||
|
194 -263.586002 0.276E-03 0.432355 0.228E-02 0.008951 0.358E-04 10541.1422
|
||
|
195 -263.586023 0.275E-03 0.432547 0.227E-02 0.008953 0.357E-04 10548.1829
|
||
|
196 -263.586039 0.274E-03 0.432702 0.227E-02 0.008955 0.356E-04 10551.8154
|
||
|
197 -263.586070 0.271E-03 0.432930 0.223E-02 0.008959 0.352E-04 10575.4130
|
||
|
198 -263.586080 0.269E-03 0.433013 0.222E-02 0.008961 0.351E-04 10600.4841
|
||
|
199 -263.586065 0.269E-03 0.432830 0.222E-02 0.008960 0.349E-04 10607.9020
|
||
|
201 -263.586120 0.269E-03 0.433280 0.222E-02 0.008967 0.349E-04 10628.4547
|
||
|
202 -263.586106 0.268E-03 0.433179 0.221E-02 0.008965 0.348E-04 10633.7617
|
||
|
203 -263.586094 0.267E-03 0.433092 0.220E-02 0.008963 0.346E-04 10658.5633
|
||
|
204 -263.586074 0.266E-03 0.432916 0.220E-02 0.008961 0.345E-04 10664.7923
|
||
|
205 -263.586061 0.265E-03 0.432797 0.219E-02 0.008959 0.344E-04 10675.4322
|
||
|
206 -263.586068 0.264E-03 0.432860 0.218E-02 0.008960 0.342E-04 10679.8767
|
||
|
207 -263.586042 0.264E-03 0.432650 0.218E-02 0.008957 0.343E-04 10708.0178
|
||
|
208 -263.586029 0.263E-03 0.432560 0.217E-02 0.008955 0.342E-04 10716.2907
|
||
|
209 -263.586034 0.262E-03 0.432611 0.216E-02 0.008955 0.341E-04 10723.7295
|
||
|
210 -263.586027 0.261E-03 0.432545 0.215E-02 0.008955 0.339E-04 10732.4321
|
||
|
211 -263.586014 0.260E-03 0.432454 0.215E-02 0.008953 0.338E-04 10738.1148
|
||
|
212 -263.586028 0.259E-03 0.432541 0.214E-02 0.008955 0.337E-04 10739.7990
|
||
|
213 -263.586028 0.258E-03 0.432543 0.213E-02 0.008955 0.336E-04 10761.7391
|
||
|
214 -263.586044 0.257E-03 0.432670 0.212E-02 0.008957 0.335E-04 10771.4132
|
||
|
215 -263.586038 0.256E-03 0.432612 0.211E-02 0.008956 0.333E-04 10798.9507
|
||
|
216 -263.586046 0.255E-03 0.432657 0.210E-02 0.008958 0.332E-04 10827.3397
|
||
|
217 -263.586036 0.254E-03 0.432529 0.210E-02 0.008957 0.331E-04 10838.1955
|
||
|
218 -263.586050 0.253E-03 0.432623 0.209E-02 0.008959 0.330E-04 10864.9206
|
||
|
219 -263.586067 0.253E-03 0.432787 0.209E-02 0.008961 0.329E-04 10869.8187
|
||
|
220 -263.586062 0.252E-03 0.432742 0.208E-02 0.008960 0.327E-04 10884.6864
|
||
|
221 -263.586100 0.252E-03 0.433073 0.208E-02 0.008965 0.327E-04 10904.8533
|
||
|
222 -263.586099 0.250E-03 0.433069 0.207E-02 0.008964 0.326E-04 10914.3940
|
||
|
223 -263.586124 0.251E-03 0.433254 0.207E-02 0.008968 0.326E-04 10919.6293
|
||
|
224 -263.586138 0.250E-03 0.433386 0.206E-02 0.008969 0.325E-04 10944.4558
|
||
|
226 -263.586100 0.249E-03 0.433101 0.205E-02 0.008964 0.324E-04 10966.4240
|
||
|
227 -263.586100 0.248E-03 0.433117 0.204E-02 0.008964 0.323E-04 10980.0788
|
||
|
228 -263.586119 0.248E-03 0.433275 0.204E-02 0.008966 0.322E-04 11008.0640
|
||
|
229 -263.586110 0.247E-03 0.433201 0.203E-02 0.008965 0.321E-04 11034.0200
|
||
|
230 -263.586128 0.246E-03 0.433312 0.203E-02 0.008968 0.321E-04 11048.5565
|
||
|
231 -263.586132 0.245E-03 0.433328 0.202E-02 0.008969 0.320E-04 11066.9640
|
||
|
232 -263.586115 0.246E-03 0.433192 0.203E-02 0.008966 0.320E-04 11093.2578
|
||
|
234 -263.586123 0.245E-03 0.433257 0.202E-02 0.008967 0.319E-04 11109.8840
|
||
|
235 -263.586146 0.245E-03 0.433415 0.201E-02 0.008971 0.319E-04 11122.1976
|
||
|
236 -263.586131 0.244E-03 0.433288 0.201E-02 0.008969 0.318E-04 11128.1226
|
||
|
237 -263.586123 0.243E-03 0.433223 0.200E-02 0.008968 0.317E-04 11142.5828
|
||
|
239 -263.586106 0.243E-03 0.433075 0.200E-02 0.008966 0.316E-04 11153.0949
|
||
|
240 -263.586088 0.242E-03 0.432921 0.199E-02 0.008963 0.315E-04 11157.8761
|
||
|
241 -263.586097 0.241E-03 0.433015 0.199E-02 0.008964 0.314E-04 11170.8834
|
||
|
242 -263.586094 0.240E-03 0.432959 0.198E-02 0.008964 0.313E-04 11188.2911
|
||
|
243 -263.586073 0.240E-03 0.432792 0.198E-02 0.008962 0.312E-04 11191.7790
|
||
|
244 -263.586092 0.240E-03 0.432906 0.198E-02 0.008965 0.313E-04 11217.9388
|
||
|
245 -263.586099 0.239E-03 0.432966 0.197E-02 0.008966 0.312E-04 11229.5595
|
||
|
247 -263.586107 0.238E-03 0.433048 0.196E-02 0.008967 0.310E-04 11248.2951
|
||
|
248 -263.586078 0.237E-03 0.432837 0.194E-02 0.008963 0.309E-04 11271.6796
|
||
|
250 -263.586100 0.235E-03 0.433056 0.193E-02 0.008965 0.307E-04 11286.7491
|
||
|
251 -263.586095 0.234E-03 0.433028 0.193E-02 0.008964 0.306E-04 11315.0520
|
||
|
252 -263.586092 0.233E-03 0.432997 0.192E-02 0.008964 0.305E-04 11316.6734
|
||
|
253 -263.586063 0.234E-03 0.432756 0.193E-02 0.008960 0.306E-04 11332.1695
|
||
|
254 -263.586080 0.234E-03 0.432891 0.192E-02 0.008962 0.305E-04 11339.8419
|
||
|
255 -263.586071 0.233E-03 0.432829 0.192E-02 0.008961 0.304E-04 11355.3750
|
||
|
256 -263.586069 0.232E-03 0.432811 0.191E-02 0.008960 0.303E-04 11363.6992
|
||
|
257 -263.586067 0.231E-03 0.432801 0.190E-02 0.008960 0.302E-04 11386.6141
|
||
|
258 -263.586064 0.231E-03 0.432769 0.189E-02 0.008960 0.301E-04 11410.8030
|
||
|
259 -263.586062 0.230E-03 0.432764 0.189E-02 0.008959 0.300E-04 11428.1567
|
||
|
260 -263.586054 0.229E-03 0.432709 0.188E-02 0.008958 0.299E-04 11450.0204
|
||
|
261 -263.586051 0.228E-03 0.432681 0.187E-02 0.008958 0.298E-04 11452.8663
|
||
|
262 -263.586060 0.227E-03 0.432764 0.186E-02 0.008959 0.297E-04 11455.7769
|
||
|
263 -263.586058 0.226E-03 0.432734 0.186E-02 0.008959 0.295E-04 11479.5330
|
||
|
264 -263.586049 0.225E-03 0.432659 0.185E-02 0.008958 0.295E-04 11501.3332
|
||
|
265 -263.586044 0.225E-03 0.432625 0.184E-02 0.008957 0.294E-04 11513.2153
|
||
|
266 -263.586049 0.224E-03 0.432646 0.184E-02 0.008958 0.293E-04 11539.3513
|
||
|
267 -263.586050 0.223E-03 0.432660 0.183E-02 0.008958 0.291E-04 11555.7941
|
||
|
268 -263.586058 0.222E-03 0.432716 0.182E-02 0.008959 0.291E-04 11563.3835
|
||
|
269 -263.586066 0.222E-03 0.432759 0.182E-02 0.008960 0.290E-04 11565.1469
|
||
|
270 -263.586074 0.221E-03 0.432793 0.181E-02 0.008961 0.289E-04 11585.4867
|
||
|
271 -263.586076 0.220E-03 0.432772 0.180E-02 0.008962 0.288E-04 11601.5721
|
||
|
272 -263.586069 0.219E-03 0.432749 0.180E-02 0.008961 0.287E-04 11622.1493
|
||
|
273 -263.586068 0.219E-03 0.432750 0.179E-02 0.008961 0.286E-04 11623.6908
|
||
|
274 -263.586072 0.218E-03 0.432764 0.179E-02 0.008961 0.285E-04 11633.2196
|
||
|
275 -263.586072 0.217E-03 0.432748 0.178E-02 0.008962 0.284E-04 11650.6603
|
||
|
276 -263.586069 0.215E-03 0.432718 0.176E-02 0.008961 0.282E-04 11664.8966
|
||
|
277 -263.586043 0.216E-03 0.432515 0.177E-02 0.008958 0.283E-04 11678.3254
|
||
|
278 -263.586039 0.215E-03 0.432479 0.176E-02 0.008957 0.282E-04 11685.7802
|
||
|
279 -263.586070 0.217E-03 0.432781 0.178E-02 0.008960 0.283E-04 11695.8098
|
||
|
280 -263.586079 0.216E-03 0.432844 0.177E-02 0.008962 0.282E-04 11707.4625
|
||
|
281 -263.586074 0.215E-03 0.432811 0.177E-02 0.008961 0.281E-04 11722.5541
|
||
|
282 -263.586072 0.214E-03 0.432797 0.176E-02 0.008961 0.280E-04 11726.8698
|
||
|
283 -263.586044 0.216E-03 0.432596 0.177E-02 0.008957 0.282E-04 11731.4496
|
||
|
284 -263.586036 0.215E-03 0.432515 0.176E-02 0.008956 0.281E-04 11754.5310
|
||
|
285 -263.586046 0.214E-03 0.432603 0.176E-02 0.008957 0.280E-04 11755.7646
|
||
|
286 -263.586040 0.214E-03 0.432576 0.175E-02 0.008956 0.279E-04 11762.2270
|
||
|
287 -263.586037 0.213E-03 0.432533 0.175E-02 0.008956 0.279E-04 11783.0011
|
||
|
288 -263.586025 0.213E-03 0.432429 0.174E-02 0.008954 0.278E-04 11793.6670
|
||
|
289 -263.586017 0.212E-03 0.432352 0.174E-02 0.008953 0.277E-04 11802.7341
|
||
|
290 -263.586008 0.211E-03 0.432307 0.173E-02 0.008952 0.277E-04 11819.9103
|
||
|
291 -263.585988 0.212E-03 0.432127 0.174E-02 0.008950 0.277E-04 11828.3180
|
||
|
292 -263.585993 0.211E-03 0.432157 0.173E-02 0.008950 0.276E-04 11843.4100
|
||
|
293 -263.585996 0.210E-03 0.432172 0.173E-02 0.008951 0.275E-04 11862.1011
|
||
|
294 -263.586001 0.210E-03 0.432212 0.172E-02 0.008952 0.274E-04 11883.5100
|
||
|
295 -263.586008 0.209E-03 0.432277 0.172E-02 0.008952 0.273E-04 11887.2613
|
||
|
296 -263.586011 0.208E-03 0.432302 0.171E-02 0.008953 0.272E-04 11894.6609
|
||
|
297 -263.585980 0.209E-03 0.432069 0.171E-02 0.008949 0.274E-04 11917.0267
|
||
|
298 -263.585965 0.209E-03 0.431960 0.171E-02 0.008946 0.274E-04 11932.7616
|
||
|
299 -263.585995 0.210E-03 0.432210 0.172E-02 0.008950 0.275E-04 11948.5855
|
||
|
300 -263.586024 0.212E-03 0.432432 0.173E-02 0.008954 0.277E-04 11954.9853
|
||
|
301 -263.586037 0.211E-03 0.432498 0.172E-02 0.008956 0.277E-04 11968.1936
|
||
|
302 -263.586033 0.211E-03 0.432456 0.172E-02 0.008956 0.276E-04 11972.0095
|
||
|
303 -263.586019 0.211E-03 0.432322 0.172E-02 0.008954 0.276E-04 11984.6599
|
||
|
304 -263.586026 0.210E-03 0.432376 0.171E-02 0.008955 0.275E-04 11990.4481
|
||
|
305 -263.586025 0.209E-03 0.432372 0.171E-02 0.008955 0.274E-04 11999.8824
|
||
|
306 -263.586026 0.209E-03 0.432382 0.170E-02 0.008956 0.273E-04 12014.6350
|
||
|
307 -263.586023 0.208E-03 0.432343 0.170E-02 0.008955 0.272E-04 12037.1062
|
||
|
308 -263.586024 0.207E-03 0.432340 0.169E-02 0.008956 0.271E-04 12050.0219
|
||
|
310 -263.586026 0.206E-03 0.432351 0.168E-02 0.008956 0.270E-04 12075.1371
|
||
|
311 -263.586029 0.205E-03 0.432373 0.168E-02 0.008957 0.269E-04 12090.4889
|
||
|
312 -263.586045 0.205E-03 0.432466 0.167E-02 0.008959 0.269E-04 12105.8232
|
||
|
313 -263.586049 0.205E-03 0.432477 0.167E-02 0.008960 0.269E-04 12115.0542
|
||
|
314 -263.586056 0.204E-03 0.432509 0.166E-02 0.008961 0.268E-04 12126.3330
|
||
|
315 -263.586066 0.204E-03 0.432590 0.166E-02 0.008962 0.267E-04 12128.9098
|
||
|
316 -263.586093 0.203E-03 0.432789 0.166E-02 0.008967 0.267E-04 12149.9852
|
||
|
317 -263.586085 0.203E-03 0.432743 0.165E-02 0.008965 0.267E-04 12170.5747
|
||
|
318 -263.586095 0.203E-03 0.432820 0.165E-02 0.008966 0.266E-04 12178.9198
|
||
|
319 -263.586068 0.204E-03 0.432601 0.166E-02 0.008963 0.268E-04 12182.6522
|
||
|
320 -263.586076 0.203E-03 0.432679 0.166E-02 0.008964 0.267E-04 12201.6924
|
||
|
322 -263.586080 0.202E-03 0.432703 0.165E-02 0.008964 0.266E-04 12224.4393
|
||
|
323 -263.586097 0.202E-03 0.432845 0.165E-02 0.008966 0.265E-04 12228.6915
|
||
|
324 -263.586092 0.202E-03 0.432792 0.164E-02 0.008966 0.265E-04 12239.4694
|
||
|
325 -263.586072 0.202E-03 0.432637 0.165E-02 0.008963 0.265E-04 12254.5048
|
||
|
327 -263.586081 0.201E-03 0.432716 0.164E-02 0.008964 0.264E-04 12257.8351
|
||
|
328 -263.586063 0.201E-03 0.432585 0.164E-02 0.008962 0.264E-04 12284.7444
|
||
|
329 -263.586040 0.202E-03 0.432399 0.165E-02 0.008959 0.265E-04 12302.4572
|
||
|
330 -263.586047 0.202E-03 0.432470 0.164E-02 0.008960 0.265E-04 12314.1135
|
||
|
331 -263.586047 0.199E-03 0.432456 0.162E-02 0.008960 0.262E-04 12333.5275
|
||
|
332 -263.586050 0.199E-03 0.432505 0.162E-02 0.008960 0.261E-04 12338.5069
|
||
|
333 -263.586034 0.199E-03 0.432360 0.162E-02 0.008958 0.261E-04 12343.6218
|
||
|
335 -263.586041 0.198E-03 0.432422 0.161E-02 0.008959 0.260E-04 12364.3405
|
||
|
336 -263.586043 0.197E-03 0.432417 0.161E-02 0.008959 0.260E-04 12368.1530
|
||
|
337 -263.586031 0.197E-03 0.432309 0.161E-02 0.008958 0.259E-04 12373.9579
|
||
|
339 -263.586023 0.196E-03 0.432245 0.160E-02 0.008957 0.258E-04 12380.9312
|
||
|
340 -263.586024 0.196E-03 0.432244 0.159E-02 0.008957 0.257E-04 12389.1938
|
||
|
341 -263.586031 0.195E-03 0.432292 0.159E-02 0.008958 0.256E-04 12390.9214
|
||
|
342 -263.586025 0.195E-03 0.432256 0.159E-02 0.008958 0.256E-04 12412.6888
|
||
|
343 -263.586032 0.194E-03 0.432329 0.158E-02 0.008958 0.255E-04 12424.0999
|
||
|
344 -263.586030 0.194E-03 0.432321 0.158E-02 0.008958 0.254E-04 12434.8232
|
||
|
345 -263.586046 0.194E-03 0.432434 0.158E-02 0.008960 0.255E-04 12436.0259
|
||
|
346 -263.586061 0.194E-03 0.432562 0.158E-02 0.008962 0.255E-04 12459.8073
|
||
|
347 -263.586083 0.194E-03 0.432750 0.158E-02 0.008965 0.256E-04 12467.8490
|
||
|
348 -263.586064 0.195E-03 0.432594 0.159E-02 0.008962 0.256E-04 12473.5068
|
||
|
349 -263.586077 0.195E-03 0.432701 0.159E-02 0.008964 0.256E-04 12479.8247
|
||
|
350 -263.586100 0.195E-03 0.432892 0.159E-02 0.008967 0.256E-04 12497.5977
|
||
|
351 -263.586109 0.194E-03 0.432957 0.158E-02 0.008968 0.256E-04 12508.1347
|
||
|
352 -263.586107 0.194E-03 0.432937 0.158E-02 0.008968 0.255E-04 12523.0191
|
||
|
353 -263.586101 0.193E-03 0.432870 0.158E-02 0.008968 0.254E-04 12524.5637
|
||
|
354 -263.586108 0.193E-03 0.432925 0.157E-02 0.008968 0.254E-04 12527.7035
|
||
|
356 -263.586110 0.192E-03 0.432959 0.157E-02 0.008968 0.253E-04 12538.4772
|
||
|
357 -263.586123 0.192E-03 0.433076 0.157E-02 0.008970 0.252E-04 12552.9521
|
||
|
358 -263.586123 0.192E-03 0.433075 0.156E-02 0.008970 0.252E-04 12556.4907
|
||
|
359 -263.586112 0.191E-03 0.432964 0.156E-02 0.008969 0.251E-04 12575.6704
|
||
|
360 -263.586102 0.191E-03 0.432875 0.156E-02 0.008968 0.251E-04 12585.1366
|
||
|
361 -263.586097 0.191E-03 0.432831 0.156E-02 0.008967 0.250E-04 12605.7931
|
||
|
362 -263.586100 0.190E-03 0.432865 0.155E-02 0.008967 0.250E-04 12615.2880
|
||
|
363 -263.586105 0.190E-03 0.432871 0.155E-02 0.008969 0.249E-04 12620.1593
|
||
|
364 -263.586085 0.190E-03 0.432700 0.155E-02 0.008966 0.250E-04 12635.6054
|
||
|
365 -263.586092 0.190E-03 0.432745 0.155E-02 0.008967 0.249E-04 12646.5412
|
||
|
367 -263.586105 0.189E-03 0.432858 0.154E-02 0.008969 0.248E-04 12653.0804
|
||
|
368 -263.586089 0.189E-03 0.432717 0.155E-02 0.008967 0.248E-04 12662.1614
|
||
|
369 -263.586085 0.187E-03 0.432734 0.153E-02 0.008966 0.245E-04 12675.7015
|
||
|
370 -263.586082 0.186E-03 0.432726 0.152E-02 0.008965 0.244E-04 12679.6875
|
||
|
371 -263.586075 0.186E-03 0.432655 0.152E-02 0.008965 0.243E-04 12699.6542
|
||
|
372 -263.586073 0.185E-03 0.432624 0.152E-02 0.008965 0.243E-04 12721.2883
|
||
|
373 -263.586072 0.185E-03 0.432631 0.151E-02 0.008964 0.242E-04 12726.4037
|
||
|
374 -263.586070 0.184E-03 0.432606 0.151E-02 0.008964 0.242E-04 12739.0379
|
||
|
375 -263.586076 0.184E-03 0.432651 0.150E-02 0.008965 0.241E-04 12751.0307
|
||
|
377 -263.586066 0.183E-03 0.432564 0.150E-02 0.008964 0.240E-04 12754.7765
|
||
|
378 -263.586073 0.183E-03 0.432639 0.150E-02 0.008965 0.240E-04 12772.8746
|
||
|
379 -263.586105 0.185E-03 0.432886 0.151E-02 0.008969 0.243E-04 12785.6010
|
||
|
380 -263.586111 0.185E-03 0.432951 0.151E-02 0.008969 0.242E-04 12798.8928
|
||
|
381 -263.586112 0.184E-03 0.432971 0.151E-02 0.008969 0.242E-04 12802.8514
|
||
|
382 -263.586123 0.184E-03 0.433048 0.150E-02 0.008971 0.241E-04 12815.4042
|
||
|
383 -263.586113 0.184E-03 0.432975 0.150E-02 0.008969 0.241E-04 12828.3587
|
||
|
384 -263.586128 0.184E-03 0.433107 0.150E-02 0.008971 0.241E-04 12835.2603
|
||
|
385 -263.586129 0.183E-03 0.433158 0.150E-02 0.008971 0.240E-04 12844.2744
|
||
|
386 -263.586126 0.183E-03 0.433136 0.150E-02 0.008970 0.240E-04 12861.3078
|
||
|
387 -263.586137 0.183E-03 0.433184 0.149E-02 0.008972 0.240E-04 12880.1415
|
||
|
388 -263.586141 0.182E-03 0.433189 0.149E-02 0.008973 0.240E-04 12894.3657
|
||
|
389 -263.586142 0.182E-03 0.433196 0.149E-02 0.008974 0.239E-04 12902.5993
|
||
|
391 -263.586124 0.181E-03 0.433048 0.148E-02 0.008971 0.238E-04 12903.6487
|
||
|
392 -263.586108 0.182E-03 0.432918 0.148E-02 0.008969 0.239E-04 12912.0100
|
||
|
393 -263.586112 0.181E-03 0.432970 0.148E-02 0.008969 0.238E-04 12922.4271
|
||
|
394 -263.586110 0.181E-03 0.432955 0.148E-02 0.008969 0.237E-04 12939.2424
|
||
|
395 -263.586102 0.181E-03 0.432894 0.148E-02 0.008968 0.237E-04 12953.3294
|
||
|
396 -263.586095 0.180E-03 0.432858 0.147E-02 0.008967 0.237E-04 12956.2887
|
||
|
397 -263.586118 0.179E-03 0.433048 0.147E-02 0.008970 0.236E-04 12963.1166
|
||
|
398 -263.586131 0.180E-03 0.433182 0.147E-02 0.008971 0.236E-04 12977.6402
|
||
|
400 -263.586122 0.179E-03 0.433083 0.146E-02 0.008970 0.235E-04 12980.4867
|
||
|
401 -263.586118 0.178E-03 0.433064 0.146E-02 0.008969 0.234E-04 12987.3839
|
||
|
402 -263.586114 0.178E-03 0.433018 0.146E-02 0.008969 0.234E-04 12999.8781
|
||
|
403 -263.586120 0.178E-03 0.433078 0.145E-02 0.008970 0.233E-04 13024.2009
|
||
|
404 -263.586119 0.177E-03 0.433074 0.145E-02 0.008969 0.233E-04 13026.9444
|
||
|
405 -263.586121 0.177E-03 0.433131 0.145E-02 0.008969 0.232E-04 13042.8624
|
||
|
406 -263.586118 0.176E-03 0.433084 0.144E-02 0.008969 0.231E-04 13052.7997
|
||
|
407 -263.586119 0.176E-03 0.433094 0.144E-02 0.008969 0.231E-04 13057.0669
|
||
|
409 -263.586096 0.176E-03 0.432919 0.144E-02 0.008966 0.232E-04 13070.2078
|
||
|
410 -263.586091 0.176E-03 0.432886 0.144E-02 0.008965 0.231E-04 13075.1973
|
||
|
411 -263.586096 0.176E-03 0.432924 0.144E-02 0.008966 0.231E-04 13090.8692
|
||
|
412 -263.586087 0.175E-03 0.432843 0.144E-02 0.008965 0.230E-04 13104.8273
|
||
|
414 -263.586098 0.175E-03 0.432971 0.144E-02 0.008966 0.229E-04 13108.0877
|
||
|
415 -263.586097 0.175E-03 0.432953 0.143E-02 0.008966 0.229E-04 13115.8928
|
||
|
416 -263.586091 0.174E-03 0.432916 0.143E-02 0.008965 0.229E-04 13118.5553
|
||
|
417 -263.586084 0.174E-03 0.432869 0.143E-02 0.008964 0.228E-04 13123.8319
|
||
|
418 -263.586083 0.174E-03 0.432882 0.142E-02 0.008963 0.228E-04 13137.7777
|
||
|
420 -263.586079 0.173E-03 0.432848 0.142E-02 0.008963 0.227E-04 13149.4758
|
||
|
421 -263.586073 0.173E-03 0.432797 0.142E-02 0.008962 0.226E-04 13168.3541
|
||
|
422 -263.586072 0.172E-03 0.432783 0.141E-02 0.008962 0.226E-04 13179.5269
|
||
|
423 -263.586064 0.173E-03 0.432745 0.142E-02 0.008961 0.226E-04 13194.8619
|
||
|
424 -263.586071 0.172E-03 0.432773 0.141E-02 0.008962 0.226E-04 13199.9785
|
||
|
425 -263.586074 0.172E-03 0.432808 0.141E-02 0.008962 0.226E-04 13209.3645
|
||
|
426 -263.586079 0.172E-03 0.432836 0.141E-02 0.008963 0.225E-04 13214.0950
|
||
|
427 -263.586086 0.171E-03 0.432883 0.141E-02 0.008964 0.225E-04 13223.8937
|
||
|
428 -263.586071 0.172E-03 0.432774 0.141E-02 0.008962 0.225E-04 13227.2874
|
||
|
429 -263.586069 0.171E-03 0.432743 0.140E-02 0.008962 0.225E-04 13231.7174
|
||
|
430 -263.586056 0.171E-03 0.432645 0.140E-02 0.008960 0.225E-04 13255.6672
|
||
|
432 -263.586041 0.171E-03 0.432510 0.140E-02 0.008958 0.224E-04 13271.3296
|
||
|
433 -263.586048 0.171E-03 0.432569 0.140E-02 0.008959 0.224E-04 13276.6206
|
||
|
434 -263.586038 0.171E-03 0.432483 0.140E-02 0.008958 0.224E-04 13279.9011
|
||
|
435 -263.586039 0.170E-03 0.432519 0.139E-02 0.008958 0.223E-04 13285.8249
|
||
|
436 -263.586042 0.170E-03 0.432557 0.139E-02 0.008958 0.223E-04 13288.6276
|
||
|
437 -263.586034 0.170E-03 0.432509 0.139E-02 0.008957 0.222E-04 13300.3131
|
||
|
438 -263.586029 0.169E-03 0.432455 0.139E-02 0.008956 0.222E-04 13303.1159
|
||
|
439 -263.586034 0.169E-03 0.432493 0.138E-02 0.008957 0.222E-04 13315.7073
|
||
|
440 -263.586028 0.169E-03 0.432440 0.138E-02 0.008956 0.221E-04 13325.6932
|
||
|
441 -263.586022 0.168E-03 0.432401 0.138E-02 0.008955 0.221E-04 13332.5263
|
||
|
442 -263.586020 0.168E-03 0.432388 0.138E-02 0.008955 0.220E-04 13351.2624
|
||
|
444 -263.586018 0.168E-03 0.432370 0.138E-02 0.008954 0.221E-04 13354.3722
|
||
|
445 -263.586016 0.168E-03 0.432329 0.138E-02 0.008955 0.220E-04 13360.3968
|
||
|
446 -263.586016 0.168E-03 0.432353 0.137E-02 0.008954 0.220E-04 13374.3760
|
||
|
448 -263.586020 0.167E-03 0.432395 0.137E-02 0.008955 0.219E-04 13377.7377
|
||
|
449 -263.586022 0.166E-03 0.432396 0.137E-02 0.008955 0.218E-04 13379.7793
|
||
|
450 -263.586025 0.166E-03 0.432427 0.136E-02 0.008955 0.218E-04 13390.0103
|
||
|
452 -263.586027 0.166E-03 0.432449 0.136E-02 0.008956 0.217E-04 13405.4744
|
||
|
453 -263.586017 0.166E-03 0.432384 0.136E-02 0.008954 0.217E-04 13409.5871
|
||
|
454 -263.586019 0.165E-03 0.432410 0.135E-02 0.008954 0.217E-04 13426.8163
|
||
|
455 -263.586004 0.166E-03 0.432285 0.136E-02 0.008952 0.217E-04 13441.8620
|
||
|
456 -263.586006 0.165E-03 0.432280 0.135E-02 0.008953 0.217E-04 13450.4524
|
||
|
457 -263.586015 0.165E-03 0.432362 0.135E-02 0.008954 0.217E-04 13458.6317
|
||
|
459 -263.586029 0.165E-03 0.432461 0.135E-02 0.008956 0.217E-04 13465.6866
|
||
|
460 -263.586043 0.165E-03 0.432586 0.136E-02 0.008958 0.217E-04 13468.8983
|
||
|
461 -263.586039 0.165E-03 0.432540 0.136E-02 0.008957 0.217E-04 13473.9043
|
||
|
462 -263.586027 0.165E-03 0.432442 0.136E-02 0.008956 0.217E-04 13485.9877
|
||
|
463 -263.586017 0.165E-03 0.432372 0.135E-02 0.008954 0.217E-04 13489.6363
|
||
|
464 -263.586015 0.165E-03 0.432370 0.135E-02 0.008954 0.216E-04 13496.1956
|
||
|
466 -263.585997 0.165E-03 0.432244 0.135E-02 0.008951 0.216E-04 13499.8302
|
||
|
467 -263.585983 0.165E-03 0.432123 0.135E-02 0.008949 0.217E-04 13511.4324
|
||
|
468 -263.585963 0.166E-03 0.431968 0.136E-02 0.008947 0.218E-04 13513.3035
|
||
|
470 -263.585965 0.165E-03 0.431993 0.135E-02 0.008947 0.217E-04 13515.6634
|
||
|
471 -263.585958 0.165E-03 0.431949 0.135E-02 0.008946 0.216E-04 13519.1355
|
||
|
472 -263.585957 0.165E-03 0.431931 0.135E-02 0.008946 0.216E-04 13527.0975
|
||
|
473 -263.585976 0.165E-03 0.432087 0.136E-02 0.008948 0.217E-04 13542.5284
|
||
|
474 -263.585983 0.165E-03 0.432146 0.135E-02 0.008949 0.216E-04 13556.4857
|
||
|
475 -263.585976 0.165E-03 0.432085 0.135E-02 0.008948 0.216E-04 13559.8378
|
||
|
476 -263.585986 0.165E-03 0.432171 0.135E-02 0.008949 0.216E-04 13564.6373
|
||
|
477 -263.585987 0.164E-03 0.432157 0.135E-02 0.008950 0.216E-04 13572.2448
|
||
|
479 -263.585986 0.164E-03 0.432122 0.134E-02 0.008950 0.215E-04 13586.9531
|
||
|
480 -263.585999 0.164E-03 0.432206 0.134E-02 0.008952 0.215E-04 13595.4770
|
||
|
481 -263.586002 0.164E-03 0.432242 0.134E-02 0.008953 0.215E-04 13607.0963
|
||
|
482 -263.586000 0.163E-03 0.432214 0.134E-02 0.008952 0.214E-04 13618.4533
|
||
|
483 -263.585991 0.163E-03 0.432146 0.134E-02 0.008951 0.214E-04 13631.5070
|
||
|
484 -263.585986 0.163E-03 0.432103 0.134E-02 0.008951 0.214E-04 13635.2478
|
||
|
485 -263.586009 0.161E-03 0.432253 0.132E-02 0.008954 0.211E-04 13647.4708
|
||
|
486 -263.585995 0.161E-03 0.432133 0.132E-02 0.008953 0.212E-04 13648.5644
|
||
|
487 -263.585988 0.161E-03 0.432082 0.132E-02 0.008952 0.211E-04 13665.2400
|
||
|
488 -263.585997 0.161E-03 0.432176 0.132E-02 0.008952 0.211E-04 13667.5445
|
||
|
489 -263.586002 0.161E-03 0.432208 0.132E-02 0.008953 0.211E-04 13683.0167
|
||
|
490 -263.585998 0.161E-03 0.432167 0.132E-02 0.008953 0.210E-04 13698.2416
|
||
|
491 -263.586001 0.160E-03 0.432203 0.132E-02 0.008953 0.210E-04 13705.8761
|
||
|
492 -263.586012 0.160E-03 0.432288 0.132E-02 0.008955 0.210E-04 13709.6274
|
||
|
493 -263.586015 0.160E-03 0.432317 0.131E-02 0.008955 0.210E-04 13721.5062
|
||
|
494 -263.586016 0.160E-03 0.432314 0.131E-02 0.008955 0.209E-04 13726.8267
|
||
|
495 -263.586016 0.159E-03 0.432314 0.131E-02 0.008955 0.209E-04 13737.0487
|
||
|
496 -263.586012 0.159E-03 0.432287 0.131E-02 0.008954 0.209E-04 13743.7176
|
||
|
497 -263.586019 0.159E-03 0.432339 0.130E-02 0.008956 0.208E-04 13757.9463
|
||
|
498 -263.586017 0.159E-03 0.432321 0.130E-02 0.008955 0.208E-04 13759.2894
|
||
|
499 -263.586012 0.158E-03 0.432291 0.130E-02 0.008955 0.208E-04 13767.4745
|
||
|
502 -263.586004 0.158E-03 0.432254 0.129E-02 0.008953 0.207E-04 13770.8960
|
||
|
503 -263.586005 0.157E-03 0.432250 0.129E-02 0.008954 0.207E-04 13773.9018
|
||
|
504 -263.586007 0.157E-03 0.432253 0.129E-02 0.008954 0.206E-04 13782.2826
|
||
|
506 -263.586016 0.157E-03 0.432340 0.129E-02 0.008955 0.205E-04 13786.2925
|
||
|
507 -263.586007 0.157E-03 0.432261 0.129E-02 0.008954 0.205E-04 13798.5587
|
||
|
510 -263.585999 0.156E-03 0.432190 0.128E-02 0.008953 0.205E-04 13800.7579
|
||
|
511 -263.585999 0.156E-03 0.432190 0.128E-02 0.008953 0.205E-04 13814.0525
|
||
|
512 -263.586000 0.156E-03 0.432196 0.128E-02 0.008953 0.204E-04 13815.1095
|
||
|
513 -263.586009 0.156E-03 0.432271 0.128E-02 0.008954 0.204E-04 13821.4741
|
||
|
514 -263.586016 0.156E-03 0.432339 0.128E-02 0.008955 0.204E-04 13829.4813
|
||
|
516 -263.586008 0.155E-03 0.432285 0.127E-02 0.008953 0.204E-04 13832.2805
|
||
|
517 -263.586008 0.155E-03 0.432272 0.127E-02 0.008954 0.203E-04 13835.5012
|
||
|
518 -263.585996 0.155E-03 0.432179 0.127E-02 0.008952 0.203E-04 13845.2710
|
||
|
519 -263.586005 0.155E-03 0.432258 0.127E-02 0.008953 0.203E-04 13849.9612
|
||
|
520 -263.586002 0.155E-03 0.432239 0.127E-02 0.008953 0.203E-04 13861.3791
|
||
|
521 -263.586003 0.154E-03 0.432256 0.127E-02 0.008953 0.202E-04 13868.2735
|
||
|
522 -263.586000 0.154E-03 0.432234 0.126E-02 0.008952 0.202E-04 13869.5758
|
||
|
523 -263.585997 0.154E-03 0.432231 0.126E-02 0.008952 0.202E-04 13876.4700
|
||
|
525 -263.586001 0.151E-03 0.432277 0.124E-02 0.008952 0.198E-04 13882.0581
|
||
|
526 -263.585997 0.151E-03 0.432248 0.124E-02 0.008951 0.198E-04 13894.6637
|
||
|
528 -263.585977 0.151E-03 0.432121 0.124E-02 0.008948 0.198E-04 13897.5378
|
||
|
529 -263.585973 0.151E-03 0.432094 0.124E-02 0.008948 0.198E-04 13899.8635
|
||
|
530 -263.585983 0.151E-03 0.432166 0.124E-02 0.008949 0.198E-04 13910.2690
|
||
|
531 -263.585980 0.151E-03 0.432130 0.124E-02 0.008949 0.198E-04 13925.5044
|
||
|
532 -263.585988 0.151E-03 0.432179 0.124E-02 0.008950 0.198E-04 13927.9781
|
||
|
533 -263.585996 0.151E-03 0.432229 0.123E-02 0.008951 0.198E-04 13935.5441
|
||
|
534 -263.585989 0.150E-03 0.432170 0.123E-02 0.008951 0.197E-04 13948.3415
|
||
|
535 -263.585991 0.150E-03 0.432183 0.123E-02 0.008951 0.197E-04 13956.4465
|
||
|
536 -263.585995 0.150E-03 0.432219 0.123E-02 0.008951 0.197E-04 13957.4674
|
||
|
537 -263.585992 0.150E-03 0.432188 0.123E-02 0.008951 0.196E-04 13962.9502
|
||
|
539 -263.585996 0.150E-03 0.432206 0.123E-02 0.008952 0.196E-04 13980.2327
|
||
|
540 -263.585994 0.149E-03 0.432197 0.122E-02 0.008951 0.196E-04 13987.7515
|
||
|
541 -263.585995 0.149E-03 0.432206 0.122E-02 0.008951 0.196E-04 13992.9066
|
||
|
542 -263.586001 0.149E-03 0.432279 0.122E-02 0.008952 0.195E-04 14002.5241
|
||
|
544 -263.585997 0.148E-03 0.432245 0.122E-02 0.008951 0.195E-04 14017.8385
|
||
|
545 -263.585999 0.148E-03 0.432279 0.122E-02 0.008951 0.195E-04 14033.1032
|
||
|
547 -263.585998 0.148E-03 0.432252 0.122E-02 0.008951 0.194E-04 14040.8233
|
||
|
548 -263.585997 0.148E-03 0.432240 0.121E-02 0.008952 0.194E-04 14055.9876
|
||
|
550 -263.585995 0.148E-03 0.432209 0.121E-02 0.008952 0.194E-04 14065.6956
|
||
|
552 -263.585992 0.147E-03 0.432194 0.121E-02 0.008951 0.193E-04 14072.6953
|
||
|
553 -263.585983 0.147E-03 0.432123 0.121E-02 0.008950 0.193E-04 14081.8452
|
||
|
554 -263.585980 0.147E-03 0.432109 0.121E-02 0.008949 0.193E-04 14088.1058
|
||
|
556 -263.585979 0.147E-03 0.432104 0.120E-02 0.008949 0.192E-04 14108.5073
|
||
|
557 -263.585981 0.146E-03 0.432139 0.120E-02 0.008949 0.192E-04 14118.5766
|
||
|
558 -263.585981 0.146E-03 0.432125 0.120E-02 0.008949 0.192E-04 14126.9082
|
||
|
559 -263.585990 0.146E-03 0.432215 0.120E-02 0.008950 0.192E-04 14139.2828
|
||
|
561 -263.586002 0.146E-03 0.432302 0.120E-02 0.008952 0.192E-04 14142.7635
|
||
|
562 -263.586002 0.146E-03 0.432295 0.120E-02 0.008952 0.191E-04 14155.1537
|
||
|
563 -263.586006 0.146E-03 0.432325 0.119E-02 0.008952 0.191E-04 14162.1056
|
||
|
564 -263.586007 0.145E-03 0.432312 0.119E-02 0.008953 0.191E-04 14170.9669
|
||
|
565 -263.586017 0.145E-03 0.432393 0.119E-02 0.008954 0.191E-04 14187.5701
|
||
|
567 -263.586022 0.146E-03 0.432437 0.120E-02 0.008955 0.191E-04 14192.7800
|
||
|
568 -263.586030 0.145E-03 0.432480 0.119E-02 0.008956 0.189E-04 14207.1302
|
||
|
569 -263.586030 0.144E-03 0.432484 0.119E-02 0.008956 0.188E-04 14211.9225
|
||
|
570 -263.586030 0.144E-03 0.432493 0.119E-02 0.008956 0.188E-04 14225.8998
|
||
|
571 -263.586025 0.144E-03 0.432450 0.119E-02 0.008955 0.188E-04 14235.6186
|
||
|
573 -263.586019 0.144E-03 0.432411 0.119E-02 0.008954 0.188E-04 14249.7848
|
||
|
575 -263.586021 0.143E-03 0.432435 0.118E-02 0.008955 0.187E-04 14257.6115
|
||
|
576 -263.586020 0.143E-03 0.432439 0.118E-02 0.008954 0.187E-04 14268.9449
|
||
|
577 -263.586025 0.143E-03 0.432484 0.118E-02 0.008955 0.187E-04 14282.6728
|
||
|
578 -263.586029 0.143E-03 0.432509 0.118E-02 0.008955 0.186E-04 14287.1019
|
||
|
579 -263.586041 0.143E-03 0.432599 0.118E-02 0.008957 0.187E-04 14297.6208
|
||
|
582 -263.586066 0.144E-03 0.432761 0.118E-02 0.008961 0.188E-04 14304.6380
|
||
|
583 -263.586062 0.143E-03 0.432721 0.118E-02 0.008960 0.188E-04 14313.2221
|
||
|
584 -263.586058 0.143E-03 0.432688 0.118E-02 0.008960 0.188E-04 14328.5743
|
||
|
585 -263.586053 0.143E-03 0.432640 0.117E-02 0.008959 0.187E-04 14337.6062
|
||
|
586 -263.586067 0.143E-03 0.432739 0.118E-02 0.008961 0.188E-04 14344.0717
|
||
|
587 -263.586072 0.143E-03 0.432788 0.118E-02 0.008962 0.188E-04 14348.8297
|
||
|
588 -263.586067 0.143E-03 0.432740 0.118E-02 0.008961 0.188E-04 14352.3536
|
||
|
589 -263.586074 0.143E-03 0.432777 0.117E-02 0.008962 0.188E-04 14359.0835
|
||
|
591 -263.586082 0.143E-03 0.432818 0.117E-02 0.008964 0.188E-04 14365.5493
|
||
|
592 -263.586087 0.143E-03 0.432853 0.117E-02 0.008965 0.188E-04 14374.3252
|
||
|
593 -263.586091 0.143E-03 0.432885 0.117E-02 0.008965 0.187E-04 14389.5596
|
||
|
594 -263.586084 0.143E-03 0.432820 0.117E-02 0.008964 0.187E-04 14393.7291
|
||
|
595 -263.586092 0.143E-03 0.432895 0.117E-02 0.008965 0.187E-04 14406.7815
|
||
|
598 -263.586107 0.143E-03 0.433006 0.117E-02 0.008968 0.187E-04 14411.8104
|
||
|
599 -263.586105 0.142E-03 0.432986 0.117E-02 0.008967 0.187E-04 14415.5615
|
||
|
600 -263.586104 0.142E-03 0.432983 0.116E-02 0.008967 0.187E-04 14422.4367
|
||
|
601 -263.586097 0.142E-03 0.432924 0.116E-02 0.008966 0.187E-04 14428.7892
|
||
|
602 -263.586090 0.142E-03 0.432866 0.116E-02 0.008965 0.186E-04 14442.2095
|
||
|
604 -263.586088 0.142E-03 0.432844 0.116E-02 0.008965 0.186E-04 14449.0863
|
||
|
605 -263.586080 0.142E-03 0.432772 0.116E-02 0.008964 0.186E-04 14453.1314
|
||
|
606 -263.586078 0.141E-03 0.432765 0.116E-02 0.008964 0.186E-04 14463.9065
|
||
|
607 -263.586075 0.141E-03 0.432740 0.116E-02 0.008963 0.185E-04 14469.5223
|
||
|
608 -263.586071 0.141E-03 0.432706 0.116E-02 0.008963 0.185E-04 14482.4920
|
||
|
609 -263.586064 0.142E-03 0.432591 0.116E-02 0.008963 0.186E-04 14490.7070
|
||
|
610 -263.586063 0.142E-03 0.432577 0.116E-02 0.008963 0.186E-04 14497.2432
|
||
|
611 -263.586066 0.141E-03 0.432613 0.116E-02 0.008963 0.186E-04 14510.3271
|
||
|
612 -263.586058 0.141E-03 0.432541 0.116E-02 0.008962 0.186E-04 14515.2386
|
||
|
613 -263.586060 0.141E-03 0.432575 0.116E-02 0.008962 0.185E-04 14518.3974
|
||
|
614 -263.586070 0.141E-03 0.432670 0.116E-02 0.008963 0.185E-04 14530.2358
|
||
|
616 -263.586085 0.141E-03 0.432792 0.116E-02 0.008965 0.185E-04 14535.1781
|
||
|
617 -263.586080 0.141E-03 0.432742 0.116E-02 0.008965 0.185E-04 14539.2955
|
||
|
618 -263.586081 0.141E-03 0.432752 0.116E-02 0.008965 0.185E-04 14548.4065
|
||
|
619 -263.586083 0.141E-03 0.432776 0.116E-02 0.008965 0.185E-04 14560.4463
|
||
|
621 -263.586088 0.140E-03 0.432824 0.115E-02 0.008966 0.184E-04 14562.1191
|
||
|
622 -263.586095 0.140E-03 0.432891 0.115E-02 0.008966 0.184E-04 14569.8120
|
||
|
623 -263.586098 0.140E-03 0.432899 0.115E-02 0.008967 0.184E-04 14575.4654
|
||
|
624 -263.586098 0.140E-03 0.432896 0.115E-02 0.008967 0.183E-04 14581.2399
|
||
|
625 -263.586094 0.140E-03 0.432868 0.115E-02 0.008966 0.183E-04 14594.4123
|
||
|
626 -263.586102 0.140E-03 0.432917 0.115E-02 0.008968 0.183E-04 14606.6676
|
||
|
627 -263.586097 0.140E-03 0.432888 0.115E-02 0.008967 0.183E-04 14612.0869
|
||
|
628 -263.586090 0.140E-03 0.432834 0.115E-02 0.008966 0.183E-04 14614.9582
|
||
|
629 -263.586081 0.140E-03 0.432761 0.115E-02 0.008965 0.183E-04 14623.3957
|
||
|
632 -263.586079 0.139E-03 0.432754 0.114E-02 0.008964 0.183E-04 14636.9954
|
||
|
633 -263.586082 0.139E-03 0.432772 0.114E-02 0.008965 0.182E-04 14642.5517
|
||
|
634 -263.586084 0.139E-03 0.432784 0.114E-02 0.008965 0.182E-04 14648.9850
|
||
|
635 -263.586086 0.139E-03 0.432808 0.114E-02 0.008966 0.182E-04 14652.4598
|
||
|
637 -263.586072 0.139E-03 0.432684 0.114E-02 0.008964 0.182E-04 14655.7977
|
||
|
638 -263.586072 0.138E-03 0.432697 0.114E-02 0.008964 0.181E-04 14670.9026
|
||
|
639 -263.586069 0.138E-03 0.432669 0.113E-02 0.008963 0.181E-04 14683.4180
|
||
|
640 -263.586062 0.138E-03 0.432611 0.113E-02 0.008962 0.181E-04 14687.2010
|
||
|
641 -263.586060 0.138E-03 0.432599 0.113E-02 0.008962 0.181E-04 14690.3444
|
||
|
642 -263.586061 0.138E-03 0.432604 0.113E-02 0.008962 0.181E-04 14697.5689
|
||
|
643 -263.586050 0.138E-03 0.432511 0.113E-02 0.008961 0.181E-04 14700.2457
|
||
|
644 -263.586052 0.138E-03 0.432552 0.113E-02 0.008961 0.180E-04 14702.7745
|
||
|
645 -263.586056 0.138E-03 0.432591 0.113E-02 0.008961 0.180E-04 14716.1674
|
||
|
646 -263.586069 0.138E-03 0.432718 0.114E-02 0.008963 0.181E-04 14719.2092
|
||
|
647 -263.586079 0.138E-03 0.432796 0.114E-02 0.008964 0.181E-04 14721.8330
|
||
|
648 -263.586079 0.138E-03 0.432798 0.114E-02 0.008964 0.181E-04 14727.4036
|
||
|
650 -263.586072 0.138E-03 0.432758 0.113E-02 0.008963 0.180E-04 14731.0283
|
||
|
651 -263.586078 0.138E-03 0.432803 0.113E-02 0.008964 0.180E-04 14742.9807
|
||
|
653 -263.586085 0.138E-03 0.432842 0.113E-02 0.008965 0.180E-04 14745.8565
|
||
|
654 -263.586091 0.137E-03 0.432881 0.113E-02 0.008966 0.180E-04 14747.5968
|
||
|
656 -263.586083 0.137E-03 0.432818 0.113E-02 0.008965 0.180E-04 14758.3977
|
||
|
657 -263.586090 0.137E-03 0.432864 0.113E-02 0.008966 0.180E-04 14769.2586
|
||
|
658 -263.586101 0.134E-03 0.432935 0.111E-02 0.008968 0.175E-04 14773.4098
|
||
|
659 -263.586098 0.134E-03 0.432902 0.110E-02 0.008967 0.175E-04 14776.5918
|
||
|
660 -263.586096 0.134E-03 0.432883 0.110E-02 0.008967 0.174E-04 14780.7218
|
||
|
661 -263.586092 0.134E-03 0.432841 0.110E-02 0.008967 0.174E-04 14792.9917
|
||
|
662 -263.586090 0.133E-03 0.432839 0.110E-02 0.008966 0.174E-04 14798.4701
|
||
|
663 -263.586085 0.133E-03 0.432790 0.110E-02 0.008966 0.174E-04 14804.0878
|
||
|
664 -263.586079 0.133E-03 0.432740 0.110E-02 0.008965 0.174E-04 14818.7019
|
||
|
667 -263.586090 0.133E-03 0.432806 0.110E-02 0.008967 0.174E-04 14820.7851
|
||
|
668 -263.586086 0.133E-03 0.432768 0.109E-02 0.008966 0.173E-04 14824.0407
|
||
|
669 -263.586092 0.133E-03 0.432813 0.109E-02 0.008967 0.173E-04 14835.9401
|
||
|
670 -263.586091 0.133E-03 0.432796 0.109E-02 0.008967 0.173E-04 14838.3292
|
||
|
671 -263.586099 0.133E-03 0.432855 0.109E-02 0.008968 0.173E-04 14840.9095
|
||
|
672 -263.586095 0.132E-03 0.432817 0.109E-02 0.008968 0.173E-04 14849.7394
|
||
|
674 -263.586096 0.132E-03 0.432838 0.109E-02 0.008968 0.173E-04 14853.8504
|
||
|
675 -263.586101 0.132E-03 0.432889 0.109E-02 0.008969 0.172E-04 14856.1331
|
||
|
676 -263.586096 0.132E-03 0.432842 0.109E-02 0.008968 0.172E-04 14864.1048
|
||
|
678 -263.586083 0.132E-03 0.432735 0.109E-02 0.008966 0.172E-04 14870.4470
|
||
|
679 -263.586082 0.132E-03 0.432735 0.109E-02 0.008966 0.172E-04 14881.9440
|
||
|
680 -263.586086 0.132E-03 0.432757 0.108E-02 0.008967 0.172E-04 14885.0493
|
||
|
681 -263.586089 0.131E-03 0.432790 0.108E-02 0.008967 0.172E-04 14894.5315
|
||
|
682 -263.586091 0.131E-03 0.432821 0.108E-02 0.008967 0.171E-04 14911.5949
|
||
|
683 -263.586091 0.131E-03 0.432830 0.108E-02 0.008967 0.171E-04 14913.0014
|
||
|
684 -263.586091 0.131E-03 0.432841 0.108E-02 0.008967 0.171E-04 14927.0997
|
||
|
685 -263.586092 0.131E-03 0.432857 0.108E-02 0.008967 0.171E-04 14932.0200
|
||
|
686 -263.586090 0.130E-03 0.432845 0.108E-02 0.008966 0.170E-04 14941.5148
|
||
|
688 -263.586084 0.130E-03 0.432784 0.107E-02 0.008966 0.170E-04 14942.6051
|
||
|
689 -263.586086 0.130E-03 0.432786 0.107E-02 0.008966 0.170E-04 14945.8486
|
||
|
690 -263.586087 0.130E-03 0.432797 0.107E-02 0.008967 0.169E-04 14950.4732
|
||
|
691 -263.586087 0.130E-03 0.432812 0.107E-02 0.008966 0.169E-04 14955.5456
|
||
|
693 -263.586093 0.129E-03 0.432852 0.107E-02 0.008967 0.169E-04 14960.2946
|
||
|
694 -263.586089 0.129E-03 0.432817 0.107E-02 0.008967 0.169E-04 14964.9424
|
||
|
695 -263.586091 0.129E-03 0.432842 0.106E-02 0.008967 0.168E-04 14970.9451
|
||
|
696 -263.586087 0.129E-03 0.432806 0.106E-02 0.008966 0.168E-04 14974.2113
|
||
|
697 -263.586091 0.129E-03 0.432837 0.106E-02 0.008967 0.168E-04 14975.3102
|
||
|
698 -263.586091 0.129E-03 0.432844 0.106E-02 0.008967 0.168E-04 14986.7297
|
||
|
700 -263.586083 0.128E-03 0.432781 0.106E-02 0.008966 0.168E-04 14991.1541
|
||
|
701 -263.586076 0.128E-03 0.432737 0.106E-02 0.008965 0.168E-04 14994.5392
|
||
|
702 -263.586067 0.128E-03 0.432661 0.106E-02 0.008964 0.168E-04 15001.7214
|
||
|
705 -263.586071 0.128E-03 0.432711 0.106E-02 0.008964 0.168E-04 15004.4058
|
||
|
706 -263.586080 0.128E-03 0.432785 0.106E-02 0.008965 0.168E-04 15007.5986
|
||
|
707 -263.586076 0.128E-03 0.432750 0.106E-02 0.008965 0.167E-04 15016.7132
|
||
|
708 -263.586077 0.128E-03 0.432778 0.106E-02 0.008965 0.167E-04 15018.5815
|
||
|
709 -263.586084 0.128E-03 0.432823 0.106E-02 0.008965 0.167E-04 15032.3787
|
||
|
710 -263.586084 0.128E-03 0.432836 0.106E-02 0.008965 0.167E-04 15040.7905
|
||
|
711 -263.586084 0.128E-03 0.432833 0.106E-02 0.008965 0.167E-04 15047.5515
|
||
|
713 -263.586075 0.128E-03 0.432758 0.105E-02 0.008964 0.167E-04 15063.5210
|
||
|
716 -263.586080 0.126E-03 0.432787 0.104E-02 0.008965 0.163E-04 15065.1348
|
||
|
717 -263.586088 0.126E-03 0.432843 0.104E-02 0.008966 0.164E-04 15069.2082
|
||
|
718 -263.586095 0.126E-03 0.432904 0.104E-02 0.008967 0.163E-04 15081.4659
|
||
|
719 -263.586093 0.126E-03 0.432891 0.104E-02 0.008967 0.163E-04 15093.2004
|
||
|
720 -263.586092 0.125E-03 0.432891 0.104E-02 0.008966 0.163E-04 15098.7859
|
||
|
722 -263.586082 0.125E-03 0.432802 0.104E-02 0.008965 0.163E-04 15108.0388
|
||
|
724 -263.586079 0.125E-03 0.432780 0.104E-02 0.008965 0.163E-04 15109.3736
|
||
|
725 -263.586072 0.125E-03 0.432726 0.104E-02 0.008964 0.163E-04 15112.7563
|
||
|
726 -263.586075 0.125E-03 0.432751 0.104E-02 0.008964 0.162E-04 15123.6167
|
||
|
730 -263.586067 0.125E-03 0.432693 0.103E-02 0.008963 0.162E-04 15127.3373
|
||
|
731 -263.586070 0.125E-03 0.432710 0.103E-02 0.008963 0.162E-04 15130.7122
|
||
|
732 -263.586069 0.125E-03 0.432695 0.103E-02 0.008963 0.162E-04 15131.8309
|
||
|
733 -263.586061 0.125E-03 0.432639 0.103E-02 0.008962 0.162E-04 15139.2076
|
||
|
734 -263.586060 0.124E-03 0.432625 0.103E-02 0.008962 0.162E-04 15143.8095
|
||
|
735 -263.586064 0.124E-03 0.432659 0.103E-02 0.008963 0.162E-04 15153.5218
|
||
|
737 -263.586060 0.124E-03 0.432630 0.103E-02 0.008962 0.161E-04 15156.9754
|
||
|
738 -263.586057 0.124E-03 0.432607 0.103E-02 0.008962 0.161E-04 15161.0789
|
||
|
739 -263.586063 0.124E-03 0.432650 0.103E-02 0.008962 0.161E-04 15170.4295
|
||
|
741 -263.586057 0.124E-03 0.432610 0.102E-02 0.008962 0.161E-04 15179.4658
|
||
|
742 -263.586053 0.123E-03 0.432574 0.102E-02 0.008961 0.160E-04 15184.8288
|
||
|
743 -263.586050 0.123E-03 0.432537 0.102E-02 0.008961 0.160E-04 15188.5736
|
||
|
744 -263.586051 0.123E-03 0.432544 0.102E-02 0.008961 0.160E-04 15193.9063
|
||
|
745 -263.586055 0.123E-03 0.432583 0.102E-02 0.008962 0.160E-04 15200.4692
|
||
|
746 -263.586061 0.123E-03 0.432638 0.102E-02 0.008962 0.160E-04 15209.7975
|
||
|
747 -263.586060 0.123E-03 0.432630 0.102E-02 0.008962 0.160E-04 15222.3040
|
||
|
748 -263.586062 0.123E-03 0.432629 0.102E-02 0.008963 0.160E-04 15232.9401
|
||
|
752 -263.586081 0.123E-03 0.432789 0.102E-02 0.008965 0.159E-04 15235.7860
|
||
|
753 -263.586076 0.123E-03 0.432754 0.102E-02 0.008964 0.159E-04 15237.6642
|
||
|
754 -263.586087 0.123E-03 0.432852 0.102E-02 0.008966 0.160E-04 15239.6690
|
||
|
755 -263.586086 0.123E-03 0.432837 0.102E-02 0.008965 0.159E-04 15242.3571
|
||
|
756 -263.586080 0.123E-03 0.432786 0.102E-02 0.008965 0.159E-04 15247.7334
|
||
|
757 -263.586080 0.123E-03 0.432776 0.102E-02 0.008965 0.159E-04 15249.1197
|
||
|
758 -263.586078 0.122E-03 0.432769 0.101E-02 0.008965 0.159E-04 15253.0276
|
||
|
759 -263.586075 0.122E-03 0.432745 0.101E-02 0.008964 0.159E-04 15257.9893
|
||
|
760 -263.586078 0.122E-03 0.432770 0.101E-02 0.008965 0.159E-04 15265.9181
|
||
|
761 -263.586077 0.122E-03 0.432756 0.101E-02 0.008965 0.158E-04 15271.1892
|
||
|
762 -263.586078 0.122E-03 0.432774 0.101E-02 0.008965 0.158E-04 15283.1373
|
||
|
764 -263.586085 0.122E-03 0.432816 0.101E-02 0.008966 0.158E-04 15284.6220
|
||
|
766 -263.586072 0.121E-03 0.432715 0.101E-02 0.008964 0.156E-04 15292.1724
|
||
|
767 -263.586067 0.121E-03 0.432671 0.101E-02 0.008963 0.156E-04 15296.7677
|
||
|
768 -263.586072 0.121E-03 0.432704 0.100E-02 0.008964 0.156E-04 15301.1569
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
8.963840528014529E-003
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.550194 GB ] [ VIRT MEM : 15.416149 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 35242.434870 s ] [ CPU TIME: 2542861.922734 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 2621438
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.551056 GB ] [ VIRT MEM : 15.417126 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 35242.498527 s ] [ CPU TIME: 2542861.985707 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 2621438
|
||
|
* pt2_n_tasks_max 263
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.9310108107871137
|
||
|
|
||
|
Summary at N_det = 2621440
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.52538208
|
||
|
# PT2 -0.06068944 0.00012076
|
||
|
# rPT2 -0.06015026 0.00011969
|
||
|
#
|
||
|
# E+PT2 -263.58607152 0.00012076
|
||
|
# E+rPT2 -263.58553235 0.00011969
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 2621440
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 4.160088177390150E-003
|
||
|
E = -263.525382082295
|
||
|
Variance = 0.432704427376858 +/- 1.004563020718108E-003
|
||
|
PT norm = 9.467756084740739E-002 +/- 8.243834676330771E-005
|
||
|
PT2 = -6.068944037532405E-002 +/- 1.207609895460738E-004
|
||
|
rPT2 = -6.015026300998442E-002 +/- 1.196881242868691E-004
|
||
|
E+PT2 = -263.586071522670 +/- 1.207609895460738E-004
|
||
|
E+rPT2 = -263.585532345305 +/- 1.196881242868691E-004
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.60722245811
|
||
|
Vee = 296.512316727335
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.317983428042
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.0691 -263.61060732
|
||
|
-0.0788 -263.61110920
|
||
|
-0.0896 -263.61060819
|
||
|
-0.1016 -263.61072246
|
||
|
-0.1155 -263.61054194
|
||
|
-0.1329 -263.60957702
|
||
|
-0.1541 -263.60905574
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 376970
|
||
|
* Number of unique beta determinants 376758
|
||
|
|
||
|
.. >>>>> [ RES MEM : 6.447536 GB ] [ VIRT MEM : 16.415279 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 38055.981021 s ] [ CPU TIME: 2546421.150454 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 5242880
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 9.322584223002195
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.5253820823 0.004160 0.185E-02
|
||
|
1 -263.5367086811 0.003755 0.145E-03
|
||
|
2 -263.5369260468 0.003781 0.102E-04
|
||
|
3 -263.5369540856 0.003792 0.160E-05
|
||
|
4 -263.5369595580 0.003788 0.327E-06
|
||
|
5 -263.5369607819 0.003777 0.639E-07
|
||
|
6 -263.5369610314 0.003771 0.158E-07
|
||
|
7 -263.5369610881 0.003770 0.353E-08
|
||
|
8 -263.5369611010 0.003769 0.794E-09
|
||
|
9 -263.5369611037 0.003768 0.157E-09
|
||
|
10 -263.5369611042 0.003768 0.303E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 11.415390 GB ] [ VIRT MEM : 22.239365 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 72099.599107 s ] [ CPU TIME: 2585014.659947 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.946751 GB ] [ VIRT MEM : 15.831146 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 72100.119125 s ] [ CPU TIME: 2585030.267963 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.5369611042183
|
||
|
* S^2 of state 1 0.3768300236424323E-02
|
||
|
* Saved determinants 5242880
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 5.931023 GB ] [ VIRT MEM : 15.831146 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 72132.954221 s ] [ CPU TIME: 2585294.416630 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 5242876
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 6.117203 GB ] [ VIRT MEM : 16.108219 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 72135.533025 s ] [ CPU TIME: 2585413.726248 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 5242876
|
||
|
* pt2_n_tasks_max 525
|
||
|
* PT2 Energy denominator -263.5369611042183
|
||
|
|
||
|
.. >>>>> [ RES MEM : 6.722824 GB ] [ VIRT MEM : 16.693668 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 72138.064194 s ] [ CPU TIME: 2585636.764726 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 5242876
|
||
|
* Number of comb teeth 100
|
||
|
|
||
|
.. >>>>> [ RES MEM : 6.722824 GB ] [ VIRT MEM : 16.693668 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 72138.142863 s ] [ CPU TIME: 2585636.843238 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 5242876
|
||
|
* pt2_n_tasks_max 525
|
||
|
* Number of tasks 5695376
|
||
|
* Number of fragmented tasks 11296
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 58.56300031587482
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.588361 0.425E-02 0.373279 0.321E-01 0.007438 0.568E-03 5581.5047
|
||
|
4 -263.587854 0.290E-02 0.369347 0.219E-01 0.007367 0.389E-03 6556.7184
|
||
|
5 -263.587884 0.220E-02 0.370780 0.167E-01 0.007356 0.294E-03 7391.3110
|
||
|
6 -263.587674 0.178E-02 0.368296 0.136E-01 0.007346 0.238E-03 8319.1793
|
||
|
7 -263.587116 0.160E-02 0.363383 0.125E-01 0.007275 0.213E-03 8975.7862
|
||
|
8 -263.588476 0.197E-02 0.375425 0.165E-01 0.007428 0.242E-03 9900.4669
|
||
|
9 -263.588529 0.174E-02 0.376160 0.145E-01 0.007431 0.213E-03 10640.8541
|
||
|
10 -263.588491 0.155E-02 0.376213 0.130E-01 0.007422 0.189E-03 10908.2787
|
||
|
11 -263.589059 0.152E-02 0.380851 0.127E-01 0.007492 0.186E-03 11035.0664
|
||
|
12 -263.588661 0.144E-02 0.377768 0.120E-01 0.007440 0.177E-03 11401.5855
|
||
|
13 -263.588527 0.133E-02 0.378385 0.110E-01 0.007402 0.167E-03 11536.4177
|
||
|
14 -263.588298 0.125E-02 0.375724 0.105E-01 0.007386 0.156E-03 12042.4334
|
||
|
15 -263.588695 0.123E-02 0.379042 0.103E-01 0.007433 0.153E-03 12442.0642
|
||
|
16 -263.588418 0.118E-02 0.377128 0.980E-02 0.007393 0.148E-03 12494.8694
|
||
|
17 -263.588433 0.111E-02 0.377052 0.919E-02 0.007401 0.139E-03 12602.7558
|
||
|
18 -263.588274 0.105E-02 0.376070 0.870E-02 0.007375 0.134E-03 12791.5440
|
||
|
19 -263.588683 0.108E-02 0.379539 0.894E-02 0.007424 0.136E-03 13369.3611
|
||
|
20 -263.588903 0.104E-02 0.382392 0.891E-02 0.007437 0.129E-03 13909.3264
|
||
|
21 -263.588606 0.104E-02 0.379667 0.890E-02 0.007404 0.127E-03 13993.1382
|
||
|
22 -263.588766 0.100E-02 0.380875 0.857E-02 0.007423 0.123E-03 14130.0903
|
||
|
23 -263.588683 0.958E-03 0.380270 0.820E-02 0.007410 0.117E-03 14238.3969
|
||
|
24 -263.588707 0.917E-03 0.380597 0.785E-02 0.007409 0.112E-03 14372.7259
|
||
|
25 -263.588823 0.887E-03 0.381340 0.757E-02 0.007426 0.109E-03 14478.7860
|
||
|
26 -263.588841 0.851E-03 0.381528 0.727E-02 0.007428 0.105E-03 14569.0322
|
||
|
27 -263.588779 0.821E-03 0.380660 0.704E-02 0.007427 0.101E-03 15099.0960
|
||
|
28 -263.588926 0.808E-03 0.382126 0.698E-02 0.007442 0.983E-04 15460.8463
|
||
|
29 -263.588746 0.800E-03 0.380544 0.692E-02 0.007421 0.972E-04 15761.2494
|
||
|
30 -263.588782 0.775E-03 0.380964 0.671E-02 0.007424 0.937E-04 16128.1680
|
||
|
31 -263.588712 0.748E-03 0.380626 0.645E-02 0.007410 0.913E-04 16243.0703
|
||
|
32 -263.588845 0.737E-03 0.381537 0.629E-02 0.007429 0.914E-04 16583.0102
|
||
|
33 -263.588917 0.717E-03 0.382149 0.612E-02 0.007438 0.890E-04 16777.3673
|
||
|
34 -263.589060 0.710E-03 0.383501 0.609E-02 0.007452 0.875E-04 17149.2028
|
||
|
35 -263.589067 0.689E-03 0.383498 0.591E-02 0.007454 0.850E-04 17267.5274
|
||
|
36 -263.589141 0.674E-03 0.384064 0.576E-02 0.007464 0.834E-04 17381.6185
|
||
|
37 -263.588965 0.679E-03 0.382344 0.586E-02 0.007447 0.830E-04 17484.6582
|
||
|
38 -263.588979 0.661E-03 0.382694 0.571E-02 0.007445 0.810E-04 17566.2782
|
||
|
39 -263.589184 0.676E-03 0.384186 0.576E-02 0.007474 0.839E-04 17746.7669
|
||
|
40 -263.589119 0.662E-03 0.383419 0.566E-02 0.007469 0.819E-04 17886.3167
|
||
|
41 -263.588949 0.668E-03 0.381920 0.572E-02 0.007449 0.822E-04 18176.1778
|
||
|
42 -263.588886 0.655E-03 0.381521 0.560E-02 0.007439 0.809E-04 18327.3924
|
||
|
43 -263.588733 0.656E-03 0.380013 0.567E-02 0.007424 0.801E-04 18609.7650
|
||
|
44 -263.588578 0.660E-03 0.378857 0.566E-02 0.007403 0.812E-04 18691.4943
|
||
|
45 -263.588435 0.661E-03 0.377607 0.567E-02 0.007386 0.811E-04 18799.4691
|
||
|
46 -263.588477 0.646E-03 0.377983 0.555E-02 0.007390 0.792E-04 18862.0401
|
||
|
47 -263.588608 0.646E-03 0.379141 0.555E-02 0.007406 0.791E-04 19095.9842
|
||
|
48 -263.588577 0.633E-03 0.378899 0.544E-02 0.007402 0.776E-04 19195.8848
|
||
|
49 -263.588610 0.620E-03 0.379268 0.534E-02 0.007404 0.758E-04 19367.4043
|
||
|
50 -263.588607 0.607E-03 0.379225 0.523E-02 0.007404 0.742E-04 19507.5815
|
||
|
51 -263.588603 0.594E-03 0.379217 0.513E-02 0.007403 0.725E-04 19632.9718
|
||
|
52 -263.588483 0.595E-03 0.378135 0.515E-02 0.007389 0.725E-04 19746.3118
|
||
|
53 -263.588534 0.586E-03 0.378569 0.507E-02 0.007395 0.712E-04 19829.3046
|
||
|
54 -263.588548 0.575E-03 0.378627 0.498E-02 0.007397 0.699E-04 19914.3927
|
||
|
55 -263.588698 0.584E-03 0.379860 0.504E-02 0.007416 0.711E-04 19988.9604
|
||
|
56 -263.588603 0.581E-03 0.379040 0.501E-02 0.007405 0.708E-04 20016.7905
|
||
|
57 -263.588588 0.574E-03 0.378809 0.494E-02 0.007405 0.697E-04 20029.4064
|
||
|
58 -263.588666 0.569E-03 0.379652 0.493E-02 0.007412 0.689E-04 20119.2957
|
||
|
59 -263.588577 0.566E-03 0.378876 0.491E-02 0.007401 0.686E-04 20131.7650
|
||
|
60 -263.588523 0.558E-03 0.378432 0.484E-02 0.007394 0.676E-04 20182.5525
|
||
|
61 -263.588422 0.558E-03 0.377658 0.483E-02 0.007380 0.679E-04 20241.2297
|
||
|
62 -263.588627 0.586E-03 0.379142 0.498E-02 0.007410 0.729E-04 20291.4029
|
||
|
63 -263.588799 0.602E-03 0.380570 0.510E-02 0.007430 0.746E-04 20392.1293
|
||
|
64 -263.588808 0.593E-03 0.380482 0.501E-02 0.007435 0.737E-04 20414.3445
|
||
|
65 -263.588775 0.585E-03 0.380126 0.494E-02 0.007432 0.726E-04 20450.0018
|
||
|
67 -263.588799 0.569E-03 0.380149 0.481E-02 0.007437 0.707E-04 20496.4673
|
||
|
68 -263.588812 0.560E-03 0.380174 0.473E-02 0.007440 0.695E-04 20571.4059
|
||
|
69 -263.588739 0.556E-03 0.379452 0.472E-02 0.007433 0.688E-04 20652.7552
|
||
|
70 -263.588728 0.548E-03 0.379288 0.465E-02 0.007432 0.678E-04 20671.8000
|
||
|
71 -263.588682 0.542E-03 0.378824 0.461E-02 0.007428 0.670E-04 20771.3806
|
||
|
72 -263.588644 0.536E-03 0.378572 0.455E-02 0.007422 0.664E-04 20783.7162
|
||
|
73 -263.588701 0.532E-03 0.379076 0.452E-02 0.007428 0.658E-04 20822.7143
|
||
|
74 -263.588751 0.531E-03 0.379601 0.452E-02 0.007432 0.655E-04 20930.0952
|
||
|
75 -263.588789 0.526E-03 0.380008 0.448E-02 0.007436 0.647E-04 20960.2396
|
||
|
76 -263.588774 0.519E-03 0.379867 0.442E-02 0.007434 0.639E-04 21025.6024
|
||
|
77 -263.588773 0.512E-03 0.379830 0.437E-02 0.007434 0.630E-04 21111.3714
|
||
|
78 -263.588728 0.507E-03 0.379395 0.433E-02 0.007430 0.624E-04 21194.0231
|
||
|
79 -263.588757 0.502E-03 0.379550 0.428E-02 0.007435 0.618E-04 21208.0752
|
||
|
80 -263.588742 0.496E-03 0.379344 0.423E-02 0.007434 0.610E-04 21307.2561
|
||
|
81 -263.588772 0.490E-03 0.379618 0.419E-02 0.007438 0.604E-04 21339.3338
|
||
|
82 -263.588775 0.484E-03 0.379757 0.414E-02 0.007437 0.596E-04 21415.5980
|
||
|
83 -263.588822 0.478E-03 0.380099 0.408E-02 0.007443 0.590E-04 21429.8022
|
||
|
84 -263.588802 0.473E-03 0.379903 0.404E-02 0.007441 0.583E-04 21510.9677
|
||
|
85 -263.588738 0.471E-03 0.379343 0.403E-02 0.007433 0.581E-04 21570.9102
|
||
|
86 -263.588769 0.467E-03 0.379535 0.398E-02 0.007438 0.577E-04 21658.5255
|
||
|
87 -263.588769 0.462E-03 0.379493 0.394E-02 0.007440 0.570E-04 21738.8874
|
||
|
88 -263.588772 0.456E-03 0.379513 0.389E-02 0.007440 0.564E-04 21744.3226
|
||
|
89 -263.588783 0.451E-03 0.379536 0.385E-02 0.007442 0.557E-04 21800.5762
|
||
|
90 -263.588816 0.447E-03 0.379877 0.382E-02 0.007445 0.552E-04 21812.5276
|
||
|
91 -263.588837 0.443E-03 0.379938 0.378E-02 0.007450 0.548E-04 21914.6171
|
||
|
92 -263.588799 0.439E-03 0.379581 0.376E-02 0.007446 0.543E-04 21971.2781
|
||
|
93 -263.588782 0.435E-03 0.379432 0.372E-02 0.007444 0.538E-04 22043.7646
|
||
|
94 -263.588776 0.430E-03 0.379350 0.368E-02 0.007443 0.532E-04 22058.2567
|
||
|
95 -263.588778 0.426E-03 0.379403 0.364E-02 0.007443 0.526E-04 22095.8624
|
||
|
96 -263.588777 0.422E-03 0.379404 0.361E-02 0.007443 0.523E-04 22152.3356
|
||
|
97 -263.588853 0.425E-03 0.379990 0.362E-02 0.007453 0.528E-04 22241.0591
|
||
|
98 -263.588907 0.424E-03 0.380408 0.360E-02 0.007460 0.527E-04 22264.0558
|
||
|
99 -263.588945 0.421E-03 0.380792 0.359E-02 0.007464 0.524E-04 22266.0647
|
||
|
100 -263.588952 0.417E-03 0.380829 0.355E-02 0.007466 0.518E-04 22321.9609
|
||
|
101 -263.588969 0.413E-03 0.380965 0.352E-02 0.007467 0.514E-04 22353.0947
|
||
|
102 -263.588898 0.415E-03 0.380369 0.353E-02 0.007459 0.516E-04 22356.3253
|
||
|
103 -263.588847 0.414E-03 0.379949 0.353E-02 0.007452 0.515E-04 22456.3364
|
||
|
104 -263.588899 0.413E-03 0.380289 0.350E-02 0.007460 0.514E-04 22546.3437
|
||
|
105 -263.588954 0.412E-03 0.380800 0.351E-02 0.007466 0.513E-04 22632.7421
|
||
|
107 -263.589081 0.415E-03 0.381846 0.352E-02 0.007482 0.516E-04 22670.1246
|
||
|
108 -263.589077 0.411E-03 0.381766 0.349E-02 0.007482 0.511E-04 22684.2645
|
||
|
109 -263.589125 0.408E-03 0.382179 0.346E-02 0.007488 0.509E-04 22719.3109
|
||
|
110 -263.589152 0.405E-03 0.382399 0.343E-02 0.007492 0.506E-04 22772.5361
|
||
|
111 -263.589113 0.403E-03 0.382026 0.342E-02 0.007487 0.503E-04 22848.0951
|
||
|
112 -263.589112 0.399E-03 0.381994 0.339E-02 0.007488 0.498E-04 22875.3029
|
||
|
113 -263.589122 0.396E-03 0.382201 0.337E-02 0.007487 0.494E-04 22953.2653
|
||
|
114 -263.589122 0.393E-03 0.382116 0.334E-02 0.007488 0.490E-04 23026.9396
|
||
|
115 -263.589134 0.389E-03 0.382193 0.331E-02 0.007490 0.486E-04 23086.0860
|
||
|
116 -263.589147 0.386E-03 0.382352 0.328E-02 0.007491 0.482E-04 23093.5614
|
||
|
117 -263.589228 0.391E-03 0.383023 0.332E-02 0.007501 0.489E-04 23105.7158
|
||
|
118 -263.589243 0.388E-03 0.383069 0.330E-02 0.007504 0.486E-04 23158.2606
|
||
|
119 -263.589240 0.385E-03 0.383033 0.327E-02 0.007504 0.482E-04 23170.7338
|
||
|
120 -263.589232 0.382E-03 0.382850 0.325E-02 0.007505 0.478E-04 23265.5069
|
||
|
121 -263.589271 0.381E-03 0.383090 0.323E-02 0.007512 0.479E-04 23272.9692
|
||
|
122 -263.589354 0.387E-03 0.383768 0.327E-02 0.007522 0.487E-04 23328.5494
|
||
|
123 -263.589364 0.384E-03 0.383767 0.325E-02 0.007525 0.484E-04 23422.7334
|
||
|
124 -263.589384 0.381E-03 0.383931 0.322E-02 0.007528 0.480E-04 23520.6506
|
||
|
125 -263.589343 0.381E-03 0.383579 0.322E-02 0.007523 0.479E-04 23605.6920
|
||
|
126 -263.589354 0.378E-03 0.383660 0.319E-02 0.007524 0.475E-04 23687.5332
|
||
|
127 -263.589351 0.376E-03 0.383662 0.317E-02 0.007523 0.474E-04 23704.6913
|
||
|
128 -263.589345 0.373E-03 0.383629 0.314E-02 0.007523 0.470E-04 23781.2812
|
||
|
129 -263.589298 0.373E-03 0.383235 0.315E-02 0.007517 0.470E-04 23806.5015
|
||
|
131 -263.589432 0.380E-03 0.384338 0.320E-02 0.007534 0.478E-04 23890.5187
|
||
|
132 -263.589499 0.383E-03 0.384800 0.321E-02 0.007543 0.484E-04 23899.7169
|
||
|
133 -263.589475 0.381E-03 0.384522 0.319E-02 0.007541 0.481E-04 23910.3716
|
||
|
134 -263.589473 0.376E-03 0.384505 0.315E-02 0.007540 0.476E-04 23964.6845
|
||
|
135 -263.589512 0.375E-03 0.384804 0.314E-02 0.007545 0.476E-04 23999.8904
|
||
|
136 -263.589527 0.373E-03 0.384932 0.312E-02 0.007547 0.472E-04 24059.1022
|
||
|
137 -263.589517 0.370E-03 0.384840 0.309E-02 0.007546 0.469E-04 24145.3228
|
||
|
138 -263.589516 0.367E-03 0.384888 0.307E-02 0.007546 0.466E-04 24223.2225
|
||
|
139 -263.589500 0.365E-03 0.384763 0.305E-02 0.007543 0.463E-04 24238.2656
|
||
|
140 -263.589492 0.362E-03 0.384688 0.303E-02 0.007543 0.460E-04 24248.9383
|
||
|
141 -263.589467 0.361E-03 0.384479 0.302E-02 0.007539 0.457E-04 24301.9784
|
||
|
142 -263.589500 0.360E-03 0.384787 0.301E-02 0.007543 0.456E-04 24360.6068
|
||
|
143 -263.589499 0.357E-03 0.384734 0.299E-02 0.007544 0.453E-04 24442.4690
|
||
|
144 -263.589477 0.355E-03 0.384610 0.297E-02 0.007540 0.450E-04 24487.3375
|
||
|
145 -263.589552 0.360E-03 0.385293 0.303E-02 0.007548 0.455E-04 24500.6119
|
||
|
146 -263.589555 0.358E-03 0.385280 0.301E-02 0.007549 0.452E-04 24552.6668
|
||
|
147 -263.589524 0.357E-03 0.385071 0.299E-02 0.007544 0.451E-04 24634.9997
|
||
|
148 -263.589540 0.355E-03 0.385266 0.298E-02 0.007546 0.448E-04 24674.7516
|
||
|
149 -263.589515 0.353E-03 0.385050 0.297E-02 0.007543 0.446E-04 24743.5277
|
||
|
150 -263.589499 0.351E-03 0.384953 0.295E-02 0.007540 0.444E-04 24752.5318
|
||
|
151 -263.589490 0.349E-03 0.384948 0.293E-02 0.007538 0.442E-04 24826.0327
|
||
|
152 -263.589464 0.348E-03 0.384758 0.292E-02 0.007534 0.440E-04 24902.7419
|
||
|
153 -263.589446 0.349E-03 0.384612 0.293E-02 0.007532 0.441E-04 24968.1930
|
||
|
154 -263.589535 0.358E-03 0.385304 0.299E-02 0.007544 0.455E-04 25043.2672
|
||
|
155 -263.589503 0.357E-03 0.385052 0.298E-02 0.007540 0.454E-04 25116.4865
|
||
|
156 -263.589568 0.361E-03 0.385663 0.302E-02 0.007547 0.456E-04 25167.3180
|
||
|
157 -263.589562 0.358E-03 0.385613 0.300E-02 0.007546 0.454E-04 25201.9332
|
||
|
158 -263.589558 0.356E-03 0.385634 0.299E-02 0.007545 0.451E-04 25248.4580
|
||
|
159 -263.589587 0.355E-03 0.385872 0.298E-02 0.007548 0.449E-04 25301.0501
|
||
|
160 -263.589570 0.353E-03 0.385738 0.296E-02 0.007546 0.447E-04 25354.0665
|
||
|
161 -263.589541 0.352E-03 0.385482 0.295E-02 0.007543 0.446E-04 25374.5451
|
||
|
162 -263.589526 0.350E-03 0.385388 0.293E-02 0.007540 0.442E-04 25406.0041
|
||
|
163 -263.589510 0.348E-03 0.385228 0.292E-02 0.007539 0.440E-04 25484.2003
|
||
|
164 -263.589499 0.346E-03 0.385138 0.290E-02 0.007537 0.437E-04 25491.2009
|
||
|
165 -263.589476 0.345E-03 0.384915 0.289E-02 0.007535 0.435E-04 25560.1136
|
||
|
166 -263.589474 0.343E-03 0.384885 0.288E-02 0.007534 0.433E-04 25564.5681
|
||
|
167 -263.589441 0.342E-03 0.384627 0.287E-02 0.007530 0.432E-04 25611.2622
|
||
|
168 -263.589433 0.340E-03 0.384630 0.285E-02 0.007528 0.430E-04 25655.0821
|
||
|
169 -263.589398 0.340E-03 0.384374 0.285E-02 0.007523 0.431E-04 25718.3776
|
||
|
170 -263.589396 0.338E-03 0.384351 0.283E-02 0.007523 0.428E-04 25797.1968
|
||
|
171 -263.589409 0.336E-03 0.384470 0.282E-02 0.007525 0.426E-04 25860.4638
|
||
|
172 -263.589412 0.334E-03 0.384551 0.280E-02 0.007524 0.423E-04 25938.3242
|
||
|
173 -263.589411 0.332E-03 0.384533 0.278E-02 0.007524 0.421E-04 25946.6373
|
||
|
174 -263.589429 0.330E-03 0.384620 0.276E-02 0.007527 0.420E-04 26016.0139
|
||
|
175 -263.589404 0.329E-03 0.384408 0.275E-02 0.007524 0.418E-04 26072.7075
|
||
|
176 -263.589444 0.330E-03 0.384680 0.275E-02 0.007530 0.420E-04 26117.9295
|
||
|
177 -263.589439 0.328E-03 0.384644 0.274E-02 0.007530 0.418E-04 26171.0880
|
||
|
178 -263.589403 0.328E-03 0.384343 0.274E-02 0.007525 0.418E-04 26173.7911
|
||
|
179 -263.589358 0.330E-03 0.383959 0.275E-02 0.007519 0.420E-04 26196.4971
|
||
|
180 -263.589339 0.328E-03 0.383786 0.274E-02 0.007517 0.418E-04 26220.3894
|
||
|
181 -263.589313 0.326E-03 0.383542 0.273E-02 0.007515 0.415E-04 26302.4611
|
||
|
182 -263.589345 0.326E-03 0.383846 0.273E-02 0.007518 0.414E-04 26367.1827
|
||
|
183 -263.589336 0.324E-03 0.383799 0.271E-02 0.007516 0.412E-04 26379.1545
|
||
|
184 -263.589316 0.323E-03 0.383657 0.270E-02 0.007513 0.411E-04 26380.6135
|
||
|
185 -263.589343 0.323E-03 0.383862 0.270E-02 0.007517 0.410E-04 26406.8552
|
||
|
186 -263.589400 0.326E-03 0.384380 0.273E-02 0.007524 0.413E-04 26440.9824
|
||
|
187 -263.589377 0.325E-03 0.384157 0.273E-02 0.007521 0.411E-04 26458.9829
|
||
|
188 -263.589377 0.323E-03 0.384161 0.271E-02 0.007521 0.409E-04 26499.9849
|
||
|
189 -263.589354 0.322E-03 0.383999 0.270E-02 0.007518 0.408E-04 26540.1322
|
||
|
190 -263.589313 0.323E-03 0.383660 0.271E-02 0.007513 0.410E-04 26599.5212
|
||
|
191 -263.589366 0.326E-03 0.384107 0.273E-02 0.007520 0.413E-04 26659.4007
|
||
|
192 -263.589378 0.322E-03 0.384161 0.270E-02 0.007522 0.408E-04 26697.8094
|
||
|
193 -263.589400 0.321E-03 0.384397 0.270E-02 0.007524 0.406E-04 26742.7116
|
||
|
194 -263.589390 0.320E-03 0.384280 0.269E-02 0.007523 0.404E-04 26816.5924
|
||
|
195 -263.589391 0.318E-03 0.384301 0.267E-02 0.007523 0.402E-04 26848.0404
|
||
|
196 -263.589389 0.316E-03 0.384355 0.266E-02 0.007522 0.400E-04 26868.9462
|
||
|
197 -263.589365 0.316E-03 0.384133 0.266E-02 0.007519 0.399E-04 26912.9782
|
||
|
198 -263.589352 0.314E-03 0.384060 0.264E-02 0.007517 0.398E-04 26965.6940
|
||
|
199 -263.589452 0.328E-03 0.384837 0.274E-02 0.007530 0.417E-04 26974.7160
|
||
|
200 -263.589463 0.327E-03 0.384953 0.273E-02 0.007531 0.415E-04 26979.4728
|
||
|
201 -263.589464 0.325E-03 0.384938 0.272E-02 0.007532 0.413E-04 27031.9204
|
||
|
202 -263.589449 0.324E-03 0.384804 0.271E-02 0.007530 0.412E-04 27044.9501
|
||
|
203 -263.589437 0.320E-03 0.384757 0.268E-02 0.007528 0.407E-04 27103.2722
|
||
|
204 -263.589444 0.318E-03 0.384832 0.267E-02 0.007528 0.405E-04 27117.0417
|
||
|
205 -263.589424 0.318E-03 0.384637 0.266E-02 0.007526 0.403E-04 27143.1583
|
||
|
206 -263.589437 0.316E-03 0.384733 0.265E-02 0.007528 0.402E-04 27156.8645
|
||
|
207 -263.589428 0.315E-03 0.384628 0.264E-02 0.007527 0.400E-04 27225.2568
|
||
|
208 -263.589434 0.313E-03 0.384676 0.263E-02 0.007528 0.398E-04 27246.1862
|
||
|
209 -263.589476 0.315E-03 0.385052 0.264E-02 0.007533 0.399E-04 27259.6675
|
||
|
210 -263.589501 0.314E-03 0.385208 0.263E-02 0.007537 0.399E-04 27279.9170
|
||
|
211 -263.589515 0.313E-03 0.385295 0.262E-02 0.007539 0.397E-04 27283.9959
|
||
|
212 -263.589514 0.312E-03 0.385243 0.261E-02 0.007539 0.396E-04 27305.7878
|
||
|
213 -263.589515 0.310E-03 0.385268 0.260E-02 0.007539 0.394E-04 27340.9696
|
||
|
214 -263.589527 0.309E-03 0.385343 0.259E-02 0.007541 0.392E-04 27381.4040
|
||
|
215 -263.589514 0.308E-03 0.385254 0.258E-02 0.007539 0.391E-04 27451.4289
|
||
|
216 -263.589482 0.308E-03 0.384980 0.258E-02 0.007536 0.391E-04 27501.0165
|
||
|
217 -263.589468 0.307E-03 0.384864 0.257E-02 0.007534 0.390E-04 27529.9422
|
||
|
218 -263.589459 0.305E-03 0.384802 0.255E-02 0.007533 0.386E-04 27602.0289
|
||
|
219 -263.589472 0.303E-03 0.384887 0.254E-02 0.007534 0.385E-04 27606.5694
|
||
|
220 -263.589469 0.302E-03 0.384836 0.253E-02 0.007535 0.383E-04 27637.3405
|
||
|
221 -263.589445 0.302E-03 0.384635 0.253E-02 0.007532 0.382E-04 27706.1175
|
||
|
222 -263.589446 0.300E-03 0.384687 0.252E-02 0.007531 0.381E-04 27714.3223
|
||
|
223 -263.589467 0.300E-03 0.384871 0.251E-02 0.007534 0.380E-04 27731.7632
|
||
|
224 -263.589480 0.299E-03 0.384986 0.251E-02 0.007535 0.378E-04 27786.3258
|
||
|
226 -263.589494 0.296E-03 0.385087 0.248E-02 0.007537 0.375E-04 27840.2590
|
||
|
227 -263.589488 0.295E-03 0.385044 0.247E-02 0.007536 0.374E-04 27889.3324
|
||
|
228 -263.589478 0.292E-03 0.384917 0.245E-02 0.007536 0.370E-04 27952.4392
|
||
|
229 -263.589457 0.291E-03 0.384728 0.244E-02 0.007533 0.370E-04 28012.6486
|
||
|
230 -263.589467 0.290E-03 0.384760 0.243E-02 0.007535 0.369E-04 28045.2907
|
||
|
231 -263.589486 0.290E-03 0.384862 0.243E-02 0.007538 0.368E-04 28101.8628
|
||
|
232 -263.589471 0.289E-03 0.384750 0.242E-02 0.007536 0.367E-04 28155.2407
|
||
|
233 -263.589460 0.288E-03 0.384645 0.241E-02 0.007535 0.366E-04 28163.4251
|
||
|
234 -263.589454 0.287E-03 0.384577 0.240E-02 0.007534 0.364E-04 28201.9018
|
||
|
235 -263.589441 0.286E-03 0.384458 0.239E-02 0.007533 0.363E-04 28224.7303
|
||
|
236 -263.589422 0.285E-03 0.384294 0.239E-02 0.007531 0.362E-04 28250.1615
|
||
|
237 -263.589403 0.284E-03 0.384144 0.238E-02 0.007528 0.362E-04 28269.0538
|
||
|
239 -263.589399 0.282E-03 0.384096 0.236E-02 0.007528 0.359E-04 28299.4242
|
||
|
240 -263.589392 0.281E-03 0.384042 0.235E-02 0.007527 0.357E-04 28306.5881
|
||
|
241 -263.589406 0.280E-03 0.384158 0.235E-02 0.007529 0.356E-04 28345.8914
|
||
|
242 -263.589413 0.280E-03 0.384272 0.235E-02 0.007529 0.355E-04 28373.5699
|
||
|
243 -263.589404 0.279E-03 0.384238 0.234E-02 0.007527 0.354E-04 28384.3502
|
||
|
244 -263.589422 0.278E-03 0.384420 0.234E-02 0.007529 0.353E-04 28449.3338
|
||
|
245 -263.589454 0.279E-03 0.384694 0.234E-02 0.007533 0.354E-04 28475.6463
|
||
|
247 -263.589468 0.277E-03 0.384805 0.233E-02 0.007535 0.352E-04 28524.5267
|
||
|
248 -263.589441 0.277E-03 0.384585 0.233E-02 0.007531 0.352E-04 28576.6237
|
||
|
249 -263.589457 0.277E-03 0.384739 0.232E-02 0.007533 0.351E-04 28579.7941
|
||
|
250 -263.589451 0.276E-03 0.384687 0.231E-02 0.007533 0.350E-04 28606.7276
|
||
|
251 -263.589463 0.275E-03 0.384835 0.231E-02 0.007533 0.348E-04 28673.2392
|
||
|
252 -263.589464 0.274E-03 0.384851 0.230E-02 0.007533 0.347E-04 28679.4662
|
||
|
253 -263.589452 0.273E-03 0.384732 0.229E-02 0.007532 0.346E-04 28713.9061
|
||
|
254 -263.589430 0.272E-03 0.384490 0.229E-02 0.007530 0.346E-04 28742.5217
|
||
|
255 -263.589429 0.271E-03 0.384462 0.228E-02 0.007530 0.344E-04 28778.5530
|
||
|
256 -263.589429 0.270E-03 0.384434 0.227E-02 0.007531 0.343E-04 28800.8639
|
||
|
257 -263.589412 0.269E-03 0.384268 0.226E-02 0.007529 0.342E-04 28852.7865
|
||
|
258 -263.589439 0.270E-03 0.384573 0.228E-02 0.007532 0.342E-04 28911.4810
|
||
|
259 -263.589444 0.269E-03 0.384630 0.227E-02 0.007532 0.340E-04 28959.0501
|
||
|
260 -263.589455 0.268E-03 0.384720 0.226E-02 0.007534 0.339E-04 29000.3149
|
||
|
261 -263.589447 0.267E-03 0.384624 0.225E-02 0.007533 0.338E-04 29011.1454
|
||
|
263 -263.589454 0.265E-03 0.384647 0.224E-02 0.007535 0.336E-04 29069.4857
|
||
|
264 -263.589445 0.264E-03 0.384540 0.223E-02 0.007534 0.335E-04 29127.7697
|
||
|
265 -263.589452 0.263E-03 0.384606 0.222E-02 0.007535 0.333E-04 29139.1957
|
||
|
266 -263.589435 0.263E-03 0.384484 0.222E-02 0.007532 0.333E-04 29190.9829
|
||
|
267 -263.589454 0.262E-03 0.384627 0.221E-02 0.007535 0.333E-04 29240.7736
|
||
|
268 -263.589427 0.263E-03 0.384409 0.222E-02 0.007532 0.333E-04 29249.8057
|
||
|
269 -263.589414 0.262E-03 0.384303 0.221E-02 0.007530 0.332E-04 29269.4330
|
||
|
270 -263.589385 0.263E-03 0.384065 0.222E-02 0.007526 0.333E-04 29318.5572
|
||
|
271 -263.589372 0.262E-03 0.383954 0.221E-02 0.007524 0.332E-04 29369.6614
|
||
|
272 -263.589355 0.262E-03 0.383782 0.221E-02 0.007523 0.332E-04 29420.2507
|
||
|
275 -263.589322 0.259E-03 0.383534 0.219E-02 0.007518 0.329E-04 29474.3945
|
||
|
276 -263.589326 0.259E-03 0.383576 0.218E-02 0.007519 0.328E-04 29499.6494
|
||
|
277 -263.589354 0.259E-03 0.383819 0.219E-02 0.007522 0.328E-04 29541.7883
|
||
|
278 -263.589357 0.258E-03 0.383850 0.218E-02 0.007522 0.327E-04 29551.9859
|
||
|
279 -263.589346 0.258E-03 0.383740 0.218E-02 0.007521 0.326E-04 29565.0783
|
||
|
280 -263.589368 0.257E-03 0.383880 0.217E-02 0.007525 0.326E-04 29583.7083
|
||
|
281 -263.589363 0.257E-03 0.383839 0.217E-02 0.007524 0.325E-04 29628.2196
|
||
|
282 -263.589339 0.257E-03 0.383627 0.217E-02 0.007522 0.325E-04 29630.6280
|
||
|
283 -263.589361 0.257E-03 0.383842 0.217E-02 0.007524 0.325E-04 29636.9498
|
||
|
284 -263.589365 0.256E-03 0.383864 0.216E-02 0.007524 0.324E-04 29697.1668
|
||
|
285 -263.589349 0.256E-03 0.383718 0.216E-02 0.007523 0.323E-04 29706.0159
|
||
|
286 -263.589346 0.255E-03 0.383684 0.215E-02 0.007522 0.322E-04 29717.4990
|
||
|
287 -263.589336 0.254E-03 0.383598 0.215E-02 0.007521 0.321E-04 29761.5312
|
||
|
288 -263.589342 0.253E-03 0.383657 0.214E-02 0.007521 0.320E-04 29795.3965
|
||
|
289 -263.589364 0.253E-03 0.383797 0.214E-02 0.007525 0.321E-04 29819.2255
|
||
|
290 -263.589364 0.252E-03 0.383795 0.213E-02 0.007525 0.320E-04 29859.3840
|
||
|
291 -263.589356 0.252E-03 0.383711 0.213E-02 0.007524 0.319E-04 29860.7364
|
||
|
292 -263.589345 0.251E-03 0.383619 0.212E-02 0.007523 0.318E-04 29900.8311
|
||
|
293 -263.589335 0.250E-03 0.383557 0.211E-02 0.007521 0.317E-04 29950.7163
|
||
|
294 -263.589352 0.250E-03 0.383678 0.211E-02 0.007524 0.317E-04 30005.1744
|
||
|
295 -263.589340 0.249E-03 0.383561 0.211E-02 0.007523 0.316E-04 30014.5453
|
||
|
296 -263.589335 0.249E-03 0.383512 0.210E-02 0.007522 0.315E-04 30023.2967
|
||
|
297 -263.589331 0.248E-03 0.383472 0.209E-02 0.007522 0.314E-04 30064.8556
|
||
|
298 -263.589305 0.249E-03 0.383345 0.210E-02 0.007517 0.315E-04 30097.5191
|
||
|
299 -263.589323 0.248E-03 0.383439 0.209E-02 0.007520 0.316E-04 30150.4193
|
||
|
300 -263.589326 0.248E-03 0.383495 0.209E-02 0.007520 0.315E-04 30167.6477
|
||
|
301 -263.589337 0.247E-03 0.383585 0.208E-02 0.007521 0.314E-04 30172.8258
|
||
|
302 -263.589344 0.246E-03 0.383615 0.207E-02 0.007522 0.313E-04 30207.1713
|
||
|
303 -263.589360 0.246E-03 0.383760 0.207E-02 0.007524 0.313E-04 30219.9600
|
||
|
304 -263.589357 0.245E-03 0.383755 0.207E-02 0.007524 0.312E-04 30227.2835
|
||
|
305 -263.589341 0.245E-03 0.383610 0.206E-02 0.007522 0.311E-04 30249.3325
|
||
|
306 -263.589339 0.244E-03 0.383578 0.206E-02 0.007522 0.310E-04 30304.4785
|
||
|
307 -263.589333 0.243E-03 0.383513 0.205E-02 0.007521 0.309E-04 30353.8005
|
||
|
308 -263.589350 0.243E-03 0.383644 0.205E-02 0.007523 0.309E-04 30392.0848
|
||
|
309 -263.589348 0.242E-03 0.383635 0.204E-02 0.007523 0.308E-04 30399.6241
|
||
|
310 -263.589338 0.242E-03 0.383559 0.204E-02 0.007522 0.307E-04 30450.8238
|
||
|
311 -263.589320 0.242E-03 0.383417 0.204E-02 0.007519 0.307E-04 30492.0399
|
||
|
312 -263.589328 0.241E-03 0.383505 0.203E-02 0.007520 0.306E-04 30527.7564
|
||
|
313 -263.589312 0.241E-03 0.383399 0.203E-02 0.007517 0.306E-04 30554.5690
|
||
|
314 -263.589295 0.241E-03 0.383258 0.203E-02 0.007515 0.306E-04 30580.8801
|
||
|
315 -263.589282 0.240E-03 0.383166 0.202E-02 0.007513 0.306E-04 30583.1351
|
||
|
316 -263.589279 0.240E-03 0.383133 0.202E-02 0.007513 0.305E-04 30628.5070
|
||
|
317 -263.589267 0.239E-03 0.383002 0.201E-02 0.007512 0.304E-04 30681.8391
|
||
|
318 -263.589270 0.238E-03 0.383013 0.201E-02 0.007513 0.303E-04 30688.6554
|
||
|
319 -263.589262 0.236E-03 0.382962 0.199E-02 0.007512 0.300E-04 30707.8173
|
||
|
320 -263.589258 0.236E-03 0.382924 0.199E-02 0.007511 0.299E-04 30754.8621
|
||
|
321 -263.589278 0.236E-03 0.383111 0.199E-02 0.007513 0.299E-04 30755.8864
|
||
|
322 -263.589276 0.235E-03 0.383077 0.198E-02 0.007513 0.298E-04 30809.2778
|
||
|
323 -263.589262 0.235E-03 0.382947 0.198E-02 0.007512 0.297E-04 30832.0742
|
||
|
324 -263.589265 0.234E-03 0.382975 0.198E-02 0.007512 0.297E-04 30837.9305
|
||
|
325 -263.589245 0.234E-03 0.382799 0.198E-02 0.007510 0.297E-04 30870.1465
|
||
|
326 -263.589248 0.234E-03 0.382837 0.197E-02 0.007510 0.296E-04 30881.4237
|
||
|
327 -263.589256 0.233E-03 0.382877 0.197E-02 0.007511 0.295E-04 30887.4591
|
||
|
328 -263.589270 0.233E-03 0.382992 0.196E-02 0.007513 0.295E-04 30938.8912
|
||
|
329 -263.589259 0.232E-03 0.382894 0.196E-02 0.007512 0.294E-04 30990.0528
|
||
|
330 -263.589289 0.234E-03 0.383139 0.197E-02 0.007516 0.296E-04 30999.0985
|
||
|
331 -263.589297 0.233E-03 0.383202 0.197E-02 0.007517 0.295E-04 31040.7000
|
||
|
332 -263.589302 0.232E-03 0.383266 0.196E-02 0.007517 0.295E-04 31059.4273
|
||
|
333 -263.589283 0.230E-03 0.383050 0.194E-02 0.007516 0.292E-04 31070.1115
|
||
|
335 -263.589284 0.229E-03 0.383080 0.193E-02 0.007516 0.290E-04 31095.6694
|
||
|
336 -263.589302 0.229E-03 0.383216 0.193E-02 0.007518 0.291E-04 31110.8137
|
||
|
337 -263.589308 0.228E-03 0.383260 0.192E-02 0.007519 0.290E-04 31114.0410
|
||
|
338 -263.589325 0.228E-03 0.383399 0.192E-02 0.007521 0.290E-04 31121.7420
|
||
|
339 -263.589319 0.228E-03 0.383348 0.192E-02 0.007520 0.289E-04 31138.1808
|
||
|
340 -263.589309 0.227E-03 0.383275 0.191E-02 0.007519 0.288E-04 31153.2518
|
||
|
341 -263.589313 0.227E-03 0.383360 0.191E-02 0.007519 0.288E-04 31163.3268
|
||
|
342 -263.589327 0.226E-03 0.383457 0.191E-02 0.007521 0.287E-04 31214.1774
|
||
|
343 -263.589322 0.226E-03 0.383405 0.190E-02 0.007520 0.287E-04 31240.8171
|
||
|
344 -263.589321 0.225E-03 0.383387 0.190E-02 0.007520 0.286E-04 31255.8710
|
||
|
345 -263.589333 0.225E-03 0.383528 0.190E-02 0.007521 0.285E-04 31265.4906
|
||
|
346 -263.589341 0.224E-03 0.383590 0.189E-02 0.007522 0.284E-04 31317.5856
|
||
|
347 -263.589332 0.224E-03 0.383544 0.189E-02 0.007521 0.284E-04 31342.4193
|
||
|
348 -263.589335 0.223E-03 0.383580 0.188E-02 0.007521 0.283E-04 31353.5082
|
||
|
349 -263.589354 0.223E-03 0.383755 0.188E-02 0.007523 0.283E-04 31368.0538
|
||
|
350 -263.589340 0.223E-03 0.383625 0.188E-02 0.007522 0.283E-04 31410.6356
|
||
|
351 -263.589344 0.222E-03 0.383628 0.187E-02 0.007522 0.281E-04 31436.8471
|
||
|
352 -263.589334 0.221E-03 0.383551 0.187E-02 0.007521 0.280E-04 31474.6036
|
||
|
353 -263.589315 0.221E-03 0.383382 0.187E-02 0.007519 0.280E-04 31495.6442
|
||
|
356 -263.589318 0.220E-03 0.383410 0.186E-02 0.007519 0.278E-04 31520.6698
|
||
|
357 -263.589325 0.219E-03 0.383442 0.185E-02 0.007520 0.278E-04 31556.0627
|
||
|
358 -263.589314 0.219E-03 0.383340 0.185E-02 0.007519 0.277E-04 31572.8021
|
||
|
359 -263.589333 0.219E-03 0.383515 0.185E-02 0.007521 0.277E-04 31610.0335
|
||
|
360 -263.589319 0.219E-03 0.383402 0.185E-02 0.007520 0.277E-04 31640.1946
|
||
|
361 -263.589313 0.218E-03 0.383348 0.185E-02 0.007519 0.276E-04 31686.6739
|
||
|
362 -263.589322 0.218E-03 0.383394 0.184E-02 0.007520 0.276E-04 31704.5587
|
||
|
363 -263.589329 0.217E-03 0.383429 0.184E-02 0.007522 0.276E-04 31736.4147
|
||
|
364 -263.589320 0.217E-03 0.383356 0.183E-02 0.007520 0.275E-04 31778.1731
|
||
|
366 -263.589314 0.216E-03 0.383283 0.183E-02 0.007520 0.274E-04 31780.6836
|
||
|
367 -263.589316 0.216E-03 0.383297 0.182E-02 0.007520 0.273E-04 31811.8109
|
||
|
368 -263.589325 0.215E-03 0.383401 0.182E-02 0.007521 0.273E-04 31821.7055
|
||
|
369 -263.589321 0.215E-03 0.383327 0.182E-02 0.007521 0.272E-04 31843.7290
|
||
|
370 -263.589319 0.214E-03 0.383305 0.181E-02 0.007521 0.271E-04 31856.0070
|
||
|
371 -263.589327 0.214E-03 0.383353 0.181E-02 0.007522 0.271E-04 31890.5064
|
||
|
372 -263.589326 0.213E-03 0.383350 0.180E-02 0.007522 0.270E-04 31934.6704
|
||
|
373 -263.589325 0.213E-03 0.383358 0.180E-02 0.007522 0.269E-04 31957.1173
|
||
|
374 -263.589321 0.212E-03 0.383317 0.179E-02 0.007521 0.269E-04 31983.3250
|
||
|
375 -263.589322 0.211E-03 0.383310 0.179E-02 0.007522 0.268E-04 32009.1013
|
||
|
377 -263.589358 0.211E-03 0.383568 0.178E-02 0.007527 0.268E-04 32019.9874
|
||
|
378 -263.589372 0.211E-03 0.383704 0.178E-02 0.007528 0.268E-04 32064.3646
|
||
|
379 -263.589375 0.211E-03 0.383744 0.178E-02 0.007529 0.267E-04 32100.0830
|
||
|
380 -263.589374 0.210E-03 0.383728 0.177E-02 0.007528 0.267E-04 32139.6314
|
||
|
381 -263.589394 0.210E-03 0.383868 0.178E-02 0.007532 0.268E-04 32150.5024
|
||
|
382 -263.589386 0.210E-03 0.383809 0.177E-02 0.007530 0.267E-04 32191.6829
|
||
|
383 -263.589370 0.210E-03 0.383689 0.177E-02 0.007528 0.267E-04 32198.7802
|
||
|
384 -263.589366 0.210E-03 0.383653 0.177E-02 0.007528 0.267E-04 32246.2259
|
||
|
385 -263.589372 0.209E-03 0.383727 0.176E-02 0.007528 0.266E-04 32255.8455
|
||
|
386 -263.589369 0.209E-03 0.383700 0.176E-02 0.007528 0.265E-04 32301.5022
|
||
|
387 -263.589360 0.208E-03 0.383613 0.176E-02 0.007527 0.265E-04 32327.1524
|
||
|
388 -263.589347 0.208E-03 0.383499 0.176E-02 0.007525 0.265E-04 32358.1968
|
||
|
389 -263.589362 0.208E-03 0.383616 0.176E-02 0.007527 0.265E-04 32379.0032
|
||
|
390 -263.589350 0.208E-03 0.383524 0.175E-02 0.007526 0.264E-04 32403.6511
|
||
|
392 -263.589344 0.207E-03 0.383488 0.175E-02 0.007525 0.263E-04 32429.8167
|
||
|
393 -263.589353 0.207E-03 0.383589 0.174E-02 0.007525 0.263E-04 32446.6031
|
||
|
394 -263.589359 0.206E-03 0.383630 0.174E-02 0.007526 0.262E-04 32492.9225
|
||
|
395 -263.589362 0.206E-03 0.383658 0.174E-02 0.007527 0.262E-04 32530.5060
|
||
|
396 -263.589366 0.205E-03 0.383718 0.173E-02 0.007527 0.261E-04 32534.4469
|
||
|
397 -263.589356 0.205E-03 0.383623 0.173E-02 0.007526 0.261E-04 32542.0403
|
||
|
398 -263.589367 0.205E-03 0.383722 0.173E-02 0.007527 0.260E-04 32582.9752
|
||
|
399 -263.589393 0.206E-03 0.383973 0.174E-02 0.007530 0.261E-04 32588.7145
|
||
|
400 -263.589404 0.206E-03 0.384066 0.174E-02 0.007531 0.261E-04 32593.9925
|
||
|
401 -263.589405 0.205E-03 0.384099 0.174E-02 0.007531 0.260E-04 32613.8256
|
||
|
402 -263.589410 0.205E-03 0.384115 0.173E-02 0.007532 0.260E-04 32637.6301
|
||
|
403 -263.589419 0.204E-03 0.384209 0.173E-02 0.007533 0.259E-04 32685.1892
|
||
|
404 -263.589408 0.204E-03 0.384107 0.173E-02 0.007531 0.259E-04 32698.3804
|
||
|
405 -263.589401 0.204E-03 0.384038 0.173E-02 0.007531 0.258E-04 32725.5330
|
||
|
406 -263.589409 0.204E-03 0.384095 0.172E-02 0.007532 0.258E-04 32762.0303
|
||
|
407 -263.589411 0.203E-03 0.384096 0.172E-02 0.007532 0.257E-04 32772.0338
|
||
|
408 -263.589397 0.200E-03 0.383965 0.169E-02 0.007531 0.254E-04 32777.0470
|
||
|
409 -263.589400 0.200E-03 0.384019 0.169E-02 0.007531 0.253E-04 32792.8342
|
||
|
410 -263.589388 0.200E-03 0.383911 0.169E-02 0.007530 0.253E-04 32817.2539
|
||
|
411 -263.589393 0.199E-03 0.383921 0.168E-02 0.007531 0.253E-04 32862.8003
|
||
|
412 -263.589404 0.199E-03 0.384016 0.168E-02 0.007532 0.252E-04 32868.4976
|
||
|
413 -263.589412 0.199E-03 0.384097 0.168E-02 0.007533 0.252E-04 32886.9817
|
||
|
414 -263.589422 0.198E-03 0.384178 0.168E-02 0.007534 0.252E-04 32891.9110
|
||
|
415 -263.589423 0.198E-03 0.384199 0.168E-02 0.007534 0.251E-04 32912.8589
|
||
|
417 -263.589409 0.197E-03 0.384076 0.167E-02 0.007532 0.250E-04 32926.1867
|
||
|
418 -263.589408 0.197E-03 0.384067 0.167E-02 0.007532 0.250E-04 32964.7920
|
||
|
420 -263.589409 0.196E-03 0.384067 0.166E-02 0.007533 0.248E-04 32997.8426
|
||
|
421 -263.589409 0.195E-03 0.384069 0.165E-02 0.007533 0.248E-04 33042.4238
|
||
|
422 -263.589424 0.195E-03 0.384192 0.165E-02 0.007534 0.248E-04 33072.3720
|
||
|
423 -263.589412 0.195E-03 0.384097 0.165E-02 0.007533 0.248E-04 33104.8241
|
||
|
424 -263.589406 0.195E-03 0.384045 0.165E-02 0.007532 0.247E-04 33123.8682
|
||
|
425 -263.589414 0.195E-03 0.384092 0.165E-02 0.007533 0.247E-04 33144.6209
|
||
|
426 -263.589403 0.194E-03 0.383999 0.165E-02 0.007532 0.247E-04 33153.8074
|
||
|
427 -263.589399 0.194E-03 0.383964 0.164E-02 0.007531 0.246E-04 33170.7339
|
||
|
428 -263.589405 0.194E-03 0.384012 0.164E-02 0.007532 0.246E-04 33187.8203
|
||
|
429 -263.589406 0.193E-03 0.384031 0.164E-02 0.007532 0.245E-04 33195.2205
|
||
|
430 -263.589412 0.193E-03 0.384072 0.163E-02 0.007533 0.245E-04 33239.9750
|
||
|
431 -263.589391 0.194E-03 0.383885 0.164E-02 0.007531 0.246E-04 33247.9278
|
||
|
432 -263.589395 0.193E-03 0.383900 0.164E-02 0.007531 0.245E-04 33283.6078
|
||
|
433 -263.589401 0.193E-03 0.383931 0.163E-02 0.007532 0.245E-04 33301.9665
|
||
|
434 -263.589398 0.193E-03 0.383891 0.163E-02 0.007532 0.244E-04 33310.4897
|
||
|
435 -263.589417 0.192E-03 0.384066 0.163E-02 0.007534 0.244E-04 33315.8343
|
||
|
436 -263.589416 0.192E-03 0.384081 0.162E-02 0.007534 0.243E-04 33327.1207
|
||
|
437 -263.589422 0.191E-03 0.384123 0.162E-02 0.007535 0.243E-04 33338.4530
|
||
|
438 -263.589436 0.192E-03 0.384241 0.162E-02 0.007537 0.243E-04 33351.8400
|
||
|
439 -263.589438 0.191E-03 0.384251 0.162E-02 0.007537 0.242E-04 33376.7666
|
||
|
440 -263.589439 0.191E-03 0.384247 0.161E-02 0.007537 0.242E-04 33409.5539
|
||
|
441 -263.589438 0.190E-03 0.384212 0.161E-02 0.007537 0.241E-04 33428.4985
|
||
|
442 -263.589427 0.190E-03 0.384125 0.161E-02 0.007536 0.241E-04 33461.1784
|
||
|
443 -263.589441 0.190E-03 0.384243 0.161E-02 0.007538 0.241E-04 33466.1387
|
||
|
444 -263.589447 0.190E-03 0.384305 0.161E-02 0.007538 0.241E-04 33482.5050
|
||
|
445 -263.589444 0.189E-03 0.384299 0.160E-02 0.007538 0.240E-04 33488.5789
|
||
|
446 -263.589435 0.189E-03 0.384219 0.160E-02 0.007537 0.240E-04 33517.9466
|
||
|
447 -263.589438 0.189E-03 0.384234 0.160E-02 0.007537 0.239E-04 33521.8080
|
||
|
448 -263.589446 0.189E-03 0.384308 0.160E-02 0.007538 0.239E-04 33535.4695
|
||
|
449 -263.589443 0.188E-03 0.384275 0.159E-02 0.007538 0.239E-04 33540.5515
|
||
|
450 -263.589432 0.188E-03 0.384168 0.159E-02 0.007537 0.238E-04 33553.5089
|
||
|
451 -263.589426 0.188E-03 0.384121 0.159E-02 0.007536 0.238E-04 33560.1979
|
||
|
452 -263.589418 0.188E-03 0.384041 0.159E-02 0.007535 0.238E-04 33591.6305
|
||
|
453 -263.589408 0.187E-03 0.383964 0.159E-02 0.007534 0.238E-04 33613.1093
|
||
|
454 -263.589419 0.187E-03 0.384079 0.159E-02 0.007535 0.237E-04 33645.1728
|
||
|
455 -263.589420 0.187E-03 0.384081 0.158E-02 0.007535 0.237E-04 33676.3128
|
||
|
456 -263.589439 0.188E-03 0.384211 0.159E-02 0.007538 0.238E-04 33696.8495
|
||
|
457 -263.589449 0.187E-03 0.384268 0.158E-02 0.007539 0.238E-04 33716.6895
|
||
|
459 -263.589453 0.187E-03 0.384323 0.158E-02 0.007540 0.237E-04 33743.1958
|
||
|
460 -263.589453 0.186E-03 0.384336 0.157E-02 0.007540 0.237E-04 33744.8517
|
||
|
461 -263.589449 0.186E-03 0.384289 0.157E-02 0.007539 0.236E-04 33756.5196
|
||
|
462 -263.589442 0.186E-03 0.384226 0.157E-02 0.007538 0.236E-04 33800.9700
|
||
|
463 -263.589449 0.185E-03 0.384268 0.157E-02 0.007539 0.235E-04 33806.8734
|
||
|
465 -263.589463 0.186E-03 0.384362 0.157E-02 0.007541 0.236E-04 33820.6753
|
||
|
466 -263.589457 0.185E-03 0.384309 0.156E-02 0.007541 0.236E-04 33826.6408
|
||
|
467 -263.589463 0.185E-03 0.384361 0.156E-02 0.007541 0.235E-04 33848.5425
|
||
|
469 -263.589470 0.185E-03 0.384382 0.156E-02 0.007543 0.235E-04 33854.5160
|
||
|
470 -263.589482 0.185E-03 0.384468 0.156E-02 0.007545 0.235E-04 33859.1762
|
||
|
471 -263.589475 0.185E-03 0.384403 0.156E-02 0.007544 0.235E-04 33874.4967
|
||
|
473 -263.589481 0.184E-03 0.384449 0.155E-02 0.007545 0.234E-04 33914.4977
|
||
|
474 -263.589482 0.184E-03 0.384451 0.155E-02 0.007545 0.234E-04 33941.6841
|
||
|
475 -263.589478 0.183E-03 0.384405 0.154E-02 0.007544 0.233E-04 33960.1922
|
||
|
476 -263.589474 0.183E-03 0.384384 0.154E-02 0.007544 0.233E-04 33972.9106
|
||
|
477 -263.589469 0.183E-03 0.384350 0.154E-02 0.007543 0.233E-04 33978.4511
|
||
|
479 -263.589484 0.183E-03 0.384473 0.154E-02 0.007545 0.233E-04 34005.5722
|
||
|
480 -263.589493 0.182E-03 0.384529 0.154E-02 0.007546 0.233E-04 34030.0693
|
||
|
481 -263.589489 0.182E-03 0.384485 0.153E-02 0.007546 0.232E-04 34061.9886
|
||
|
482 -263.589485 0.182E-03 0.384429 0.153E-02 0.007546 0.232E-04 34082.1439
|
||
|
483 -263.589496 0.182E-03 0.384532 0.153E-02 0.007547 0.231E-04 34107.2015
|
||
|
484 -263.589498 0.181E-03 0.384550 0.153E-02 0.007548 0.231E-04 34130.3503
|
||
|
485 -263.589492 0.181E-03 0.384507 0.153E-02 0.007547 0.231E-04 34152.7789
|
||
|
486 -263.589509 0.182E-03 0.384660 0.153E-02 0.007549 0.231E-04 34157.2846
|
||
|
487 -263.589499 0.182E-03 0.384566 0.153E-02 0.007548 0.231E-04 34203.3977
|
||
|
488 -263.589501 0.181E-03 0.384586 0.153E-02 0.007548 0.231E-04 34206.6540
|
||
|
489 -263.589522 0.182E-03 0.384773 0.154E-02 0.007550 0.231E-04 34255.7517
|
||
|
490 -263.589528 0.182E-03 0.384816 0.153E-02 0.007551 0.231E-04 34281.9144
|
||
|
491 -263.589525 0.181E-03 0.384800 0.153E-02 0.007551 0.231E-04 34291.5814
|
||
|
492 -263.589529 0.181E-03 0.384841 0.153E-02 0.007551 0.230E-04 34317.1454
|
||
|
493 -263.589519 0.181E-03 0.384749 0.153E-02 0.007550 0.230E-04 34337.7259
|
||
|
494 -263.589506 0.181E-03 0.384654 0.153E-02 0.007548 0.230E-04 34358.5188
|
||
|
495 -263.589505 0.181E-03 0.384659 0.152E-02 0.007548 0.230E-04 34390.0121
|
||
|
496 -263.589498 0.180E-03 0.384594 0.152E-02 0.007547 0.229E-04 34397.0906
|
||
|
497 -263.589501 0.180E-03 0.384600 0.152E-02 0.007548 0.229E-04 34432.8201
|
||
|
498 -263.589506 0.180E-03 0.384660 0.152E-02 0.007548 0.229E-04 34440.4082
|
||
|
499 -263.589515 0.180E-03 0.384754 0.152E-02 0.007549 0.228E-04 34443.1766
|
||
|
500 -263.589515 0.179E-03 0.384741 0.151E-02 0.007549 0.228E-04 34446.3491
|
||
|
501 -263.589510 0.179E-03 0.384702 0.151E-02 0.007548 0.228E-04 34452.2029
|
||
|
502 -263.589526 0.176E-03 0.384819 0.149E-02 0.007550 0.224E-04 34466.8580
|
||
|
503 -263.589532 0.176E-03 0.384877 0.149E-02 0.007551 0.224E-04 34472.3046
|
||
|
504 -263.589531 0.176E-03 0.384862 0.148E-02 0.007551 0.223E-04 34480.2038
|
||
|
505 -263.589535 0.175E-03 0.384898 0.148E-02 0.007552 0.223E-04 34492.0701
|
||
|
506 -263.589534 0.175E-03 0.384879 0.148E-02 0.007551 0.222E-04 34498.6154
|
||
|
507 -263.589545 0.175E-03 0.384989 0.148E-02 0.007553 0.222E-04 34519.0120
|
||
|
508 -263.589560 0.175E-03 0.385107 0.148E-02 0.007555 0.223E-04 34523.2401
|
||
|
509 -263.589557 0.175E-03 0.385068 0.148E-02 0.007554 0.222E-04 34528.3226
|
||
|
510 -263.589556 0.175E-03 0.385066 0.148E-02 0.007554 0.222E-04 34532.4601
|
||
|
511 -263.589550 0.174E-03 0.385008 0.147E-02 0.007553 0.222E-04 34572.5823
|
||
|
513 -263.589560 0.174E-03 0.385111 0.147E-02 0.007554 0.221E-04 34585.6551
|
||
|
514 -263.589555 0.174E-03 0.385075 0.147E-02 0.007554 0.221E-04 34598.3884
|
||
|
515 -263.589555 0.174E-03 0.385068 0.147E-02 0.007554 0.221E-04 34604.1862
|
||
|
516 -263.589564 0.174E-03 0.385129 0.147E-02 0.007555 0.221E-04 34612.8019
|
||
|
517 -263.589563 0.173E-03 0.385136 0.146E-02 0.007555 0.220E-04 34624.4299
|
||
|
518 -263.589565 0.173E-03 0.385157 0.146E-02 0.007555 0.220E-04 34634.9744
|
||
|
519 -263.589568 0.173E-03 0.385187 0.146E-02 0.007555 0.219E-04 34656.2499
|
||
|
520 -263.589561 0.172E-03 0.385144 0.146E-02 0.007554 0.219E-04 34680.2072
|
||
|
521 -263.589560 0.172E-03 0.385137 0.145E-02 0.007554 0.219E-04 34699.9587
|
||
|
522 -263.589564 0.172E-03 0.385182 0.145E-02 0.007555 0.218E-04 34707.4400
|
||
|
523 -263.589556 0.172E-03 0.385101 0.145E-02 0.007554 0.218E-04 34712.4794
|
||
|
524 -263.589545 0.172E-03 0.385014 0.145E-02 0.007552 0.218E-04 34725.6459
|
||
|
525 -263.589543 0.171E-03 0.384996 0.145E-02 0.007552 0.218E-04 34736.5026
|
||
|
526 -263.589547 0.171E-03 0.385028 0.145E-02 0.007553 0.217E-04 34754.8134
|
||
|
528 -263.589550 0.170E-03 0.385029 0.144E-02 0.007553 0.217E-04 34779.0958
|
||
|
529 -263.589573 0.172E-03 0.385207 0.145E-02 0.007556 0.218E-04 34781.6825
|
||
|
530 -263.589588 0.172E-03 0.385322 0.145E-02 0.007558 0.219E-04 34807.2082
|
||
|
531 -263.589595 0.172E-03 0.385382 0.145E-02 0.007559 0.219E-04 34839.2345
|
||
|
532 -263.589601 0.172E-03 0.385463 0.145E-02 0.007559 0.218E-04 34851.4518
|
||
|
533 -263.589608 0.171E-03 0.385510 0.145E-02 0.007560 0.218E-04 34854.8979
|
||
|
534 -263.589603 0.171E-03 0.385464 0.145E-02 0.007560 0.218E-04 34891.3849
|
||
|
535 -263.589614 0.171E-03 0.385569 0.145E-02 0.007561 0.218E-04 34908.6208
|
||
|
536 -263.589606 0.171E-03 0.385521 0.145E-02 0.007560 0.218E-04 34918.2493
|
||
|
537 -263.589609 0.171E-03 0.385542 0.144E-02 0.007560 0.217E-04 34927.5116
|
||
|
539 -263.589620 0.171E-03 0.385646 0.144E-02 0.007561 0.217E-04 34963.7724
|
||
|
540 -263.589628 0.170E-03 0.385690 0.144E-02 0.007563 0.217E-04 34966.3177
|
||
|
541 -263.589622 0.170E-03 0.385641 0.144E-02 0.007562 0.217E-04 34985.6615
|
||
|
542 -263.589619 0.170E-03 0.385617 0.144E-02 0.007562 0.216E-04 35006.4427
|
||
|
544 -263.589615 0.169E-03 0.385591 0.143E-02 0.007561 0.216E-04 35040.6994
|
||
|
545 -263.589618 0.169E-03 0.385620 0.143E-02 0.007561 0.215E-04 35082.2173
|
||
|
547 -263.589634 0.169E-03 0.385710 0.143E-02 0.007564 0.216E-04 35088.9030
|
||
|
548 -263.589656 0.169E-03 0.385893 0.142E-02 0.007567 0.215E-04 35123.5961
|
||
|
549 -263.589660 0.168E-03 0.385953 0.142E-02 0.007567 0.215E-04 35134.4733
|
||
|
551 -263.589643 0.168E-03 0.385795 0.142E-02 0.007565 0.214E-04 35142.1925
|
||
|
552 -263.589641 0.168E-03 0.385763 0.142E-02 0.007565 0.214E-04 35165.3750
|
||
|
553 -263.589643 0.168E-03 0.385787 0.141E-02 0.007565 0.214E-04 35184.1557
|
||
|
554 -263.589647 0.167E-03 0.385809 0.141E-02 0.007566 0.213E-04 35192.0121
|
||
|
555 -263.589651 0.167E-03 0.385862 0.141E-02 0.007566 0.213E-04 35213.4937
|
||
|
556 -263.589652 0.167E-03 0.385866 0.141E-02 0.007566 0.213E-04 35239.0348
|
||
|
557 -263.589652 0.166E-03 0.385884 0.141E-02 0.007566 0.212E-04 35268.3010
|
||
|
558 -263.589647 0.166E-03 0.385842 0.140E-02 0.007565 0.212E-04 35292.1608
|
||
|
559 -263.589648 0.166E-03 0.385862 0.140E-02 0.007565 0.211E-04 35323.1445
|
||
|
560 -263.589642 0.166E-03 0.385815 0.140E-02 0.007565 0.211E-04 35330.0448
|
||
|
561 -263.589641 0.165E-03 0.385801 0.140E-02 0.007564 0.211E-04 35341.8468
|
||
|
562 -263.589638 0.165E-03 0.385784 0.139E-02 0.007564 0.211E-04 35349.4964
|
||
|
563 -263.589630 0.165E-03 0.385724 0.139E-02 0.007563 0.210E-04 35379.8538
|
||
|
564 -263.589639 0.165E-03 0.385786 0.139E-02 0.007564 0.210E-04 35405.9441
|
||
|
565 -263.589646 0.165E-03 0.385826 0.139E-02 0.007565 0.210E-04 35445.1028
|
||
|
567 -263.589649 0.164E-03 0.385830 0.139E-02 0.007566 0.210E-04 35472.0166
|
||
|
568 -263.589655 0.164E-03 0.385878 0.138E-02 0.007567 0.209E-04 35504.0199
|
||
|
569 -263.589652 0.164E-03 0.385866 0.138E-02 0.007566 0.209E-04 35523.1543
|
||
|
570 -263.589653 0.164E-03 0.385885 0.138E-02 0.007566 0.209E-04 35551.6503
|
||
|
572 -263.589641 0.163E-03 0.385788 0.138E-02 0.007564 0.208E-04 35556.8162
|
||
|
573 -263.589648 0.163E-03 0.385855 0.138E-02 0.007565 0.208E-04 35584.8007
|
||
|
574 -263.589653 0.163E-03 0.385888 0.137E-02 0.007566 0.208E-04 35587.5002
|
||
|
575 -263.589640 0.163E-03 0.385778 0.138E-02 0.007565 0.208E-04 35605.7187
|
||
|
576 -263.589643 0.163E-03 0.385803 0.137E-02 0.007565 0.208E-04 35631.7107
|
||
|
577 -263.589643 0.163E-03 0.385820 0.137E-02 0.007565 0.208E-04 35663.5970
|
||
|
579 -263.589652 0.162E-03 0.385879 0.137E-02 0.007566 0.207E-04 35673.5529
|
||
|
580 -263.589658 0.162E-03 0.385931 0.137E-02 0.007567 0.207E-04 35690.3332
|
||
|
582 -263.589653 0.162E-03 0.385897 0.136E-02 0.007566 0.207E-04 35698.8405
|
||
|
583 -263.589652 0.161E-03 0.385896 0.136E-02 0.007566 0.206E-04 35723.3334
|
||
|
584 -263.589656 0.161E-03 0.385937 0.136E-02 0.007566 0.206E-04 35752.8821
|
||
|
585 -263.589657 0.161E-03 0.385941 0.136E-02 0.007566 0.205E-04 35778.5223
|
||
|
586 -263.589650 0.161E-03 0.385889 0.135E-02 0.007565 0.205E-04 35795.6475
|
||
|
587 -263.589648 0.160E-03 0.385874 0.135E-02 0.007565 0.205E-04 35811.9528
|
||
|
588 -263.589640 0.160E-03 0.385799 0.135E-02 0.007564 0.205E-04 35821.4548
|
||
|
589 -263.589646 0.160E-03 0.385856 0.135E-02 0.007565 0.205E-04 35835.3075
|
||
|
590 -263.589646 0.160E-03 0.385861 0.135E-02 0.007565 0.204E-04 35846.0353
|
||
|
591 -263.589642 0.160E-03 0.385819 0.135E-02 0.007564 0.204E-04 35848.4828
|
||
|
592 -263.589646 0.160E-03 0.385859 0.134E-02 0.007565 0.204E-04 35860.0850
|
||
|
593 -263.589651 0.159E-03 0.385898 0.134E-02 0.007565 0.203E-04 35897.7494
|
||
|
594 -263.589643 0.158E-03 0.385855 0.134E-02 0.007564 0.202E-04 35908.2601
|
||
|
595 -263.589634 0.158E-03 0.385789 0.133E-02 0.007563 0.202E-04 35927.5057
|
||
|
596 -263.589636 0.158E-03 0.385800 0.133E-02 0.007563 0.202E-04 35932.2931
|
||
|
597 -263.589636 0.158E-03 0.385811 0.133E-02 0.007563 0.202E-04 35949.2400
|
||
|
599 -263.589631 0.158E-03 0.385773 0.133E-02 0.007562 0.201E-04 35962.9237
|
||
|
600 -263.589638 0.158E-03 0.385839 0.133E-02 0.007563 0.201E-04 35975.2471
|
||
|
601 -263.589628 0.158E-03 0.385759 0.133E-02 0.007562 0.201E-04 36005.1891
|
||
|
602 -263.589630 0.157E-03 0.385795 0.133E-02 0.007562 0.201E-04 36032.0731
|
||
|
604 -263.589651 0.158E-03 0.385986 0.133E-02 0.007564 0.201E-04 36037.6785
|
||
|
605 -263.589650 0.157E-03 0.385982 0.133E-02 0.007564 0.201E-04 36041.8113
|
||
|
606 -263.589657 0.157E-03 0.386038 0.133E-02 0.007565 0.201E-04 36075.0286
|
||
|
607 -263.589655 0.157E-03 0.386005 0.133E-02 0.007565 0.200E-04 36088.1533
|
||
|
608 -263.589656 0.157E-03 0.386035 0.132E-02 0.007565 0.200E-04 36123.2752
|
||
|
609 -263.589665 0.157E-03 0.386119 0.132E-02 0.007566 0.200E-04 36132.9027
|
||
|
610 -263.589658 0.157E-03 0.386073 0.132E-02 0.007565 0.200E-04 36139.5307
|
||
|
611 -263.589658 0.156E-03 0.386066 0.132E-02 0.007565 0.200E-04 36170.9600
|
||
|
612 -263.589669 0.156E-03 0.386152 0.132E-02 0.007566 0.200E-04 36192.7230
|
||
|
613 -263.589665 0.156E-03 0.386125 0.132E-02 0.007566 0.199E-04 36199.5104
|
||
|
614 -263.589665 0.156E-03 0.386117 0.132E-02 0.007566 0.199E-04 36216.2652
|
||
|
616 -263.589674 0.156E-03 0.386188 0.131E-02 0.007567 0.198E-04 36244.7333
|
||
|
617 -263.589676 0.155E-03 0.386203 0.131E-02 0.007567 0.198E-04 36246.5295
|
||
|
618 -263.589676 0.155E-03 0.386204 0.131E-02 0.007567 0.198E-04 36272.4120
|
||
|
619 -263.589669 0.155E-03 0.386152 0.131E-02 0.007566 0.198E-04 36292.8240
|
||
|
620 -263.589663 0.155E-03 0.386107 0.131E-02 0.007565 0.198E-04 36298.0371
|
||
|
621 -263.589664 0.155E-03 0.386110 0.131E-02 0.007565 0.197E-04 36301.7116
|
||
|
622 -263.589658 0.154E-03 0.386078 0.130E-02 0.007565 0.197E-04 36317.0102
|
||
|
623 -263.589657 0.154E-03 0.386059 0.130E-02 0.007565 0.197E-04 36325.0652
|
||
|
624 -263.589653 0.154E-03 0.386033 0.130E-02 0.007564 0.196E-04 36347.9461
|
||
|
625 -263.589653 0.154E-03 0.386023 0.130E-02 0.007564 0.196E-04 36375.7427
|
||
|
626 -263.589664 0.154E-03 0.386125 0.130E-02 0.007566 0.196E-04 36397.2244
|
||
|
627 -263.589662 0.154E-03 0.386109 0.130E-02 0.007565 0.196E-04 36424.2221
|
||
|
628 -263.589661 0.153E-03 0.386107 0.130E-02 0.007565 0.196E-04 36427.8159
|
||
|
629 -263.589666 0.153E-03 0.386137 0.129E-02 0.007566 0.196E-04 36442.0877
|
||
|
630 -263.589666 0.153E-03 0.386135 0.129E-02 0.007566 0.195E-04 36447.4564
|
||
|
631 -263.589662 0.153E-03 0.386100 0.129E-02 0.007566 0.195E-04 36451.2394
|
||
|
632 -263.589667 0.153E-03 0.386153 0.129E-02 0.007566 0.195E-04 36471.3498
|
||
|
633 -263.589668 0.152E-03 0.386154 0.129E-02 0.007566 0.194E-04 36494.8045
|
||
|
634 -263.589671 0.152E-03 0.386181 0.129E-02 0.007567 0.194E-04 36502.0898
|
||
|
635 -263.589673 0.152E-03 0.386183 0.128E-02 0.007567 0.194E-04 36508.1305
|
||
|
636 -263.589656 0.151E-03 0.386026 0.128E-02 0.007565 0.193E-04 36520.8127
|
||
|
638 -263.589666 0.151E-03 0.386106 0.128E-02 0.007566 0.193E-04 36551.1499
|
||
|
639 -263.589669 0.151E-03 0.386150 0.128E-02 0.007566 0.192E-04 36580.3973
|
||
|
640 -263.589684 0.151E-03 0.386301 0.129E-02 0.007568 0.192E-04 36608.5306
|
||
|
641 -263.589687 0.151E-03 0.386330 0.128E-02 0.007568 0.192E-04 36610.7554
|
||
|
642 -263.589689 0.151E-03 0.386336 0.128E-02 0.007569 0.192E-04 36625.0384
|
||
|
643 -263.589685 0.151E-03 0.386302 0.128E-02 0.007568 0.192E-04 36634.4746
|
||
|
644 -263.589679 0.151E-03 0.386246 0.128E-02 0.007567 0.192E-04 36637.0492
|
||
|
645 -263.589676 0.151E-03 0.386230 0.128E-02 0.007567 0.191E-04 36676.2039
|
||
|
646 -263.589669 0.151E-03 0.386165 0.128E-02 0.007566 0.191E-04 36680.1683
|
||
|
647 -263.589668 0.150E-03 0.386171 0.127E-02 0.007566 0.191E-04 36692.0184
|
||
|
648 -263.589658 0.150E-03 0.386092 0.128E-02 0.007565 0.191E-04 36693.5411
|
||
|
649 -263.589660 0.150E-03 0.386112 0.127E-02 0.007565 0.191E-04 36701.8600
|
||
|
651 -263.589654 0.150E-03 0.386054 0.127E-02 0.007564 0.190E-04 36719.9790
|
||
|
652 -263.589641 0.150E-03 0.385943 0.127E-02 0.007562 0.191E-04 36727.7624
|
||
|
653 -263.589641 0.150E-03 0.385955 0.127E-02 0.007562 0.191E-04 36730.0633
|
||
|
654 -263.589646 0.150E-03 0.385992 0.127E-02 0.007563 0.190E-04 36733.5343
|
||
|
655 -263.589645 0.150E-03 0.385974 0.127E-02 0.007563 0.190E-04 36735.5091
|
||
|
656 -263.589649 0.149E-03 0.386004 0.127E-02 0.007564 0.190E-04 36762.3239
|
||
|
657 -263.589652 0.149E-03 0.386024 0.127E-02 0.007564 0.190E-04 36784.9105
|
||
|
658 -263.589654 0.149E-03 0.386039 0.126E-02 0.007564 0.189E-04 36803.4312
|
||
|
659 -263.589670 0.150E-03 0.386170 0.127E-02 0.007566 0.190E-04 36807.9040
|
||
|
660 -263.589676 0.149E-03 0.386199 0.127E-02 0.007567 0.190E-04 36810.4599
|
||
|
661 -263.589685 0.150E-03 0.386306 0.127E-02 0.007568 0.190E-04 36837.0527
|
||
|
662 -263.589686 0.149E-03 0.386321 0.127E-02 0.007568 0.190E-04 36844.1002
|
||
|
663 -263.589683 0.149E-03 0.386291 0.127E-02 0.007568 0.189E-04 36855.6266
|
||
|
664 -263.589694 0.149E-03 0.386371 0.127E-02 0.007569 0.190E-04 36882.1445
|
||
|
666 -263.589698 0.149E-03 0.386405 0.126E-02 0.007570 0.189E-04 36905.7258
|
||
|
668 -263.589701 0.149E-03 0.386435 0.126E-02 0.007570 0.189E-04 36906.9823
|
||
|
669 -263.589706 0.148E-03 0.386485 0.126E-02 0.007570 0.188E-04 36934.5368
|
||
|
670 -263.589708 0.148E-03 0.386509 0.126E-02 0.007571 0.188E-04 36946.1798
|
||
|
671 -263.589704 0.148E-03 0.386483 0.126E-02 0.007570 0.188E-04 36956.3331
|
||
|
672 -263.589703 0.148E-03 0.386476 0.125E-02 0.007570 0.188E-04 36971.6137
|
||
|
673 -263.589704 0.148E-03 0.386481 0.125E-02 0.007570 0.187E-04 36981.3170
|
||
|
674 -263.589698 0.147E-03 0.386424 0.125E-02 0.007569 0.187E-04 36983.9603
|
||
|
675 -263.589688 0.148E-03 0.386343 0.125E-02 0.007568 0.187E-04 36989.6582
|
||
|
676 -263.589692 0.147E-03 0.386391 0.125E-02 0.007568 0.187E-04 36995.1802
|
||
|
677 -263.589697 0.147E-03 0.386450 0.125E-02 0.007569 0.187E-04 37007.1718
|
||
|
678 -263.589701 0.147E-03 0.386497 0.125E-02 0.007569 0.187E-04 37013.0021
|
||
|
679 -263.589703 0.147E-03 0.386505 0.125E-02 0.007569 0.187E-04 37034.8638
|
||
|
680 -263.589697 0.147E-03 0.386461 0.125E-02 0.007569 0.186E-04 37037.3849
|
||
|
681 -263.589691 0.147E-03 0.386416 0.125E-02 0.007568 0.186E-04 37048.5084
|
||
|
682 -263.589688 0.147E-03 0.386380 0.124E-02 0.007568 0.186E-04 37070.8510
|
||
|
683 -263.589692 0.146E-03 0.386418 0.124E-02 0.007568 0.186E-04 37084.4355
|
||
|
684 -263.589692 0.146E-03 0.386411 0.124E-02 0.007568 0.186E-04 37114.0859
|
||
|
685 -263.589690 0.146E-03 0.386392 0.124E-02 0.007568 0.185E-04 37133.6965
|
||
|
686 -263.589701 0.146E-03 0.386489 0.124E-02 0.007569 0.186E-04 37150.0335
|
||
|
687 -263.589699 0.146E-03 0.386471 0.124E-02 0.007569 0.185E-04 37158.3174
|
||
|
689 -263.589709 0.146E-03 0.386487 0.124E-02 0.007571 0.186E-04 37162.8962
|
||
|
690 -263.589712 0.146E-03 0.386508 0.124E-02 0.007572 0.185E-04 37183.6822
|
||
|
691 -263.589716 0.146E-03 0.386556 0.124E-02 0.007572 0.185E-04 37187.1478
|
||
|
692 -263.589722 0.146E-03 0.386633 0.124E-02 0.007573 0.185E-04 37189.5306
|
||
|
693 -263.589724 0.146E-03 0.386653 0.124E-02 0.007573 0.185E-04 37210.0874
|
||
|
694 -263.589715 0.146E-03 0.386578 0.124E-02 0.007571 0.185E-04 37221.1902
|
||
|
695 -263.589712 0.146E-03 0.386546 0.124E-02 0.007571 0.185E-04 37235.1439
|
||
|
698 -263.589715 0.145E-03 0.386581 0.123E-02 0.007571 0.184E-04 37261.2437
|
||
|
700 -263.589713 0.145E-03 0.386552 0.123E-02 0.007571 0.184E-04 37271.6364
|
||
|
701 -263.589720 0.145E-03 0.386602 0.123E-02 0.007572 0.184E-04 37286.6451
|
||
|
702 -263.589717 0.145E-03 0.386573 0.123E-02 0.007572 0.183E-04 37288.4634
|
||
|
703 -263.589720 0.144E-03 0.386604 0.123E-02 0.007572 0.183E-04 37295.5532
|
||
|
704 -263.589724 0.144E-03 0.386633 0.123E-02 0.007573 0.183E-04 37300.0237
|
||
|
705 -263.589736 0.145E-03 0.386774 0.123E-02 0.007574 0.183E-04 37312.6810
|
||
|
707 -263.589728 0.144E-03 0.386711 0.123E-02 0.007573 0.183E-04 37340.4065
|
||
|
709 -263.589726 0.144E-03 0.386694 0.123E-02 0.007573 0.182E-04 37354.6080
|
||
|
710 -263.589723 0.144E-03 0.386665 0.123E-02 0.007572 0.182E-04 37385.4675
|
||
|
711 -263.589715 0.144E-03 0.386604 0.123E-02 0.007571 0.182E-04 37393.6901
|
||
|
712 -263.589717 0.144E-03 0.386603 0.122E-02 0.007572 0.182E-04 37396.5064
|
||
|
713 -263.589720 0.143E-03 0.386637 0.122E-02 0.007572 0.182E-04 37424.8244
|
||
|
714 -263.589720 0.143E-03 0.386646 0.122E-02 0.007572 0.181E-04 37431.9918
|
||
|
715 -263.589728 0.143E-03 0.386712 0.122E-02 0.007573 0.181E-04 37444.0953
|
||
|
716 -263.589727 0.143E-03 0.386718 0.122E-02 0.007573 0.181E-04 37445.1031
|
||
|
717 -263.589723 0.143E-03 0.386697 0.122E-02 0.007572 0.181E-04 37455.0085
|
||
|
718 -263.589719 0.143E-03 0.386663 0.122E-02 0.007571 0.181E-04 37491.7942
|
||
|
719 -263.589723 0.143E-03 0.386708 0.122E-02 0.007572 0.181E-04 37508.5221
|
||
|
720 -263.589729 0.143E-03 0.386762 0.121E-02 0.007572 0.181E-04 37519.4266
|
||
|
721 -263.589740 0.143E-03 0.386868 0.122E-02 0.007574 0.181E-04 37525.7358
|
||
|
722 -263.589754 0.143E-03 0.386985 0.122E-02 0.007575 0.181E-04 37528.5778
|
||
|
723 -263.589754 0.143E-03 0.386988 0.122E-02 0.007575 0.181E-04 37540.9675
|
||
|
725 -263.589751 0.143E-03 0.386975 0.122E-02 0.007574 0.181E-04 37552.0453
|
||
|
726 -263.589749 0.143E-03 0.386963 0.122E-02 0.007574 0.180E-04 37566.6012
|
||
|
727 -263.589749 0.142E-03 0.386988 0.121E-02 0.007574 0.180E-04 37567.6970
|
||
|
728 -263.589744 0.142E-03 0.386942 0.121E-02 0.007573 0.180E-04 37570.8743
|
||
|
729 -263.589755 0.142E-03 0.387051 0.122E-02 0.007574 0.180E-04 37573.1775
|
||
|
730 -263.589748 0.142E-03 0.386998 0.122E-02 0.007574 0.180E-04 37578.8179
|
||
|
731 -263.589746 0.142E-03 0.386976 0.121E-02 0.007573 0.180E-04 37591.6102
|
||
|
734 -263.589747 0.142E-03 0.386973 0.121E-02 0.007574 0.179E-04 37624.1214
|
||
|
735 -263.589748 0.142E-03 0.386981 0.121E-02 0.007574 0.179E-04 37639.5961
|
||
|
737 -263.589750 0.141E-03 0.387003 0.121E-02 0.007574 0.179E-04 37648.2726
|
||
|
738 -263.589748 0.141E-03 0.386983 0.121E-02 0.007574 0.179E-04 37652.7211
|
||
|
739 -263.589752 0.141E-03 0.387015 0.120E-02 0.007574 0.178E-04 37663.7139
|
||
|
740 -263.589746 0.139E-03 0.386968 0.119E-02 0.007573 0.175E-04 37673.2985
|
||
|
741 -263.589746 0.139E-03 0.386969 0.119E-02 0.007573 0.175E-04 37698.1142
|
||
|
742 -263.589745 0.139E-03 0.386969 0.119E-02 0.007573 0.175E-04 37707.4978
|
||
|
743 -263.589740 0.139E-03 0.386930 0.119E-02 0.007572 0.175E-04 37724.0214
|
||
|
744 -263.589741 0.138E-03 0.386929 0.119E-02 0.007573 0.174E-04 37730.0243
|
||
|
745 -263.589745 0.138E-03 0.386970 0.118E-02 0.007573 0.174E-04 37740.1830
|
||
|
746 -263.589745 0.138E-03 0.386963 0.118E-02 0.007573 0.174E-04 37762.8829
|
||
|
747 -263.589747 0.138E-03 0.386977 0.118E-02 0.007574 0.174E-04 37790.0792
|
||
|
748 -263.589744 0.138E-03 0.386962 0.118E-02 0.007573 0.174E-04 37804.7846
|
||
|
749 -263.589747 0.138E-03 0.386991 0.118E-02 0.007574 0.173E-04 37806.6707
|
||
|
750 -263.589748 0.138E-03 0.386994 0.118E-02 0.007574 0.173E-04 37814.1769
|
||
|
751 -263.589753 0.137E-03 0.387030 0.118E-02 0.007574 0.173E-04 37831.8769
|
||
|
755 -263.589768 0.137E-03 0.387143 0.117E-02 0.007576 0.173E-04 37837.0941
|
||
|
756 -263.589770 0.137E-03 0.387157 0.117E-02 0.007577 0.173E-04 37846.1111
|
||
|
757 -263.589774 0.137E-03 0.387179 0.117E-02 0.007577 0.173E-04 37858.2715
|
||
|
758 -263.589776 0.137E-03 0.387208 0.117E-02 0.007577 0.172E-04 37867.2288
|
||
|
759 -263.589772 0.137E-03 0.387171 0.117E-02 0.007577 0.172E-04 37875.0577
|
||
|
760 -263.589773 0.136E-03 0.387176 0.117E-02 0.007577 0.172E-04 37892.3272
|
||
|
761 -263.589769 0.136E-03 0.387142 0.117E-02 0.007577 0.172E-04 37910.1416
|
||
|
762 -263.589770 0.136E-03 0.387154 0.116E-02 0.007577 0.171E-04 37915.7184
|
||
|
763 -263.589766 0.136E-03 0.387117 0.116E-02 0.007576 0.171E-04 37921.3116
|
||
|
764 -263.589779 0.136E-03 0.387217 0.117E-02 0.007578 0.172E-04 37939.7686
|
||
|
765 -263.589774 0.136E-03 0.387179 0.117E-02 0.007577 0.172E-04 37945.0170
|
||
|
766 -263.589771 0.136E-03 0.387157 0.116E-02 0.007577 0.172E-04 37960.2574
|
||
|
768 -263.589768 0.136E-03 0.387120 0.116E-02 0.007577 0.171E-04 37986.2932
|
||
|
769 -263.589765 0.136E-03 0.387091 0.116E-02 0.007576 0.171E-04 37997.7828
|
||
|
770 -263.589775 0.136E-03 0.387172 0.116E-02 0.007578 0.171E-04 38018.5097
|
||
|
771 -263.589783 0.136E-03 0.387233 0.116E-02 0.007579 0.171E-04 38028.3040
|
||
|
772 -263.589791 0.136E-03 0.387295 0.116E-02 0.007580 0.172E-04 38045.8702
|
||
|
773 -263.589793 0.136E-03 0.387329 0.116E-02 0.007580 0.171E-04 38050.9755
|
||
|
774 -263.589797 0.136E-03 0.387367 0.116E-02 0.007580 0.171E-04 38053.9588
|
||
|
775 -263.589797 0.136E-03 0.387360 0.116E-02 0.007580 0.171E-04 38078.7111
|
||
|
776 -263.589790 0.136E-03 0.387304 0.116E-02 0.007579 0.171E-04 38087.0556
|
||
|
778 -263.589785 0.135E-03 0.387257 0.116E-02 0.007579 0.171E-04 38093.4057
|
||
|
779 -263.589783 0.135E-03 0.387248 0.115E-02 0.007579 0.170E-04 38101.7735
|
||
|
780 -263.589785 0.135E-03 0.387261 0.115E-02 0.007579 0.170E-04 38112.8368
|
||
|
781 -263.589776 0.135E-03 0.387188 0.115E-02 0.007578 0.170E-04 38117.9602
|
||
|
782 -263.589794 0.136E-03 0.387334 0.116E-02 0.007580 0.172E-04 38122.9958
|
||
|
783 -263.589794 0.136E-03 0.387339 0.116E-02 0.007580 0.171E-04 38126.6629
|
||
|
784 -263.589796 0.136E-03 0.387346 0.116E-02 0.007580 0.171E-04 38138.9142
|
||
|
786 -263.589806 0.136E-03 0.387418 0.116E-02 0.007582 0.171E-04 38164.9044
|
||
|
788 -263.589810 0.136E-03 0.387461 0.116E-02 0.007582 0.171E-04 38172.6911
|
||
|
789 -263.589812 0.135E-03 0.387480 0.116E-02 0.007582 0.171E-04 38178.7305
|
||
|
790 -263.589814 0.135E-03 0.387481 0.116E-02 0.007583 0.171E-04 38193.3372
|
||
|
793 -263.589822 0.135E-03 0.387556 0.115E-02 0.007584 0.170E-04 38208.4547
|
||
|
794 -263.589821 0.135E-03 0.387555 0.115E-02 0.007584 0.170E-04 38218.7110
|
||
|
795 -263.589824 0.135E-03 0.387576 0.115E-02 0.007584 0.170E-04 38227.1753
|
||
|
796 -263.589825 0.135E-03 0.387591 0.115E-02 0.007584 0.170E-04 38245.7125
|
||
|
797 -263.589821 0.134E-03 0.387552 0.115E-02 0.007584 0.170E-04 38254.1205
|
||
|
798 -263.589828 0.134E-03 0.387614 0.115E-02 0.007584 0.169E-04 38256.8174
|
||
|
799 -263.589824 0.134E-03 0.387581 0.115E-02 0.007584 0.169E-04 38278.5198
|
||
|
800 -263.589823 0.134E-03 0.387569 0.115E-02 0.007584 0.169E-04 38300.2792
|
||
|
801 -263.589817 0.134E-03 0.387516 0.115E-02 0.007583 0.169E-04 38306.8814
|
||
|
802 -263.589820 0.134E-03 0.387529 0.115E-02 0.007584 0.169E-04 38311.3623
|
||
|
803 -263.589818 0.134E-03 0.387518 0.114E-02 0.007583 0.169E-04 38323.1193
|
||
|
804 -263.589823 0.134E-03 0.387578 0.114E-02 0.007584 0.169E-04 38330.8470
|
||
|
805 -263.589829 0.134E-03 0.387637 0.114E-02 0.007584 0.168E-04 38354.7990
|
||
|
806 -263.589825 0.134E-03 0.387610 0.114E-02 0.007584 0.168E-04 38358.8984
|
||
|
807 -263.589824 0.133E-03 0.387613 0.114E-02 0.007584 0.168E-04 38365.5312
|
||
|
808 -263.589824 0.133E-03 0.387595 0.114E-02 0.007584 0.168E-04 38381.5293
|
||
|
809 -263.589817 0.131E-03 0.387540 0.112E-02 0.007583 0.165E-04 38403.1144
|
||
|
811 -263.589818 0.131E-03 0.387566 0.112E-02 0.007583 0.164E-04 38405.4482
|
||
|
813 -263.589817 0.130E-03 0.387546 0.111E-02 0.007583 0.164E-04 38409.6992
|
||
|
814 -263.589814 0.130E-03 0.387509 0.111E-02 0.007583 0.164E-04 38419.7662
|
||
|
815 -263.589809 0.130E-03 0.387474 0.111E-02 0.007582 0.164E-04 38429.1411
|
||
|
817 -263.589810 0.130E-03 0.387496 0.111E-02 0.007582 0.163E-04 38453.8750
|
||
|
819 -263.589809 0.129E-03 0.387502 0.111E-02 0.007581 0.163E-04 38458.6042
|
||
|
820 -263.589814 0.129E-03 0.387551 0.111E-02 0.007582 0.163E-04 38463.3570
|
||
|
821 -263.589819 0.129E-03 0.387586 0.111E-02 0.007583 0.163E-04 38489.0508
|
||
|
822 -263.589811 0.129E-03 0.387527 0.111E-02 0.007582 0.163E-04 38494.5697
|
||
|
823 -263.589812 0.129E-03 0.387520 0.111E-02 0.007582 0.163E-04 38504.9331
|
||
|
824 -263.589807 0.129E-03 0.387488 0.111E-02 0.007581 0.163E-04 38506.5183
|
||
|
825 -263.589803 0.129E-03 0.387449 0.110E-02 0.007581 0.163E-04 38510.6517
|
||
|
826 -263.589805 0.129E-03 0.387463 0.110E-02 0.007581 0.162E-04 38537.2533
|
||
|
829 -263.589808 0.129E-03 0.387474 0.110E-02 0.007582 0.162E-04 38541.1022
|
||
|
830 -263.589809 0.128E-03 0.387482 0.110E-02 0.007582 0.162E-04 38545.5088
|
||
|
831 -263.589812 0.128E-03 0.387509 0.110E-02 0.007582 0.162E-04 38563.6328
|
||
|
832 -263.589812 0.128E-03 0.387514 0.110E-02 0.007582 0.162E-04 38593.4507
|
||
|
833 -263.589809 0.128E-03 0.387495 0.110E-02 0.007581 0.161E-04 38605.2318
|
||
|
834 -263.589802 0.128E-03 0.387457 0.110E-02 0.007580 0.162E-04 38620.6851
|
||
|
835 -263.589808 0.128E-03 0.387504 0.109E-02 0.007581 0.161E-04 38635.8772
|
||
|
836 -263.589812 0.128E-03 0.387531 0.109E-02 0.007582 0.161E-04 38646.3888
|
||
|
837 -263.589808 0.128E-03 0.387503 0.109E-02 0.007581 0.161E-04 38648.6125
|
||
|
839 -263.589800 0.128E-03 0.387431 0.109E-02 0.007580 0.161E-04 38658.1220
|
||
|
840 -263.589797 0.128E-03 0.387413 0.109E-02 0.007580 0.161E-04 38671.9888
|
||
|
841 -263.589796 0.127E-03 0.387407 0.109E-02 0.007580 0.161E-04 38675.5379
|
||
|
842 -263.589795 0.127E-03 0.387387 0.109E-02 0.007579 0.161E-04 38680.1420
|
||
|
843 -263.589797 0.127E-03 0.387399 0.109E-02 0.007580 0.160E-04 38701.8473
|
||
|
844 -263.589798 0.127E-03 0.387401 0.109E-02 0.007580 0.160E-04 38707.5887
|
||
|
845 -263.589801 0.127E-03 0.387432 0.108E-02 0.007580 0.160E-04 38709.5368
|
||
|
846 -263.589792 0.127E-03 0.387360 0.109E-02 0.007579 0.160E-04 38728.5051
|
||
|
847 -263.589794 0.127E-03 0.387379 0.108E-02 0.007580 0.160E-04 38732.5468
|
||
|
848 -263.589794 0.127E-03 0.387385 0.108E-02 0.007579 0.160E-04 38736.7860
|
||
|
849 -263.589796 0.127E-03 0.387411 0.108E-02 0.007580 0.160E-04 38750.5597
|
||
|
850 -263.589797 0.126E-03 0.387423 0.108E-02 0.007580 0.160E-04 38755.3989
|
||
|
851 -263.589804 0.127E-03 0.387478 0.108E-02 0.007581 0.160E-04 38773.3605
|
||
|
852 -263.589798 0.127E-03 0.387423 0.108E-02 0.007580 0.160E-04 38777.7734
|
||
|
853 -263.589795 0.126E-03 0.387407 0.108E-02 0.007579 0.160E-04 38781.5887
|
||
|
854 -263.589790 0.126E-03 0.387357 0.108E-02 0.007579 0.159E-04 38787.6971
|
||
|
855 -263.589787 0.126E-03 0.387332 0.108E-02 0.007578 0.159E-04 38797.2546
|
||
|
856 -263.589787 0.126E-03 0.387343 0.108E-02 0.007578 0.159E-04 38801.9235
|
||
|
857 -263.589783 0.126E-03 0.387305 0.108E-02 0.007578 0.159E-04 38808.4101
|
||
|
858 -263.589783 0.126E-03 0.387302 0.108E-02 0.007578 0.159E-04 38813.4335
|
||
|
859 -263.589785 0.126E-03 0.387315 0.107E-02 0.007578 0.159E-04 38822.7070
|
||
|
861 -263.589776 0.126E-03 0.387247 0.107E-02 0.007577 0.158E-04 38824.6838
|
||
|
862 -263.589782 0.126E-03 0.387286 0.107E-02 0.007578 0.159E-04 38847.1818
|
||
|
863 -263.589780 0.125E-03 0.387277 0.107E-02 0.007577 0.158E-04 38849.2305
|
||
|
864 -263.589780 0.125E-03 0.387283 0.107E-02 0.007577 0.158E-04 38855.9318
|
||
|
866 -263.589779 0.125E-03 0.387268 0.107E-02 0.007577 0.158E-04 38876.2451
|
||
|
867 -263.589777 0.125E-03 0.387244 0.107E-02 0.007577 0.158E-04 38880.9521
|
||
|
868 -263.589779 0.125E-03 0.387271 0.107E-02 0.007577 0.157E-04 38883.4392
|
||
|
869 -263.589780 0.125E-03 0.387268 0.107E-02 0.007578 0.157E-04 38887.9177
|
||
|
870 -263.589782 0.125E-03 0.387280 0.106E-02 0.007578 0.157E-04 38906.0813
|
||
|
871 -263.589780 0.124E-03 0.387259 0.106E-02 0.007578 0.157E-04 38909.3085
|
||
|
872 -263.589774 0.124E-03 0.387212 0.106E-02 0.007577 0.157E-04 38933.3401
|
||
|
873 -263.589777 0.124E-03 0.387243 0.106E-02 0.007577 0.157E-04 38938.2252
|
||
|
874 -263.589783 0.124E-03 0.387286 0.106E-02 0.007578 0.157E-04 38946.1602
|
||
|
876 -263.589776 0.124E-03 0.387221 0.106E-02 0.007577 0.157E-04 38950.9257
|
||
|
877 -263.589781 0.124E-03 0.387261 0.106E-02 0.007578 0.157E-04 38956.0417
|
||
|
878 -263.589788 0.124E-03 0.387324 0.106E-02 0.007579 0.157E-04 38973.2832
|
||
|
879 -263.589796 0.124E-03 0.387398 0.106E-02 0.007580 0.157E-04 38986.1315
|
||
|
880 -263.589803 0.124E-03 0.387446 0.106E-02 0.007581 0.157E-04 39001.0280
|
||
|
881 -263.589801 0.124E-03 0.387435 0.106E-02 0.007580 0.157E-04 39003.3003
|
||
|
882 -263.589802 0.124E-03 0.387435 0.106E-02 0.007581 0.157E-04 39006.7295
|
||
|
883 -263.589805 0.124E-03 0.387470 0.106E-02 0.007581 0.156E-04 39030.7944
|
||
|
884 -263.589803 0.124E-03 0.387457 0.106E-02 0.007581 0.156E-04 39042.1795
|
||
|
885 -263.589805 0.124E-03 0.387474 0.106E-02 0.007581 0.156E-04 39060.9021
|
||
|
886 -263.589793 0.122E-03 0.387371 0.104E-02 0.007579 0.154E-04 39064.9022
|
||
|
887 -263.589795 0.122E-03 0.387389 0.104E-02 0.007580 0.153E-04 39079.8289
|
||
|
888 -263.589797 0.122E-03 0.387402 0.104E-02 0.007580 0.153E-04 39092.2230
|
||
|
889 -263.589794 0.121E-03 0.387384 0.104E-02 0.007580 0.153E-04 39109.4785
|
||
|
890 -263.589791 0.121E-03 0.387357 0.104E-02 0.007579 0.153E-04 39115.5919
|
||
|
891 -263.589786 0.121E-03 0.387314 0.104E-02 0.007579 0.153E-04 39129.8821
|
||
|
892 -263.589787 0.121E-03 0.387340 0.104E-02 0.007578 0.153E-04 39145.6782
|
||
|
893 -263.589782 0.121E-03 0.387300 0.104E-02 0.007578 0.153E-04 39154.2158
|
||
|
894 -263.589785 0.121E-03 0.387313 0.104E-02 0.007578 0.153E-04 39168.5388
|
||
|
895 -263.589783 0.121E-03 0.387298 0.104E-02 0.007578 0.152E-04 39179.1720
|
||
|
896 -263.589790 0.121E-03 0.387357 0.104E-02 0.007579 0.153E-04 39195.2115
|
||
|
897 -263.589785 0.121E-03 0.387329 0.104E-02 0.007578 0.153E-04 39203.5224
|
||
|
898 -263.589779 0.121E-03 0.387278 0.104E-02 0.007577 0.153E-04 39208.0665
|
||
|
899 -263.589775 0.121E-03 0.387244 0.103E-02 0.007577 0.152E-04 39218.8317
|
||
|
900 -263.589779 0.121E-03 0.387271 0.103E-02 0.007577 0.152E-04 39229.3927
|
||
|
901 -263.589775 0.121E-03 0.387234 0.103E-02 0.007577 0.152E-04 39241.7972
|
||
|
902 -263.589778 0.121E-03 0.387251 0.103E-02 0.007577 0.152E-04 39254.9634
|
||
|
903 -263.589782 0.121E-03 0.387282 0.103E-02 0.007578 0.152E-04 39265.0513
|
||
|
904 -263.589782 0.120E-03 0.387274 0.103E-02 0.007578 0.152E-04 39280.9209
|
||
|
905 -263.589785 0.120E-03 0.387302 0.103E-02 0.007579 0.152E-04 39290.9818
|
||
|
906 -263.589784 0.120E-03 0.387292 0.103E-02 0.007578 0.152E-04 39306.7257
|
||
|
907 -263.589785 0.120E-03 0.387311 0.103E-02 0.007578 0.152E-04 39311.9672
|
||
|
908 -263.589784 0.120E-03 0.387306 0.103E-02 0.007578 0.151E-04 39313.7115
|
||
|
909 -263.589777 0.120E-03 0.387249 0.103E-02 0.007577 0.151E-04 39319.3643
|
||
|
910 -263.589777 0.120E-03 0.387252 0.103E-02 0.007577 0.151E-04 39333.2301
|
||
|
912 -263.589778 0.120E-03 0.387246 0.102E-02 0.007577 0.151E-04 39343.8452
|
||
|
913 -263.589784 0.120E-03 0.387287 0.102E-02 0.007578 0.151E-04 39345.7422
|
||
|
914 -263.589776 0.120E-03 0.387220 0.102E-02 0.007577 0.151E-04 39359.8599
|
||
|
916 -263.589785 0.120E-03 0.387286 0.102E-02 0.007579 0.151E-04 39367.0038
|
||
|
917 -263.589788 0.120E-03 0.387300 0.102E-02 0.007579 0.151E-04 39371.7322
|
||
|
918 -263.589789 0.120E-03 0.387302 0.102E-02 0.007579 0.151E-04 39390.9586
|
||
|
919 -263.589795 0.120E-03 0.387345 0.102E-02 0.007580 0.151E-04 39410.0275
|
||
|
920 -263.589796 0.120E-03 0.387359 0.102E-02 0.007580 0.151E-04 39416.4721
|
||
|
921 -263.589792 0.120E-03 0.387324 0.102E-02 0.007580 0.151E-04 39427.6002
|
||
|
922 -263.589794 0.119E-03 0.387336 0.102E-02 0.007580 0.151E-04 39435.3713
|
||
|
923 -263.589796 0.119E-03 0.387361 0.102E-02 0.007580 0.151E-04 39443.6547
|
||
|
924 -263.589803 0.119E-03 0.387403 0.102E-02 0.007581 0.151E-04 39445.2392
|
||
|
925 -263.589794 0.120E-03 0.387332 0.102E-02 0.007580 0.151E-04 39459.3126
|
||
|
927 -263.589794 0.119E-03 0.387342 0.102E-02 0.007580 0.151E-04 39465.8231
|
||
|
928 -263.589793 0.119E-03 0.387330 0.102E-02 0.007580 0.151E-04 39467.2842
|
||
|
929 -263.589795 0.119E-03 0.387348 0.102E-02 0.007580 0.150E-04 39485.5512
|
||
|
930 -263.589795 0.119E-03 0.387357 0.102E-02 0.007580 0.150E-04 39490.7562
|
||
|
931 -263.589796 0.119E-03 0.387357 0.101E-02 0.007580 0.150E-04 39498.3328
|
||
|
932 -263.589790 0.119E-03 0.387302 0.101E-02 0.007579 0.150E-04 39512.2329
|
||
|
933 -263.589791 0.119E-03 0.387319 0.101E-02 0.007580 0.150E-04 39517.8536
|
||
|
934 -263.589799 0.119E-03 0.387382 0.101E-02 0.007581 0.150E-04 39522.0809
|
||
|
935 -263.589803 0.119E-03 0.387415 0.101E-02 0.007581 0.150E-04 39543.0835
|
||
|
936 -263.589799 0.119E-03 0.387391 0.101E-02 0.007580 0.150E-04 39564.1119
|
||
|
937 -263.589796 0.119E-03 0.387363 0.101E-02 0.007580 0.150E-04 39579.4777
|
||
|
938 -263.589794 0.119E-03 0.387335 0.101E-02 0.007580 0.150E-04 39587.6987
|
||
|
939 -263.589787 0.119E-03 0.387272 0.101E-02 0.007579 0.150E-04 39597.2276
|
||
|
941 -263.589792 0.118E-03 0.387318 0.101E-02 0.007580 0.150E-04 39602.3506
|
||
|
942 -263.589796 0.118E-03 0.387361 0.101E-02 0.007580 0.150E-04 39614.1369
|
||
|
943 -263.589794 0.118E-03 0.387337 0.101E-02 0.007580 0.149E-04 39620.7323
|
||
|
945 -263.589796 0.118E-03 0.387349 0.101E-02 0.007580 0.149E-04 39642.6732
|
||
|
946 -263.589792 0.118E-03 0.387313 0.101E-02 0.007580 0.149E-04 39651.2211
|
||
|
947 -263.589788 0.118E-03 0.387276 0.101E-02 0.007579 0.149E-04 39663.5059
|
||
|
948 -263.589789 0.118E-03 0.387272 0.101E-02 0.007580 0.149E-04 39675.9029
|
||
|
949 -263.589787 0.118E-03 0.387256 0.101E-02 0.007579 0.149E-04 39683.8481
|
||
|
950 -263.589783 0.118E-03 0.387223 0.101E-02 0.007579 0.149E-04 39692.4754
|
||
|
951 -263.589790 0.118E-03 0.387292 0.101E-02 0.007580 0.149E-04 39707.7825
|
||
|
952 -263.589791 0.118E-03 0.387304 0.101E-02 0.007580 0.149E-04 39717.0623
|
||
|
954 -263.589796 0.118E-03 0.387370 0.101E-02 0.007580 0.148E-04 39724.1409
|
||
|
955 -263.589804 0.118E-03 0.387440 0.101E-02 0.007581 0.148E-04 39743.3424
|
||
|
956 -263.589806 0.118E-03 0.387452 0.101E-02 0.007581 0.148E-04 39744.9701
|
||
|
957 -263.589808 0.117E-03 0.387475 0.100E-02 0.007581 0.148E-04 39750.7475
|
||
|
958 -263.589806 0.117E-03 0.387462 0.100E-02 0.007581 0.148E-04 39769.3534
|
||
|
959 -263.589809 0.117E-03 0.387487 0.100E-02 0.007581 0.148E-04 39780.2395
|
||
|
960 -263.589812 0.117E-03 0.387508 0.100E-02 0.007582 0.148E-04 39781.6558
|
||
|
961 -263.589817 0.117E-03 0.387551 0.100E-02 0.007583 0.148E-04 39795.3377
|
||
|
962 -263.589811 0.117E-03 0.387505 0.100E-02 0.007582 0.148E-04 39808.4873
|
||
|
964 -263.589806 0.117E-03 0.387461 0.100E-02 0.007581 0.148E-04 39821.6440
|
||
|
965 -263.589807 0.117E-03 0.387476 0.100E-02 0.007581 0.147E-04 39827.9356
|
||
|
966 -263.589811 0.117E-03 0.387516 0.100E-02 0.007582 0.147E-04 39849.2226
|
||
|
967 -263.589816 0.117E-03 0.387550 0.999E-03 0.007582 0.147E-04 39854.3628
|
||
|
968 -263.589818 0.117E-03 0.387572 0.998E-03 0.007582 0.147E-04 39861.5324
|
||
|
969 -263.589815 0.117E-03 0.387550 0.998E-03 0.007582 0.147E-04 39873.9500
|
||
|
971 -263.589808 0.117E-03 0.387486 0.997E-03 0.007581 0.147E-04 39888.5417
|
||
|
973 -263.589816 0.117E-03 0.387573 0.997E-03 0.007582 0.147E-04 39899.9770
|
||
|
974 -263.589823 0.117E-03 0.387620 0.997E-03 0.007583 0.147E-04 39925.4724
|
||
|
975 -263.589825 0.116E-03 0.387633 0.996E-03 0.007583 0.147E-04 39929.8899
|
||
|
979 -263.589825 0.116E-03 0.387614 0.994E-03 0.007584 0.147E-04 39956.4514
|
||
|
981 -263.589838 0.115E-03 0.387718 0.985E-03 0.007586 0.145E-04 39962.3826
|
||
|
982 -263.589837 0.115E-03 0.387702 0.984E-03 0.007586 0.145E-04 39970.4591
|
||
|
983 -263.589836 0.115E-03 0.387698 0.983E-03 0.007585 0.145E-04 39981.8716
|
||
|
984 -263.589840 0.115E-03 0.387726 0.983E-03 0.007586 0.145E-04 39989.5863
|
||
|
985 -263.589839 0.115E-03 0.387719 0.982E-03 0.007586 0.145E-04 40008.3659
|
||
|
986 -263.589836 0.115E-03 0.387693 0.981E-03 0.007585 0.145E-04 40015.1005
|
||
|
987 -263.589832 0.115E-03 0.387671 0.980E-03 0.007585 0.145E-04 40035.2500
|
||
|
988 -263.589827 0.115E-03 0.387626 0.980E-03 0.007584 0.145E-04 40041.2328
|
||
|
989 -263.589824 0.115E-03 0.387594 0.980E-03 0.007584 0.145E-04 40046.7497
|
||
|
990 -263.589824 0.114E-03 0.387593 0.979E-03 0.007584 0.145E-04 40049.1745
|
||
|
991 -263.589832 0.115E-03 0.387665 0.981E-03 0.007585 0.145E-04 40060.1300
|
||
|
993 -263.589837 0.114E-03 0.387700 0.979E-03 0.007586 0.145E-04 40062.8606
|
||
|
994 -263.589836 0.114E-03 0.387700 0.978E-03 0.007586 0.144E-04 40067.4751
|
||
|
995 -263.589834 0.114E-03 0.387679 0.977E-03 0.007585 0.144E-04 40087.6070
|
||
|
996 -263.589833 0.114E-03 0.387664 0.976E-03 0.007585 0.144E-04 40094.8095
|
||
|
997 -263.589835 0.114E-03 0.387685 0.976E-03 0.007585 0.144E-04 40099.9134
|
||
|
998 -263.589836 0.114E-03 0.387710 0.975E-03 0.007585 0.144E-04 40114.1863
|
||
|
999 -263.589836 0.114E-03 0.387711 0.974E-03 0.007585 0.144E-04 40117.0846
|
||
|
1000 -263.589831 0.114E-03 0.387672 0.974E-03 0.007585 0.144E-04 40120.7021
|
||
|
1001 -263.589829 0.114E-03 0.387651 0.973E-03 0.007584 0.144E-04 40126.8886
|
||
|
1002 -263.589826 0.114E-03 0.387629 0.972E-03 0.007584 0.143E-04 40143.7091
|
||
|
1004 -263.589828 0.113E-03 0.387635 0.970E-03 0.007584 0.143E-04 40153.7070
|
||
|
1005 -263.589820 0.114E-03 0.387566 0.972E-03 0.007583 0.143E-04 40168.9204
|
||
|
1007 -263.589828 0.114E-03 0.387629 0.971E-03 0.007584 0.143E-04 40172.0682
|
||
|
1008 -263.589829 0.113E-03 0.387645 0.970E-03 0.007585 0.143E-04 40181.0657
|
||
|
1009 -263.589822 0.114E-03 0.387583 0.971E-03 0.007584 0.143E-04 40185.4195
|
||
|
1010 -263.589825 0.113E-03 0.387599 0.971E-03 0.007584 0.143E-04 40194.8544
|
||
|
1011 -263.589823 0.113E-03 0.387579 0.970E-03 0.007584 0.143E-04 40197.7758
|
||
|
1012 -263.589821 0.113E-03 0.387558 0.969E-03 0.007584 0.143E-04 40205.1309
|
||
|
1013 -263.589819 0.113E-03 0.387531 0.968E-03 0.007584 0.143E-04 40219.9230
|
||
|
1015 -263.589817 0.113E-03 0.387515 0.967E-03 0.007583 0.143E-04 40224.5256
|
||
|
1016 -263.589823 0.113E-03 0.387569 0.967E-03 0.007584 0.143E-04 40230.9987
|
||
|
1017 -263.589819 0.113E-03 0.387539 0.967E-03 0.007584 0.143E-04 40233.8396
|
||
|
1018 -263.589813 0.113E-03 0.387491 0.967E-03 0.007583 0.143E-04 40246.4513
|
||
|
1019 -263.589810 0.113E-03 0.387454 0.967E-03 0.007582 0.142E-04 40252.2940
|
||
|
1020 -263.589809 0.113E-03 0.387446 0.966E-03 0.007582 0.142E-04 40256.9080
|
||
|
1021 -263.589810 0.113E-03 0.387458 0.965E-03 0.007582 0.142E-04 40275.5114
|
||
|
1022 -263.589812 0.113E-03 0.387492 0.965E-03 0.007583 0.142E-04 40279.9375
|
||
|
1023 -263.589808 0.113E-03 0.387462 0.964E-03 0.007582 0.142E-04 40297.2662
|
||
|
1024 -263.589813 0.113E-03 0.387510 0.964E-03 0.007582 0.142E-04 40299.2501
|
||
|
1025 -263.589810 0.113E-03 0.387486 0.964E-03 0.007582 0.142E-04 40301.7567
|
||
|
1026 -263.589806 0.113E-03 0.387451 0.963E-03 0.007582 0.142E-04 40313.3813
|
||
|
1027 -263.589799 0.113E-03 0.387396 0.964E-03 0.007581 0.142E-04 40327.5714
|
||
|
1028 -263.589799 0.113E-03 0.387391 0.963E-03 0.007581 0.142E-04 40329.6167
|
||
|
1029 -263.589800 0.112E-03 0.387408 0.962E-03 0.007581 0.142E-04 40336.0254
|
||
|
1030 -263.589805 0.112E-03 0.387446 0.962E-03 0.007581 0.142E-04 40348.5776
|
||
|
1032 -263.589797 0.112E-03 0.387385 0.962E-03 0.007580 0.142E-04 40355.7250
|
||
|
1033 -263.589794 0.112E-03 0.387358 0.962E-03 0.007580 0.142E-04 40359.8590
|
||
|
1034 -263.589792 0.112E-03 0.387338 0.961E-03 0.007580 0.142E-04 40373.2433
|
||
|
1036 -263.589801 0.112E-03 0.387414 0.961E-03 0.007581 0.142E-04 40378.9472
|
||
|
1038 -263.589793 0.112E-03 0.387332 0.961E-03 0.007580 0.142E-04 40381.2864
|
||
|
1039 -263.589791 0.112E-03 0.387312 0.960E-03 0.007580 0.142E-04 40386.7940
|
||
|
1040 -263.589788 0.112E-03 0.387297 0.960E-03 0.007579 0.141E-04 40399.3254
|
||
|
1041 -263.589797 0.112E-03 0.387366 0.961E-03 0.007581 0.142E-04 40400.3492
|
||
|
1042 -263.589798 0.112E-03 0.387377 0.960E-03 0.007581 0.142E-04 40424.1820
|
||
|
1043 -263.589793 0.112E-03 0.387330 0.961E-03 0.007580 0.142E-04 40428.4359
|
||
|
1044 -263.589793 0.112E-03 0.387340 0.960E-03 0.007580 0.141E-04 40432.5821
|
||
|
1045 -263.589796 0.112E-03 0.387372 0.959E-03 0.007580 0.141E-04 40438.5401
|
||
|
1046 -263.589794 0.112E-03 0.387350 0.959E-03 0.007580 0.141E-04 40450.5713
|
||
|
1047 -263.589802 0.112E-03 0.387397 0.959E-03 0.007581 0.142E-04 40461.3511
|
||
|
1048 -263.589803 0.112E-03 0.387408 0.958E-03 0.007581 0.141E-04 40462.6755
|
||
|
1049 -263.589799 0.112E-03 0.387376 0.958E-03 0.007581 0.141E-04 40482.2997
|
||
|
1052 -263.589793 0.112E-03 0.387320 0.955E-03 0.007580 0.141E-04 40487.5439
|
||
|
1053 -263.589792 0.112E-03 0.387316 0.955E-03 0.007580 0.141E-04 40494.5462
|
||
|
1054 -263.589789 0.112E-03 0.387289 0.954E-03 0.007580 0.141E-04 40508.4743
|
||
|
1055 -263.589787 0.111E-03 0.387272 0.953E-03 0.007580 0.141E-04 40509.7336
|
||
|
1056 -263.589786 0.111E-03 0.387261 0.952E-03 0.007580 0.141E-04 40516.8934
|
||
|
1057 -263.589786 0.111E-03 0.387263 0.952E-03 0.007580 0.140E-04 40524.4215
|
||
|
1058 -263.589781 0.111E-03 0.387225 0.951E-03 0.007579 0.140E-04 40533.4718
|
||
|
1059 -263.589780 0.111E-03 0.387204 0.951E-03 0.007579 0.140E-04 40535.8712
|
||
|
1060 -263.589778 0.111E-03 0.387181 0.950E-03 0.007579 0.140E-04 40544.4498
|
||
|
1061 -263.589774 0.111E-03 0.387150 0.950E-03 0.007578 0.140E-04 40558.7834
|
||
|
1062 -263.589770 0.111E-03 0.387119 0.949E-03 0.007578 0.140E-04 40562.5688
|
||
|
1063 -263.589767 0.111E-03 0.387092 0.949E-03 0.007577 0.140E-04 40566.2845
|
||
|
1064 -263.589763 0.111E-03 0.387057 0.949E-03 0.007577 0.140E-04 40585.5535
|
||
|
1066 -263.589785 0.112E-03 0.387228 0.954E-03 0.007580 0.141E-04 40592.2836
|
||
|
1067 -263.589793 0.112E-03 0.387302 0.956E-03 0.007580 0.141E-04 40613.3120
|
||
|
1068 -263.589794 0.112E-03 0.387319 0.956E-03 0.007581 0.141E-04 40620.2322
|
||
|
1070 -263.589804 0.112E-03 0.387381 0.959E-03 0.007582 0.142E-04 40639.7088
|
||
|
1071 -263.589804 0.112E-03 0.387377 0.958E-03 0.007582 0.142E-04 40641.3537
|
||
|
1072 -263.589806 0.112E-03 0.387386 0.958E-03 0.007583 0.142E-04 40668.9469
|
||
|
1074 -263.589802 0.112E-03 0.387346 0.956E-03 0.007582 0.141E-04 40678.4795
|
||
|
1075 -263.589809 0.112E-03 0.387405 0.957E-03 0.007583 0.141E-04 40684.6762
|
||
|
1076 -263.589811 0.112E-03 0.387413 0.956E-03 0.007583 0.141E-04 40695.7548
|
||
|
1077 -263.589809 0.112E-03 0.387393 0.956E-03 0.007583 0.141E-04 40703.6651
|
||
|
1078 -263.589808 0.112E-03 0.387388 0.955E-03 0.007583 0.141E-04 40720.1870
|
||
|
1079 -263.589813 0.112E-03 0.387439 0.955E-03 0.007583 0.141E-04 40725.8661
|
||
|
1080 -263.589809 0.112E-03 0.387407 0.955E-03 0.007583 0.141E-04 40745.3480
|
||
|
1082 -263.589807 0.112E-03 0.387400 0.954E-03 0.007583 0.141E-04 40751.6279
|
||
|
1083 -263.589814 0.112E-03 0.387453 0.954E-03 0.007584 0.141E-04 40752.8939
|
||
|
1084 -263.589815 0.112E-03 0.387453 0.953E-03 0.007584 0.141E-04 40758.5163
|
||
|
1085 -263.589814 0.112E-03 0.387453 0.952E-03 0.007584 0.141E-04 40771.5740
|
||
|
1087 -263.589827 0.112E-03 0.387561 0.954E-03 0.007585 0.141E-04 40776.2258
|
||
|
1088 -263.589827 0.112E-03 0.387577 0.953E-03 0.007585 0.141E-04 40781.0355
|
||
|
1089 -263.589826 0.112E-03 0.387566 0.953E-03 0.007585 0.141E-04 40799.5278
|
||
|
1090 -263.589822 0.112E-03 0.387543 0.952E-03 0.007584 0.141E-04 40804.4727
|
||
|
1091 -263.589827 0.112E-03 0.387596 0.953E-03 0.007585 0.141E-04 40821.8430
|
||
|
1092 -263.589828 0.111E-03 0.387602 0.952E-03 0.007585 0.141E-04 40828.7063
|
||
|
1093 -263.589822 0.112E-03 0.387552 0.952E-03 0.007584 0.141E-04 40830.9072
|
||
|
1094 -263.589819 0.111E-03 0.387528 0.952E-03 0.007584 0.141E-04 40835.5228
|
||
|
1095 -263.589821 0.111E-03 0.387540 0.951E-03 0.007584 0.141E-04 40847.9378
|
||
|
1096 -263.589826 0.111E-03 0.387586 0.951E-03 0.007585 0.140E-04 40857.6810
|
||
|
1097 -263.589828 0.111E-03 0.387610 0.951E-03 0.007585 0.140E-04 40872.6702
|
||
|
1098 -263.589831 0.111E-03 0.387653 0.951E-03 0.007585 0.140E-04 40874.3993
|
||
|
1099 -263.589836 0.111E-03 0.387690 0.951E-03 0.007586 0.140E-04 40881.8544
|
||
|
1101 -263.589831 0.111E-03 0.387650 0.949E-03 0.007585 0.140E-04 40888.0703
|
||
|
1102 -263.589832 0.111E-03 0.387665 0.949E-03 0.007585 0.140E-04 40897.6394
|
||
|
1103 -263.589829 0.111E-03 0.387636 0.948E-03 0.007585 0.140E-04 40903.2430
|
||
|
1104 -263.589829 0.111E-03 0.387641 0.947E-03 0.007585 0.140E-04 40905.3231
|
||
|
1105 -263.589828 0.111E-03 0.387632 0.946E-03 0.007585 0.140E-04 40913.2934
|
||
|
1106 -263.589826 0.111E-03 0.387615 0.946E-03 0.007584 0.139E-04 40923.3550
|
||
|
1107 -263.589824 0.111E-03 0.387591 0.945E-03 0.007584 0.139E-04 40928.1612
|
||
|
1108 -263.589822 0.110E-03 0.387578 0.944E-03 0.007584 0.139E-04 40933.0527
|
||
|
1109 -263.589829 0.111E-03 0.387618 0.944E-03 0.007585 0.140E-04 40938.6914
|
||
|
1110 -263.589827 0.111E-03 0.387604 0.944E-03 0.007585 0.140E-04 40949.7445
|
||
|
1112 -263.589821 0.110E-03 0.387551 0.943E-03 0.007584 0.139E-04 40958.4624
|
||
|
1113 -263.589829 0.111E-03 0.387622 0.945E-03 0.007585 0.140E-04 40962.6465
|
||
|
1114 -263.589830 0.111E-03 0.387629 0.944E-03 0.007585 0.140E-04 40973.6693
|
||
|
1116 -263.589836 0.110E-03 0.387682 0.943E-03 0.007586 0.139E-04 40980.3759
|
||
|
1117 -263.589841 0.110E-03 0.387728 0.943E-03 0.007586 0.139E-04 40999.1311
|
||
|
1118 -263.589839 0.110E-03 0.387717 0.942E-03 0.007586 0.139E-04 41001.2242
|
||
|
1119 -263.589839 0.110E-03 0.387726 0.942E-03 0.007586 0.139E-04 41015.4200
|
||
|
1120 -263.589838 0.110E-03 0.387716 0.941E-03 0.007586 0.139E-04 41024.4928
|
||
|
1122 -263.589831 0.110E-03 0.387654 0.941E-03 0.007585 0.139E-04 41036.2023
|
||
|
1123 -263.589828 0.110E-03 0.387631 0.940E-03 0.007585 0.139E-04 41050.4756
|
||
|
1125 -263.589832 0.110E-03 0.387664 0.939E-03 0.007585 0.139E-04 41051.7524
|
||
|
1126 -263.589829 0.110E-03 0.387636 0.939E-03 0.007585 0.139E-04 41077.1652
|
||
|
1127 -263.589831 0.110E-03 0.387661 0.938E-03 0.007585 0.139E-04 41084.2624
|
||
|
1128 -263.589827 0.110E-03 0.387625 0.938E-03 0.007584 0.139E-04 41102.6129
|
||
|
1131 -263.589823 0.110E-03 0.387579 0.937E-03 0.007584 0.138E-04 41107.8141
|
||
|
1132 -263.589822 0.110E-03 0.387572 0.936E-03 0.007584 0.138E-04 41113.3886
|
||
|
1133 -263.589816 0.110E-03 0.387522 0.936E-03 0.007583 0.138E-04 41128.8013
|
||
|
1135 -263.589813 0.110E-03 0.387496 0.935E-03 0.007583 0.138E-04 41130.2537
|
||
|
1136 -263.589818 0.110E-03 0.387530 0.935E-03 0.007583 0.138E-04 41133.5486
|
||
|
1137 -263.589819 0.109E-03 0.387543 0.935E-03 0.007584 0.138E-04 41137.9439
|
||
|
1138 -263.589819 0.109E-03 0.387538 0.934E-03 0.007584 0.138E-04 41157.1391
|
||
|
1141 -263.589822 0.109E-03 0.387570 0.931E-03 0.007584 0.138E-04 41169.4204
|
||
|
1142 -263.589819 0.109E-03 0.387543 0.931E-03 0.007584 0.138E-04 41189.4514
|
||
|
1145 -263.589815 0.109E-03 0.387504 0.930E-03 0.007583 0.138E-04 41195.8541
|
||
|
1146 -263.589812 0.109E-03 0.387487 0.929E-03 0.007583 0.138E-04 41198.8670
|
||
|
1147 -263.589811 0.109E-03 0.387477 0.928E-03 0.007583 0.137E-04 41215.2310
|
||
|
1148 -263.589810 0.109E-03 0.387468 0.928E-03 0.007583 0.137E-04 41217.2315
|
||
|
1149 -263.589815 0.109E-03 0.387511 0.928E-03 0.007583 0.137E-04 41228.8387
|
||
|
1150 -263.589814 0.109E-03 0.387503 0.927E-03 0.007583 0.137E-04 41245.3763
|
||
|
1152 -263.589811 0.108E-03 0.387492 0.926E-03 0.007583 0.137E-04 41250.0834
|
||
|
1153 -263.589811 0.108E-03 0.387492 0.925E-03 0.007582 0.137E-04 41255.1181
|
||
|
1154 -263.589808 0.108E-03 0.387467 0.924E-03 0.007582 0.137E-04 41259.9676
|
||
|
1155 -263.589805 0.108E-03 0.387448 0.924E-03 0.007582 0.137E-04 41271.6752
|
||
|
1156 -263.589805 0.108E-03 0.387444 0.923E-03 0.007582 0.137E-04 41275.2280
|
||
|
1157 -263.589804 0.108E-03 0.387426 0.922E-03 0.007582 0.137E-04 41280.3850
|
||
|
1158 -263.589804 0.108E-03 0.387439 0.922E-03 0.007582 0.136E-04 41284.6459
|
||
|
1159 -263.589808 0.108E-03 0.387456 0.921E-03 0.007582 0.136E-04 41298.3489
|
||
|
1161 -263.589806 0.108E-03 0.387445 0.920E-03 0.007582 0.136E-04 41302.2968
|
||
|
1162 -263.589810 0.108E-03 0.387477 0.920E-03 0.007583 0.136E-04 41308.6900
|
||
|
1163 -263.589811 0.108E-03 0.387480 0.919E-03 0.007583 0.136E-04 41324.2154
|
||
|
1164 -263.589813 0.108E-03 0.387499 0.918E-03 0.007583 0.136E-04 41327.8942
|
||
|
1165 -263.589809 0.108E-03 0.387473 0.918E-03 0.007582 0.136E-04 41350.4555
|
||
|
1167 -263.589810 0.107E-03 0.387486 0.916E-03 0.007582 0.136E-04 41357.8413
|
||
|
1168 -263.589809 0.107E-03 0.387479 0.916E-03 0.007582 0.136E-04 41363.0588
|
||
|
1169 -263.589806 0.107E-03 0.387450 0.915E-03 0.007582 0.136E-04 41377.5544
|
||
|
1171 -263.589799 0.107E-03 0.387388 0.915E-03 0.007581 0.136E-04 41387.8749
|
||
|
1173 -263.589783 0.105E-03 0.387239 0.897E-03 0.007579 0.132E-04 41394.9699
|
||
|
1174 -263.589788 0.105E-03 0.387280 0.897E-03 0.007580 0.132E-04 41404.5295
|
||
|
1175 -263.589783 0.105E-03 0.387239 0.897E-03 0.007579 0.132E-04 41406.0027
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
7.579271568026126E-003
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 7.832947 GB ] [ VIRT MEM : 17.822418 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 113568.272280 s ] [ CPU TIME: 7869337.824702 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 5242876
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 7.910950 GB ] [ VIRT MEM : 17.901527 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 113568.388662 s ] [ CPU TIME: 7869337.940332 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 5242876
|
||
|
* pt2_n_tasks_max 525
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.9401363233735087
|
||
|
|
||
|
Summary at N_det = 5242880
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.53696110
|
||
|
# PT2 -0.05282193 0.00010490
|
||
|
# rPT2 -0.05242459 0.00010411
|
||
|
#
|
||
|
# E+PT2 -263.58978304 0.00010490
|
||
|
# E+rPT2 -263.58938570 0.00010411
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 5242880
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 3.768300236424323E-003
|
||
|
E = -263.536961104218
|
||
|
Variance = 0.387239498061084 +/- 8.971260141695421E-004
|
||
|
PT norm = 8.705901198627358E-002 +/- 7.600562465106731E-005
|
||
|
PT2 = -5.282193113379332E-002 +/- 1.048968091038874E-004
|
||
|
rPT2 = -5.242459092235015E-002 +/- 1.041077482078841E-004
|
||
|
E+PT2 = -263.589783035352 +/- 1.048968091038874E-004
|
||
|
E+rPT2 = -263.589385695141 +/- 1.041077482078841E-004
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.61828795672
|
||
|
Vee = 296.488725043625
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.341061588430
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.0602 -263.61553362
|
||
|
-0.0691 -263.61305936
|
||
|
-0.0788 -263.61241112
|
||
|
-0.0896 -263.61166387
|
||
|
-0.1016 -263.61145867
|
||
|
-0.1155 -263.61114701
|
||
|
-0.1329 -263.61026292
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 638634
|
||
|
* Number of unique beta determinants 638664
|
||
|
|
||
|
.. >>>>> [ RES MEM : 9.853016 GB ] [ VIRT MEM : 20.016872 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 125054.546300 s ] [ CPU TIME: 7882234.588841 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 10485760
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 18.03994876518846
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.5369611042 0.003768 0.163E-02
|
||
|
1 -263.5473009724 0.003334 0.154E-03
|
||
|
2 -263.5475170701 0.003362 0.123E-04
|
||
|
3 -263.5475474217 0.003383 0.155E-05
|
||
|
4 -263.5475532379 0.003379 0.355E-06
|
||
|
5 -263.5475547088 0.003372 0.841E-07
|
||
|
6 -263.5475550406 0.003367 0.205E-07
|
||
|
7 -263.5475551261 0.003366 0.579E-08
|
||
|
8 -263.5475551479 0.003365 0.143E-08
|
||
|
9 -263.5475551535 0.003364 0.353E-09
|
||
|
10 -263.5475551548 0.003364 0.800E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 19.936176 GB ] [ VIRT MEM : 31.829655 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 169298.574867 s ] [ CPU TIME: 7932725.245306 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 8.998703 GB ] [ VIRT MEM : 19.015186 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 169299.773338 s ] [ CPU TIME: 7932729.684999 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.5475551547548
|
||
|
* S^2 of state 1 0.3364337174796352E-02
|
||
|
* Saved determinants 10485760
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 8.979572 GB ] [ VIRT MEM : 19.005417 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 169369.659108 s ] [ CPU TIME: 7933208.947866 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 10485740
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 9.221920 GB ] [ VIRT MEM : 19.603432 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 169375.203111 s ] [ CPU TIME: 7933374.685419 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 10485740
|
||
|
* pt2_n_tasks_max 870
|
||
|
* PT2 Energy denominator -263.5475551547548
|
||
|
|
||
|
.. >>>>> [ RES MEM : 10.628468 GB ] [ VIRT MEM : 21.014404 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 169382.034963 s ] [ CPU TIME: 7933983.840104 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 10485740
|
||
|
* Number of comb teeth 100
|
||
|
|
||
|
.. >>>>> [ RES MEM : 10.628468 GB ] [ VIRT MEM : 21.014404 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 169382.173401 s ] [ CPU TIME: 7933983.978411 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 10485740
|
||
|
* pt2_n_tasks_max 870
|
||
|
* Number of tasks 11176223
|
||
|
* Number of fragmented tasks 11955
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 59.15755902901292
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.593578 0.785E-03 0.347507 0.900E-02 0.006419 0.922E-04 1060.7587
|
||
|
4 -263.592616 0.118E-02 0.337457 0.126E-01 0.006325 0.120E-03 1239.9276
|
||
|
5 -263.591779 0.126E-02 0.330169 0.123E-01 0.006229 0.137E-03 1410.1160
|
||
|
6 -263.591681 0.102E-02 0.329765 0.987E-02 0.006208 0.113E-03 1574.7374
|
||
|
7 -263.591055 0.108E-02 0.324595 0.987E-02 0.006130 0.125E-03 1677.9704
|
||
|
8 -263.590579 0.105E-02 0.320247 0.961E-02 0.006075 0.121E-03 1837.6158
|
||
|
9 -263.591538 0.136E-02 0.328627 0.121E-01 0.006185 0.156E-03 1991.8608
|
||
|
10 -263.592361 0.148E-02 0.335384 0.129E-01 0.006287 0.174E-03 2026.8370
|
||
|
11 -263.592190 0.135E-02 0.333493 0.118E-01 0.006275 0.157E-03 2048.8205
|
||
|
12 -263.592595 0.129E-02 0.336996 0.113E-01 0.006324 0.153E-03 2136.8235
|
||
|
13 -263.592320 0.122E-02 0.335223 0.105E-01 0.006283 0.146E-03 2167.4912
|
||
|
14 -263.592791 0.122E-02 0.339826 0.108E-01 0.006328 0.143E-03 2245.2431
|
||
|
15 -263.592466 0.119E-02 0.336480 0.106E-01 0.006299 0.136E-03 2312.1128
|
||
|
16 -263.592436 0.111E-02 0.336422 0.988E-02 0.006290 0.128E-03 2317.2313
|
||
|
17 -263.592924 0.115E-02 0.340820 0.103E-01 0.006350 0.134E-03 2341.0902
|
||
|
18 -263.592831 0.109E-02 0.339724 0.976E-02 0.006343 0.127E-03 2397.7282
|
||
|
19 -263.592875 0.103E-02 0.340249 0.924E-02 0.006344 0.120E-03 2518.4571
|
||
|
20 -263.592853 0.971E-03 0.339733 0.872E-02 0.006346 0.113E-03 2625.4009
|
||
|
21 -263.592869 0.923E-03 0.340081 0.830E-02 0.006344 0.108E-03 2639.5683
|
||
|
22 -263.592944 0.883E-03 0.340893 0.795E-02 0.006351 0.103E-03 2685.4943
|
||
|
23 -263.593155 0.865E-03 0.342853 0.780E-02 0.006375 0.100E-03 2720.4883
|
||
|
24 -263.592866 0.877E-03 0.340106 0.797E-02 0.006345 0.101E-03 2798.8185
|
||
|
25 -263.592664 0.866E-03 0.338384 0.783E-02 0.006319 0.100E-03 2822.3699
|
||
|
26 -263.592846 0.851E-03 0.339725 0.764E-02 0.006345 0.995E-04 2845.3796
|
||
|
27 -263.592650 0.845E-03 0.338420 0.746E-02 0.006315 0.101E-03 2957.4369
|
||
|
28 -263.592732 0.818E-03 0.338899 0.721E-02 0.006328 0.985E-04 3049.4908
|
||
|
29 -263.592849 0.797E-03 0.339901 0.700E-02 0.006341 0.961E-04 3131.6714
|
||
|
30 -263.592811 0.771E-03 0.339420 0.678E-02 0.006339 0.928E-04 3205.1369
|
||
|
31 -263.592893 0.748E-03 0.339931 0.655E-02 0.006353 0.908E-04 3230.6063
|
||
|
32 -263.592866 0.724E-03 0.339499 0.635E-02 0.006352 0.879E-04 3290.0631
|
||
|
33 -263.592806 0.705E-03 0.339069 0.619E-02 0.006345 0.855E-04 3323.8229
|
||
|
34 -263.592777 0.685E-03 0.339197 0.601E-02 0.006336 0.833E-04 3391.4692
|
||
|
35 -263.592657 0.677E-03 0.338318 0.591E-02 0.006319 0.828E-04 3433.6343
|
||
|
36 -263.592614 0.659E-03 0.337846 0.576E-02 0.006316 0.805E-04 3442.0195
|
||
|
37 -263.592635 0.642E-03 0.337983 0.561E-02 0.006320 0.785E-04 3465.9282
|
||
|
38 -263.592549 0.631E-03 0.337289 0.550E-02 0.006309 0.772E-04 3487.5395
|
||
|
39 -263.592598 0.617E-03 0.338071 0.543E-02 0.006309 0.751E-04 3510.9474
|
||
|
40 -263.592442 0.621E-03 0.336651 0.548E-02 0.006291 0.753E-04 3527.9866
|
||
|
41 -263.592447 0.606E-03 0.336648 0.534E-02 0.006292 0.735E-04 3581.5016
|
||
|
42 -263.592777 0.681E-03 0.339454 0.592E-02 0.006330 0.826E-04 3632.4488
|
||
|
43 -263.592725 0.667E-03 0.339030 0.579E-02 0.006323 0.810E-04 3698.3918
|
||
|
44 -263.592800 0.656E-03 0.339491 0.568E-02 0.006334 0.800E-04 3707.2320
|
||
|
45 -263.592693 0.649E-03 0.338636 0.560E-02 0.006321 0.793E-04 3748.6549
|
||
|
46 -263.592643 0.637E-03 0.338335 0.549E-02 0.006313 0.779E-04 3758.9520
|
||
|
47 -263.592703 0.626E-03 0.339123 0.540E-02 0.006315 0.766E-04 3799.7111
|
||
|
48 -263.592885 0.639E-03 0.340799 0.555E-02 0.006335 0.777E-04 3816.5046
|
||
|
49 -263.592849 0.627E-03 0.340460 0.544E-02 0.006331 0.762E-04 3852.7241
|
||
|
50 -263.592850 0.613E-03 0.340308 0.531E-02 0.006333 0.748E-04 3879.9047
|
||
|
51 -263.592886 0.602E-03 0.340668 0.522E-02 0.006337 0.734E-04 3894.3139
|
||
|
52 -263.592878 0.590E-03 0.340514 0.512E-02 0.006337 0.719E-04 3911.6264
|
||
|
53 -263.592800 0.584E-03 0.340015 0.505E-02 0.006325 0.716E-04 3924.5455
|
||
|
54 -263.592859 0.579E-03 0.340615 0.501E-02 0.006331 0.708E-04 3945.5758
|
||
|
55 -263.592977 0.580E-03 0.341515 0.500E-02 0.006347 0.714E-04 3961.5765
|
||
|
56 -263.592937 0.571E-03 0.341289 0.492E-02 0.006341 0.704E-04 3970.8105
|
||
|
57 -263.592856 0.567E-03 0.340584 0.488E-02 0.006331 0.698E-04 3974.1629
|
||
|
58 -263.592771 0.564E-03 0.339746 0.487E-02 0.006323 0.691E-04 3997.2889
|
||
|
60 -263.592708 0.549E-03 0.339110 0.474E-02 0.006317 0.675E-04 4024.5969
|
||
|
62 -263.592813 0.537E-03 0.339967 0.465E-02 0.006331 0.660E-04 4032.1616
|
||
|
63 -263.592864 0.531E-03 0.340315 0.458E-02 0.006339 0.653E-04 4063.0848
|
||
|
65 -263.592808 0.517E-03 0.340085 0.445E-02 0.006328 0.640E-04 4076.8450
|
||
|
67 -263.592822 0.525E-03 0.340150 0.452E-02 0.006330 0.646E-04 4083.4969
|
||
|
68 -263.592922 0.527E-03 0.340927 0.452E-02 0.006343 0.650E-04 4100.2511
|
||
|
69 -263.593036 0.532E-03 0.341987 0.458E-02 0.006356 0.653E-04 4125.2239
|
||
|
70 -263.593012 0.525E-03 0.341626 0.453E-02 0.006356 0.644E-04 4128.8933
|
||
|
71 -263.593035 0.517E-03 0.341745 0.447E-02 0.006359 0.635E-04 4151.0376
|
||
|
73 -263.592924 0.512E-03 0.340746 0.442E-02 0.006347 0.626E-04 4167.6798
|
||
|
74 -263.592890 0.506E-03 0.340540 0.437E-02 0.006342 0.620E-04 4186.6896
|
||
|
75 -263.592904 0.499E-03 0.340661 0.431E-02 0.006343 0.612E-04 4202.1464
|
||
|
77 -263.592744 0.500E-03 0.339323 0.430E-02 0.006324 0.614E-04 4231.2254
|
||
|
78 -263.592618 0.509E-03 0.338213 0.439E-02 0.006309 0.624E-04 4253.5358
|
||
|
80 -263.592639 0.501E-03 0.338514 0.432E-02 0.006310 0.613E-04 4284.9844
|
||
|
81 -263.592699 0.498E-03 0.339073 0.430E-02 0.006316 0.610E-04 4288.7902
|
||
|
82 -263.592698 0.492E-03 0.339010 0.425E-02 0.006317 0.602E-04 4304.2120
|
||
|
84 -263.592588 0.487E-03 0.338028 0.420E-02 0.006305 0.595E-04 4324.9669
|
||
|
85 -263.592546 0.483E-03 0.337561 0.419E-02 0.006301 0.587E-04 4342.1390
|
||
|
86 -263.592532 0.478E-03 0.337648 0.414E-02 0.006296 0.582E-04 4354.8778
|
||
|
87 -263.592567 0.473E-03 0.338028 0.411E-02 0.006300 0.576E-04 4376.8009
|
||
|
89 -263.592497 0.466E-03 0.337400 0.405E-02 0.006291 0.568E-04 4394.9933
|
||
|
90 -263.592492 0.461E-03 0.337315 0.400E-02 0.006291 0.562E-04 4402.2051
|
||
|
91 -263.592570 0.462E-03 0.337872 0.400E-02 0.006302 0.566E-04 4428.0065
|
||
|
92 -263.592533 0.459E-03 0.337436 0.398E-02 0.006300 0.560E-04 4438.6415
|
||
|
93 -263.592526 0.455E-03 0.337280 0.395E-02 0.006300 0.555E-04 4454.5620
|
||
|
94 -263.592477 0.453E-03 0.336875 0.393E-02 0.006294 0.552E-04 4459.0294
|
||
|
96 -263.592515 0.444E-03 0.337276 0.386E-02 0.006298 0.542E-04 4481.3217
|
||
|
97 -263.592540 0.440E-03 0.337430 0.382E-02 0.006301 0.537E-04 4500.4113
|
||
|
98 -263.592508 0.437E-03 0.337228 0.379E-02 0.006296 0.534E-04 4511.1018
|
||
|
100 -263.592534 0.432E-03 0.337655 0.376E-02 0.006297 0.527E-04 4526.9142
|
||
|
101 -263.592488 0.430E-03 0.337278 0.374E-02 0.006291 0.525E-04 4531.8798
|
||
|
103 -263.592443 0.423E-03 0.336865 0.368E-02 0.006286 0.516E-04 4552.9645
|
||
|
104 -263.592448 0.419E-03 0.336951 0.364E-02 0.006286 0.511E-04 4584.0746
|
||
|
105 -263.592460 0.415E-03 0.337039 0.361E-02 0.006288 0.506E-04 4593.8864
|
||
|
107 -263.592544 0.412E-03 0.337823 0.359E-02 0.006297 0.501E-04 4603.6900
|
||
|
109 -263.592545 0.404E-03 0.337780 0.353E-02 0.006298 0.493E-04 4615.0923
|
||
|
110 -263.592613 0.406E-03 0.338363 0.354E-02 0.006307 0.495E-04 4637.0069
|
||
|
111 -263.592616 0.403E-03 0.338370 0.351E-02 0.006307 0.491E-04 4652.4267
|
||
|
112 -263.592700 0.408E-03 0.339094 0.355E-02 0.006317 0.496E-04 4654.8080
|
||
|
113 -263.592657 0.406E-03 0.338847 0.352E-02 0.006309 0.497E-04 4668.3965
|
||
|
114 -263.592661 0.402E-03 0.338890 0.349E-02 0.006310 0.493E-04 4694.6362
|
||
|
115 -263.592627 0.400E-03 0.338683 0.347E-02 0.006304 0.492E-04 4705.8811
|
||
|
117 -263.592616 0.394E-03 0.338550 0.341E-02 0.006303 0.484E-04 4708.3186
|
||
|
118 -263.592599 0.391E-03 0.338400 0.338E-02 0.006301 0.480E-04 4723.1570
|
||
|
120 -263.592576 0.384E-03 0.338265 0.333E-02 0.006298 0.473E-04 4750.0002
|
||
|
122 -263.592621 0.390E-03 0.338728 0.337E-02 0.006301 0.478E-04 4768.6255
|
||
|
123 -263.592643 0.387E-03 0.338952 0.335E-02 0.006303 0.475E-04 4788.9668
|
||
|
124 -263.592677 0.384E-03 0.339320 0.333E-02 0.006306 0.471E-04 4808.8493
|
||
|
125 -263.592713 0.383E-03 0.339645 0.332E-02 0.006310 0.469E-04 4826.6212
|
||
|
126 -263.592651 0.385E-03 0.339159 0.333E-02 0.006302 0.473E-04 4851.8151
|
||
|
128 -263.592607 0.381E-03 0.338655 0.330E-02 0.006299 0.467E-04 4871.3136
|
||
|
129 -263.592633 0.379E-03 0.338767 0.328E-02 0.006303 0.466E-04 4877.8452
|
||
|
131 -263.592645 0.375E-03 0.338860 0.324E-02 0.006305 0.461E-04 4899.0161
|
||
|
132 -263.592667 0.371E-03 0.339085 0.322E-02 0.006306 0.457E-04 4903.0433
|
||
|
134 -263.592630 0.367E-03 0.338808 0.317E-02 0.006302 0.452E-04 4913.0505
|
||
|
135 -263.592663 0.366E-03 0.339128 0.317E-02 0.006305 0.450E-04 4922.2909
|
||
|
136 -263.592653 0.363E-03 0.339073 0.314E-02 0.006303 0.447E-04 4939.6360
|
||
|
137 -263.592652 0.360E-03 0.339021 0.312E-02 0.006304 0.443E-04 4962.6307
|
||
|
138 -263.592601 0.361E-03 0.338571 0.313E-02 0.006298 0.444E-04 4974.0990
|
||
|
139 -263.592604 0.359E-03 0.338553 0.311E-02 0.006299 0.441E-04 4983.4332
|
||
|
141 -263.592635 0.355E-03 0.338853 0.307E-02 0.006301 0.436E-04 4998.9343
|
||
|
142 -263.592608 0.354E-03 0.338578 0.306E-02 0.006299 0.434E-04 5014.6999
|
||
|
143 -263.592617 0.351E-03 0.338658 0.304E-02 0.006300 0.431E-04 5025.7195
|
||
|
144 -263.592630 0.349E-03 0.338736 0.302E-02 0.006302 0.429E-04 5034.3248
|
||
|
145 -263.592657 0.348E-03 0.338942 0.301E-02 0.006305 0.427E-04 5045.5874
|
||
|
146 -263.592666 0.345E-03 0.339055 0.299E-02 0.006306 0.424E-04 5059.2013
|
||
|
147 -263.592642 0.344E-03 0.338815 0.298E-02 0.006303 0.422E-04 5076.8633
|
||
|
149 -263.592681 0.343E-03 0.339221 0.297E-02 0.006307 0.419E-04 5097.9658
|
||
|
150 -263.592716 0.342E-03 0.339541 0.297E-02 0.006311 0.418E-04 5102.8616
|
||
|
151 -263.592731 0.340E-03 0.339704 0.296E-02 0.006312 0.416E-04 5115.9845
|
||
|
152 -263.592732 0.338E-03 0.339789 0.294E-02 0.006311 0.413E-04 5136.4406
|
||
|
153 -263.592787 0.340E-03 0.340262 0.296E-02 0.006318 0.416E-04 5151.9683
|
||
|
154 -263.592880 0.350E-03 0.341061 0.304E-02 0.006330 0.429E-04 5167.4798
|
||
|
155 -263.592871 0.348E-03 0.340956 0.303E-02 0.006329 0.426E-04 5189.4673
|
||
|
156 -263.592888 0.346E-03 0.341086 0.301E-02 0.006331 0.424E-04 5200.2830
|
||
|
157 -263.592871 0.345E-03 0.340887 0.300E-02 0.006330 0.422E-04 5204.4203
|
||
|
158 -263.592854 0.343E-03 0.340761 0.298E-02 0.006328 0.419E-04 5226.5886
|
||
|
159 -263.592866 0.341E-03 0.340859 0.296E-02 0.006329 0.416E-04 5229.9998
|
||
|
160 -263.592867 0.338E-03 0.340904 0.294E-02 0.006328 0.414E-04 5245.7735
|
||
|
161 -263.592881 0.337E-03 0.341052 0.293E-02 0.006330 0.411E-04 5251.5282
|
||
|
162 -263.592842 0.337E-03 0.340740 0.293E-02 0.006325 0.412E-04 5254.6848
|
||
|
163 -263.592828 0.335E-03 0.340579 0.291E-02 0.006324 0.410E-04 5278.2761
|
||
|
165 -263.592730 0.338E-03 0.339788 0.293E-02 0.006311 0.414E-04 5292.0192
|
||
|
167 -263.592713 0.334E-03 0.339708 0.290E-02 0.006308 0.410E-04 5305.8319
|
||
|
168 -263.592705 0.333E-03 0.339617 0.288E-02 0.006307 0.408E-04 5314.1848
|
||
|
169 -263.592702 0.331E-03 0.339505 0.287E-02 0.006308 0.405E-04 5333.8627
|
||
|
170 -263.592689 0.329E-03 0.339385 0.286E-02 0.006307 0.402E-04 5352.3420
|
||
|
171 -263.592690 0.327E-03 0.339454 0.284E-02 0.006306 0.400E-04 5365.3697
|
||
|
172 -263.592663 0.326E-03 0.339220 0.284E-02 0.006303 0.399E-04 5384.4148
|
||
|
174 -263.592699 0.324E-03 0.339524 0.281E-02 0.006307 0.396E-04 5414.7138
|
||
|
175 -263.592744 0.325E-03 0.339927 0.283E-02 0.006313 0.397E-04 5415.9560
|
||
|
176 -263.592756 0.323E-03 0.340107 0.282E-02 0.006313 0.395E-04 5429.6710
|
||
|
177 -263.592735 0.322E-03 0.339909 0.281E-02 0.006310 0.393E-04 5435.6317
|
||
|
179 -263.592757 0.319E-03 0.340076 0.278E-02 0.006313 0.390E-04 5442.8802
|
||
|
180 -263.592772 0.317E-03 0.340195 0.276E-02 0.006315 0.388E-04 5446.1747
|
||
|
181 -263.592728 0.319E-03 0.339810 0.277E-02 0.006310 0.390E-04 5467.3130
|
||
|
182 -263.592749 0.318E-03 0.340031 0.277E-02 0.006312 0.388E-04 5488.4269
|
||
|
184 -263.592748 0.315E-03 0.340069 0.274E-02 0.006311 0.384E-04 5492.2221
|
||
|
186 -263.592753 0.313E-03 0.340064 0.273E-02 0.006313 0.382E-04 5497.0898
|
||
|
187 -263.592751 0.311E-03 0.340050 0.271E-02 0.006312 0.380E-04 5511.9860
|
||
|
188 -263.592750 0.310E-03 0.340121 0.270E-02 0.006311 0.378E-04 5517.7394
|
||
|
189 -263.592739 0.308E-03 0.340083 0.269E-02 0.006309 0.376E-04 5534.2521
|
||
|
190 -263.592743 0.307E-03 0.340130 0.267E-02 0.006309 0.374E-04 5549.0274
|
||
|
191 -263.592735 0.305E-03 0.340034 0.266E-02 0.006308 0.372E-04 5561.7354
|
||
|
192 -263.592731 0.303E-03 0.340009 0.265E-02 0.006308 0.370E-04 5569.9015
|
||
|
193 -263.592762 0.304E-03 0.340247 0.265E-02 0.006312 0.371E-04 5571.4687
|
||
|
194 -263.592750 0.302E-03 0.340159 0.263E-02 0.006310 0.369E-04 5599.5049
|
||
|
196 -263.592757 0.299E-03 0.340224 0.261E-02 0.006311 0.365E-04 5611.9408
|
||
|
197 -263.592769 0.298E-03 0.340373 0.260E-02 0.006312 0.364E-04 5620.9097
|
||
|
198 -263.592770 0.297E-03 0.340360 0.259E-02 0.006312 0.363E-04 5622.9705
|
||
|
199 -263.592739 0.297E-03 0.340114 0.259E-02 0.006308 0.363E-04 5647.8801
|
||
|
201 -263.592777 0.296E-03 0.340392 0.258E-02 0.006313 0.363E-04 5651.1686
|
||
|
203 -263.592798 0.295E-03 0.340603 0.258E-02 0.006316 0.361E-04 5668.1713
|
||
|
204 -263.592769 0.295E-03 0.340370 0.257E-02 0.006312 0.361E-04 5671.3174
|
||
|
207 -263.592777 0.294E-03 0.340404 0.255E-02 0.006313 0.360E-04 5694.3155
|
||
|
208 -263.592796 0.293E-03 0.340541 0.255E-02 0.006316 0.359E-04 5702.5294
|
||
|
211 -263.592768 0.291E-03 0.340231 0.253E-02 0.006313 0.356E-04 5710.2121
|
||
|
212 -263.592758 0.290E-03 0.340185 0.252E-02 0.006312 0.355E-04 5713.9675
|
||
|
213 -263.592789 0.290E-03 0.340450 0.252E-02 0.006315 0.355E-04 5721.6634
|
||
|
215 -263.592811 0.288E-03 0.340739 0.251E-02 0.006317 0.352E-04 5745.5900
|
||
|
216 -263.592819 0.287E-03 0.340771 0.250E-02 0.006318 0.351E-04 5753.3470
|
||
|
217 -263.592812 0.285E-03 0.340620 0.248E-02 0.006319 0.349E-04 5767.3722
|
||
|
218 -263.592812 0.284E-03 0.340615 0.247E-02 0.006319 0.347E-04 5773.3664
|
||
|
220 -263.592759 0.284E-03 0.340156 0.247E-02 0.006313 0.347E-04 5774.8486
|
||
|
221 -263.592755 0.283E-03 0.340094 0.246E-02 0.006312 0.345E-04 5802.5583
|
||
|
222 -263.592751 0.281E-03 0.340053 0.245E-02 0.006312 0.344E-04 5804.3275
|
||
|
224 -263.592737 0.280E-03 0.339958 0.243E-02 0.006310 0.342E-04 5819.6245
|
||
|
226 -263.592750 0.279E-03 0.340043 0.243E-02 0.006312 0.340E-04 5825.0698
|
||
|
227 -263.592746 0.278E-03 0.340005 0.242E-02 0.006311 0.339E-04 5843.2653
|
||
|
228 -263.592739 0.276E-03 0.339941 0.241E-02 0.006311 0.338E-04 5855.2303
|
||
|
229 -263.592743 0.275E-03 0.339985 0.240E-02 0.006311 0.336E-04 5870.3215
|
||
|
230 -263.592738 0.274E-03 0.339940 0.239E-02 0.006310 0.335E-04 5877.1993
|
||
|
232 -263.592741 0.272E-03 0.339965 0.237E-02 0.006311 0.333E-04 5902.5805
|
||
|
233 -263.592750 0.271E-03 0.340049 0.236E-02 0.006312 0.331E-04 5905.3746
|
||
|
235 -263.592782 0.270E-03 0.340311 0.236E-02 0.006316 0.330E-04 5928.6715
|
||
|
237 -263.592787 0.268E-03 0.340314 0.234E-02 0.006317 0.327E-04 5929.9173
|
||
|
241 -263.592783 0.267E-03 0.340268 0.233E-02 0.006317 0.326E-04 5943.4355
|
||
|
242 -263.592792 0.266E-03 0.340325 0.232E-02 0.006318 0.325E-04 5954.1632
|
||
|
243 -263.592793 0.265E-03 0.340314 0.231E-02 0.006319 0.324E-04 5957.6816
|
||
|
244 -263.592777 0.263E-03 0.340284 0.229E-02 0.006315 0.322E-04 5972.0066
|
||
|
245 -263.592788 0.262E-03 0.340373 0.228E-02 0.006316 0.320E-04 5978.0639
|
||
|
246 -263.592815 0.263E-03 0.340573 0.228E-02 0.006320 0.321E-04 5981.0071
|
||
|
248 -263.592843 0.261E-03 0.340728 0.227E-02 0.006324 0.320E-04 6000.7244
|
||
|
250 -263.592881 0.261E-03 0.341021 0.226E-02 0.006329 0.320E-04 6008.7697
|
||
|
251 -263.592869 0.260E-03 0.340915 0.226E-02 0.006328 0.319E-04 6024.3708
|
||
|
252 -263.592881 0.259E-03 0.341047 0.225E-02 0.006329 0.318E-04 6029.8562
|
||
|
253 -263.592884 0.258E-03 0.341082 0.224E-02 0.006329 0.317E-04 6031.6993
|
||
|
255 -263.592892 0.257E-03 0.341163 0.223E-02 0.006330 0.316E-04 6052.6786
|
||
|
256 -263.592896 0.256E-03 0.341205 0.222E-02 0.006330 0.314E-04 6053.9113
|
||
|
257 -263.592887 0.255E-03 0.341084 0.222E-02 0.006330 0.313E-04 6069.1221
|
||
|
258 -263.592893 0.255E-03 0.341162 0.221E-02 0.006330 0.312E-04 6080.4280
|
||
|
259 -263.592880 0.254E-03 0.341020 0.221E-02 0.006329 0.311E-04 6082.9021
|
||
|
260 -263.592864 0.253E-03 0.340899 0.220E-02 0.006327 0.311E-04 6093.7421
|
||
|
261 -263.592847 0.253E-03 0.340746 0.220E-02 0.006325 0.310E-04 6102.5699
|
||
|
262 -263.592844 0.252E-03 0.340733 0.219E-02 0.006325 0.309E-04 6105.8768
|
||
|
263 -263.592852 0.251E-03 0.340760 0.218E-02 0.006326 0.308E-04 6110.6898
|
||
|
264 -263.592828 0.251E-03 0.340568 0.218E-02 0.006323 0.309E-04 6131.6797
|
||
|
265 -263.592826 0.250E-03 0.340547 0.217E-02 0.006323 0.307E-04 6133.4914
|
||
|
266 -263.592832 0.250E-03 0.340631 0.217E-02 0.006323 0.306E-04 6144.5909
|
||
|
267 -263.592816 0.249E-03 0.340493 0.216E-02 0.006321 0.306E-04 6153.4557
|
||
|
268 -263.592817 0.248E-03 0.340504 0.216E-02 0.006321 0.305E-04 6162.8386
|
||
|
270 -263.592839 0.248E-03 0.340703 0.215E-02 0.006324 0.304E-04 6189.6431
|
||
|
272 -263.592839 0.246E-03 0.340704 0.214E-02 0.006324 0.302E-04 6194.9412
|
||
|
275 -263.592853 0.244E-03 0.340803 0.212E-02 0.006326 0.299E-04 6214.8980
|
||
|
276 -263.592849 0.243E-03 0.340756 0.211E-02 0.006325 0.298E-04 6219.5040
|
||
|
277 -263.592830 0.243E-03 0.340569 0.211E-02 0.006324 0.297E-04 6224.0684
|
||
|
278 -263.592850 0.243E-03 0.340783 0.212E-02 0.006326 0.297E-04 6232.6499
|
||
|
279 -263.592871 0.243E-03 0.340993 0.212E-02 0.006328 0.297E-04 6234.2205
|
||
|
280 -263.592874 0.242E-03 0.341033 0.211E-02 0.006328 0.296E-04 6239.8997
|
||
|
281 -263.592880 0.241E-03 0.341073 0.211E-02 0.006329 0.295E-04 6244.8801
|
||
|
283 -263.592906 0.241E-03 0.341318 0.210E-02 0.006332 0.294E-04 6255.3031
|
||
|
284 -263.592917 0.240E-03 0.341395 0.210E-02 0.006333 0.294E-04 6267.7288
|
||
|
285 -263.592923 0.240E-03 0.341419 0.209E-02 0.006334 0.293E-04 6271.2686
|
||
|
287 -263.592912 0.238E-03 0.341319 0.208E-02 0.006333 0.291E-04 6282.8769
|
||
|
288 -263.592890 0.238E-03 0.341149 0.208E-02 0.006330 0.291E-04 6290.1735
|
||
|
289 -263.592893 0.237E-03 0.341187 0.207E-02 0.006330 0.290E-04 6295.2743
|
||
|
290 -263.592910 0.237E-03 0.341339 0.207E-02 0.006332 0.290E-04 6307.0906
|
||
|
291 -263.592906 0.236E-03 0.341291 0.206E-02 0.006332 0.289E-04 6311.0305
|
||
|
293 -263.592931 0.236E-03 0.341434 0.206E-02 0.006336 0.290E-04 6325.6778
|
||
|
294 -263.592942 0.235E-03 0.341534 0.204E-02 0.006338 0.288E-04 6342.4084
|
||
|
296 -263.592952 0.233E-03 0.341635 0.203E-02 0.006339 0.287E-04 6346.2112
|
||
|
297 -263.592946 0.233E-03 0.341591 0.202E-02 0.006338 0.286E-04 6358.0294
|
||
|
298 -263.592952 0.232E-03 0.341642 0.202E-02 0.006339 0.285E-04 6362.3133
|
||
|
299 -263.592970 0.232E-03 0.341814 0.202E-02 0.006341 0.285E-04 6375.2324
|
||
|
300 -263.592960 0.231E-03 0.341701 0.201E-02 0.006340 0.284E-04 6377.0620
|
||
|
302 -263.592984 0.230E-03 0.341922 0.201E-02 0.006343 0.283E-04 6389.0627
|
||
|
303 -263.592970 0.230E-03 0.341798 0.201E-02 0.006341 0.282E-04 6392.4469
|
||
|
305 -263.592954 0.229E-03 0.341632 0.200E-02 0.006340 0.280E-04 6397.0278
|
||
|
306 -263.592956 0.228E-03 0.341676 0.199E-02 0.006339 0.280E-04 6408.3322
|
||
|
307 -263.592956 0.227E-03 0.341697 0.198E-02 0.006339 0.279E-04 6423.3397
|
||
|
308 -263.592966 0.227E-03 0.341778 0.198E-02 0.006340 0.278E-04 6427.4216
|
||
|
310 -263.592970 0.225E-03 0.341825 0.197E-02 0.006340 0.276E-04 6444.3436
|
||
|
311 -263.592963 0.225E-03 0.341768 0.196E-02 0.006339 0.275E-04 6453.6993
|
||
|
312 -263.592956 0.224E-03 0.341749 0.195E-02 0.006338 0.275E-04 6462.1830
|
||
|
314 -263.593000 0.225E-03 0.342118 0.196E-02 0.006344 0.276E-04 6473.2397
|
||
|
316 -263.593032 0.225E-03 0.342496 0.197E-02 0.006346 0.275E-04 6490.4098
|
||
|
317 -263.593036 0.224E-03 0.342519 0.196E-02 0.006347 0.274E-04 6497.6599
|
||
|
319 -263.593014 0.223E-03 0.342339 0.195E-02 0.006344 0.273E-04 6503.9659
|
||
|
320 -263.593030 0.223E-03 0.342437 0.195E-02 0.006347 0.274E-04 6512.1820
|
||
|
322 -263.593057 0.223E-03 0.342670 0.194E-02 0.006350 0.273E-04 6527.7644
|
||
|
323 -263.593050 0.222E-03 0.342636 0.194E-02 0.006348 0.272E-04 6529.9175
|
||
|
325 -263.593025 0.221E-03 0.342425 0.193E-02 0.006345 0.272E-04 6541.2710
|
||
|
326 -263.593013 0.221E-03 0.342333 0.193E-02 0.006344 0.271E-04 6543.5379
|
||
|
328 -263.592994 0.221E-03 0.342188 0.192E-02 0.006341 0.271E-04 6555.4738
|
||
|
329 -263.592983 0.220E-03 0.342097 0.192E-02 0.006340 0.271E-04 6565.3169
|
||
|
331 -263.593014 0.220E-03 0.342339 0.192E-02 0.006344 0.271E-04 6581.9382
|
||
|
335 -263.592988 0.219E-03 0.342123 0.191E-02 0.006341 0.269E-04 6592.3103
|
||
|
336 -263.593007 0.219E-03 0.342289 0.191E-02 0.006343 0.269E-04 6600.3420
|
||
|
339 -263.593053 0.219E-03 0.342692 0.191E-02 0.006348 0.269E-04 6605.8426
|
||
|
340 -263.593059 0.219E-03 0.342787 0.191E-02 0.006348 0.268E-04 6610.0454
|
||
|
342 -263.593047 0.218E-03 0.342690 0.190E-02 0.006347 0.267E-04 6625.2380
|
||
|
343 -263.593036 0.217E-03 0.342594 0.190E-02 0.006345 0.267E-04 6631.1656
|
||
|
344 -263.593038 0.217E-03 0.342586 0.189E-02 0.006346 0.266E-04 6632.5045
|
||
|
346 -263.593022 0.216E-03 0.342487 0.188E-02 0.006343 0.265E-04 6650.8630
|
||
|
347 -263.593010 0.216E-03 0.342375 0.188E-02 0.006342 0.265E-04 6657.0459
|
||
|
348 -263.592994 0.216E-03 0.342237 0.188E-02 0.006340 0.265E-04 6660.1577
|
||
|
350 -263.593001 0.214E-03 0.342320 0.187E-02 0.006341 0.263E-04 6676.7354
|
||
|
351 -263.593005 0.214E-03 0.342319 0.186E-02 0.006341 0.263E-04 6682.6521
|
||
|
353 -263.593014 0.213E-03 0.342384 0.185E-02 0.006343 0.262E-04 6699.3320
|
||
|
357 -263.593056 0.211E-03 0.342695 0.184E-02 0.006349 0.260E-04 6707.8856
|
||
|
358 -263.593060 0.211E-03 0.342735 0.183E-02 0.006349 0.260E-04 6710.7708
|
||
|
359 -263.593044 0.211E-03 0.342609 0.183E-02 0.006347 0.260E-04 6719.7521
|
||
|
360 -263.593022 0.211E-03 0.342420 0.184E-02 0.006344 0.260E-04 6727.6091
|
||
|
361 -263.593042 0.212E-03 0.342576 0.184E-02 0.006347 0.261E-04 6734.8937
|
||
|
362 -263.593043 0.211E-03 0.342580 0.183E-02 0.006347 0.260E-04 6742.9355
|
||
|
363 -263.593052 0.211E-03 0.342650 0.183E-02 0.006348 0.260E-04 6748.9700
|
||
|
364 -263.593049 0.210E-03 0.342618 0.183E-02 0.006348 0.259E-04 6758.2801
|
||
|
365 -263.593052 0.210E-03 0.342648 0.182E-02 0.006349 0.258E-04 6760.7911
|
||
|
368 -263.593048 0.209E-03 0.342663 0.182E-02 0.006347 0.258E-04 6770.5830
|
||
|
369 -263.593058 0.209E-03 0.342696 0.181E-02 0.006349 0.258E-04 6779.9020
|
||
|
371 -263.593057 0.209E-03 0.342710 0.181E-02 0.006349 0.257E-04 6787.2383
|
||
|
372 -263.593036 0.209E-03 0.342555 0.181E-02 0.006346 0.257E-04 6798.6075
|
||
|
373 -263.593056 0.209E-03 0.342737 0.182E-02 0.006348 0.257E-04 6805.5419
|
||
|
374 -263.593065 0.209E-03 0.342800 0.181E-02 0.006350 0.257E-04 6810.9417
|
||
|
377 -263.593075 0.207E-03 0.342831 0.180E-02 0.006352 0.255E-04 6819.6619
|
||
|
378 -263.593066 0.207E-03 0.342752 0.180E-02 0.006350 0.255E-04 6830.6046
|
||
|
379 -263.593080 0.207E-03 0.342901 0.180E-02 0.006352 0.254E-04 6838.6293
|
||
|
380 -263.593083 0.206E-03 0.342926 0.179E-02 0.006352 0.254E-04 6845.6358
|
||
|
381 -263.593082 0.206E-03 0.342917 0.179E-02 0.006352 0.253E-04 6850.1175
|
||
|
382 -263.593067 0.206E-03 0.342791 0.179E-02 0.006350 0.253E-04 6861.7395
|
||
|
384 -263.593055 0.205E-03 0.342698 0.178E-02 0.006348 0.252E-04 6869.0850
|
||
|
386 -263.593040 0.204E-03 0.342544 0.178E-02 0.006347 0.251E-04 6893.4582
|
||
|
388 -263.593036 0.203E-03 0.342501 0.177E-02 0.006347 0.250E-04 6908.3723
|
||
|
391 -263.593055 0.202E-03 0.342653 0.176E-02 0.006349 0.248E-04 6911.7864
|
||
|
393 -263.593045 0.201E-03 0.342575 0.175E-02 0.006348 0.247E-04 6919.2865
|
||
|
394 -263.593049 0.200E-03 0.342597 0.175E-02 0.006348 0.246E-04 6940.5393
|
||
|
397 -263.593072 0.199E-03 0.342842 0.173E-02 0.006350 0.244E-04 6943.4925
|
||
|
398 -263.593083 0.199E-03 0.342911 0.173E-02 0.006352 0.244E-04 6952.5965
|
||
|
401 -263.593088 0.198E-03 0.342977 0.173E-02 0.006353 0.244E-04 6960.1607
|
||
|
402 -263.593060 0.200E-03 0.342737 0.174E-02 0.006349 0.246E-04 6963.9478
|
||
|
403 -263.593068 0.199E-03 0.342798 0.174E-02 0.006350 0.245E-04 6969.5747
|
||
|
404 -263.593055 0.199E-03 0.342674 0.174E-02 0.006349 0.245E-04 6977.2355
|
||
|
406 -263.593060 0.199E-03 0.342715 0.173E-02 0.006349 0.244E-04 6994.4304
|
||
|
407 -263.593072 0.198E-03 0.342830 0.173E-02 0.006351 0.244E-04 6996.5696
|
||
|
410 -263.593095 0.198E-03 0.343017 0.173E-02 0.006354 0.243E-04 7003.6860
|
||
|
411 -263.593092 0.198E-03 0.342997 0.172E-02 0.006353 0.243E-04 7020.9502
|
||
|
415 -263.593077 0.197E-03 0.342857 0.171E-02 0.006351 0.242E-04 7032.8380
|
||
|
419 -263.593068 0.196E-03 0.342790 0.171E-02 0.006350 0.242E-04 7041.7908
|
||
|
420 -263.593057 0.196E-03 0.342693 0.171E-02 0.006349 0.241E-04 7046.1412
|
||
|
421 -263.593077 0.196E-03 0.342877 0.170E-02 0.006351 0.241E-04 7053.6242
|
||
|
422 -263.593070 0.196E-03 0.342808 0.170E-02 0.006350 0.241E-04 7060.4122
|
||
|
423 -263.593071 0.195E-03 0.342792 0.170E-02 0.006351 0.240E-04 7071.5222
|
||
|
426 -263.593047 0.195E-03 0.342566 0.170E-02 0.006348 0.240E-04 7082.4525
|
||
|
428 -263.593060 0.195E-03 0.342684 0.169E-02 0.006349 0.240E-04 7093.0797
|
||
|
430 -263.593082 0.195E-03 0.342860 0.169E-02 0.006352 0.240E-04 7096.7692
|
||
|
431 -263.593088 0.194E-03 0.342922 0.169E-02 0.006353 0.239E-04 7104.3927
|
||
|
432 -263.593085 0.194E-03 0.342919 0.168E-02 0.006352 0.239E-04 7111.2063
|
||
|
433 -263.593081 0.194E-03 0.342901 0.168E-02 0.006351 0.238E-04 7120.3232
|
||
|
434 -263.593081 0.193E-03 0.342897 0.168E-02 0.006352 0.238E-04 7130.0501
|
||
|
438 -263.593071 0.192E-03 0.342784 0.167E-02 0.006351 0.237E-04 7133.1126
|
||
|
440 -263.593092 0.192E-03 0.342996 0.167E-02 0.006353 0.236E-04 7143.9234
|
||
|
441 -263.593083 0.192E-03 0.342918 0.167E-02 0.006352 0.236E-04 7147.7846
|
||
|
442 -263.593079 0.191E-03 0.342887 0.166E-02 0.006351 0.235E-04 7170.7557
|
||
|
446 -263.593074 0.190E-03 0.342813 0.165E-02 0.006351 0.234E-04 7173.0739
|
||
|
450 -263.593072 0.188E-03 0.342751 0.164E-02 0.006351 0.232E-04 7180.7402
|
||
|
452 -263.593055 0.188E-03 0.342594 0.163E-02 0.006350 0.231E-04 7183.3850
|
||
|
453 -263.593052 0.187E-03 0.342551 0.163E-02 0.006350 0.230E-04 7195.3892
|
||
|
454 -263.593051 0.187E-03 0.342550 0.163E-02 0.006349 0.230E-04 7199.1029
|
||
|
455 -263.593067 0.187E-03 0.342676 0.163E-02 0.006351 0.230E-04 7206.4678
|
||
|
456 -263.593083 0.187E-03 0.342820 0.163E-02 0.006353 0.230E-04 7213.4449
|
||
|
459 -263.593073 0.188E-03 0.342771 0.163E-02 0.006351 0.231E-04 7223.7015
|
||
|
462 -263.593085 0.187E-03 0.342892 0.163E-02 0.006353 0.230E-04 7236.4633
|
||
|
467 -263.593132 0.188E-03 0.343292 0.163E-02 0.006359 0.231E-04 7246.8296
|
||
|
468 -263.593134 0.187E-03 0.343305 0.163E-02 0.006359 0.231E-04 7249.4531
|
||
|
473 -263.593143 0.186E-03 0.343369 0.162E-02 0.006360 0.229E-04 7256.9852
|
||
|
474 -263.593150 0.186E-03 0.343409 0.161E-02 0.006361 0.229E-04 7265.0184
|
||
|
475 -263.593145 0.186E-03 0.343350 0.161E-02 0.006361 0.229E-04 7278.2093
|
||
|
479 -263.593142 0.184E-03 0.343321 0.160E-02 0.006361 0.227E-04 7281.3084
|
||
|
481 -263.593149 0.184E-03 0.343372 0.160E-02 0.006362 0.226E-04 7286.9456
|
||
|
482 -263.593165 0.184E-03 0.343508 0.160E-02 0.006364 0.227E-04 7295.5167
|
||
|
483 -263.593174 0.184E-03 0.343603 0.160E-02 0.006364 0.226E-04 7298.6224
|
||
|
484 -263.593170 0.183E-03 0.343574 0.159E-02 0.006364 0.226E-04 7306.8813
|
||
|
486 -263.593164 0.183E-03 0.343494 0.159E-02 0.006363 0.226E-04 7313.9196
|
||
|
488 -263.593150 0.183E-03 0.343368 0.159E-02 0.006362 0.225E-04 7322.8994
|
||
|
489 -263.593142 0.183E-03 0.343301 0.159E-02 0.006361 0.225E-04 7332.0285
|
||
|
490 -263.593150 0.183E-03 0.343379 0.159E-02 0.006362 0.225E-04 7336.2315
|
||
|
492 -263.593159 0.182E-03 0.343460 0.158E-02 0.006363 0.224E-04 7345.0586
|
||
|
493 -263.593144 0.182E-03 0.343333 0.159E-02 0.006361 0.225E-04 7349.8916
|
||
|
495 -263.593148 0.182E-03 0.343363 0.158E-02 0.006361 0.224E-04 7355.5839
|
||
|
496 -263.593136 0.182E-03 0.343256 0.158E-02 0.006360 0.224E-04 7365.3091
|
||
|
497 -263.593146 0.182E-03 0.343333 0.158E-02 0.006361 0.223E-04 7372.9857
|
||
|
501 -263.593137 0.181E-03 0.343273 0.157E-02 0.006360 0.223E-04 7379.9203
|
||
|
503 -263.593149 0.181E-03 0.343380 0.157E-02 0.006361 0.222E-04 7381.2228
|
||
|
504 -263.593141 0.180E-03 0.343298 0.157E-02 0.006361 0.222E-04 7397.0384
|
||
|
507 -263.593132 0.180E-03 0.343203 0.156E-02 0.006360 0.221E-04 7398.1051
|
||
|
511 -263.593134 0.179E-03 0.343240 0.155E-02 0.006360 0.220E-04 7406.0607
|
||
|
516 -263.593125 0.178E-03 0.343138 0.154E-02 0.006359 0.219E-04 7416.6280
|
||
|
519 -263.593128 0.177E-03 0.343156 0.154E-02 0.006360 0.219E-04 7423.8179
|
||
|
520 -263.593127 0.177E-03 0.343158 0.154E-02 0.006359 0.218E-04 7430.5856
|
||
|
521 -263.593136 0.177E-03 0.343215 0.154E-02 0.006361 0.218E-04 7432.9637
|
||
|
528 -263.593130 0.175E-03 0.343116 0.152E-02 0.006361 0.216E-04 7448.6594
|
||
|
530 -263.593114 0.175E-03 0.342996 0.152E-02 0.006359 0.216E-04 7452.5320
|
||
|
531 -263.593114 0.175E-03 0.343001 0.152E-02 0.006359 0.216E-04 7456.9990
|
||
|
532 -263.593122 0.175E-03 0.343080 0.151E-02 0.006359 0.215E-04 7466.9995
|
||
|
534 -263.593110 0.174E-03 0.342958 0.151E-02 0.006358 0.215E-04 7475.2034
|
||
|
535 -263.593112 0.174E-03 0.342964 0.151E-02 0.006358 0.214E-04 7480.1235
|
||
|
536 -263.593109 0.173E-03 0.342928 0.151E-02 0.006358 0.214E-04 7483.1621
|
||
|
540 -263.593101 0.173E-03 0.342876 0.150E-02 0.006357 0.213E-04 7486.3394
|
||
|
541 -263.593102 0.172E-03 0.342876 0.150E-02 0.006357 0.212E-04 7499.0915
|
||
|
542 -263.593107 0.172E-03 0.342902 0.149E-02 0.006358 0.212E-04 7503.1433
|
||
|
544 -263.593128 0.172E-03 0.343080 0.149E-02 0.006361 0.212E-04 7507.8868
|
||
|
545 -263.593117 0.172E-03 0.342999 0.149E-02 0.006359 0.212E-04 7517.1560
|
||
|
548 -263.593130 0.172E-03 0.343077 0.149E-02 0.006361 0.212E-04 7532.2646
|
||
|
550 -263.593131 0.171E-03 0.343073 0.148E-02 0.006361 0.211E-04 7533.7850
|
||
|
555 -263.593123 0.170E-03 0.343003 0.147E-02 0.006360 0.209E-04 7547.1563
|
||
|
556 -263.593119 0.170E-03 0.342981 0.147E-02 0.006360 0.209E-04 7554.0430
|
||
|
557 -263.593106 0.170E-03 0.342863 0.147E-02 0.006358 0.209E-04 7558.0545
|
||
|
558 -263.593091 0.170E-03 0.342732 0.148E-02 0.006356 0.210E-04 7566.1873
|
||
|
559 -263.593090 0.170E-03 0.342747 0.147E-02 0.006356 0.209E-04 7567.5209
|
||
|
561 -263.593110 0.170E-03 0.342944 0.148E-02 0.006358 0.210E-04 7578.2534
|
||
|
562 -263.593102 0.170E-03 0.342888 0.148E-02 0.006357 0.210E-04 7581.8200
|
||
|
563 -263.593098 0.170E-03 0.342881 0.148E-02 0.006356 0.209E-04 7583.1455
|
||
|
564 -263.593093 0.170E-03 0.342835 0.148E-02 0.006355 0.209E-04 7595.8784
|
||
|
565 -263.593087 0.170E-03 0.342807 0.147E-02 0.006355 0.209E-04 7605.0301
|
||
|
567 -263.593096 0.169E-03 0.342898 0.147E-02 0.006356 0.209E-04 7608.5885
|
||
|
568 -263.593103 0.169E-03 0.342955 0.147E-02 0.006356 0.209E-04 7618.9591
|
||
|
571 -263.593090 0.168E-03 0.342816 0.146E-02 0.006355 0.207E-04 7628.4746
|
||
|
573 -263.593101 0.168E-03 0.342912 0.146E-02 0.006357 0.207E-04 7633.8146
|
||
|
576 -263.593113 0.168E-03 0.343022 0.146E-02 0.006358 0.207E-04 7645.1282
|
||
|
577 -263.593118 0.168E-03 0.343067 0.146E-02 0.006359 0.207E-04 7655.2298
|
||
|
578 -263.593122 0.168E-03 0.343113 0.146E-02 0.006359 0.206E-04 7658.2289
|
||
|
583 -263.593130 0.167E-03 0.343183 0.145E-02 0.006360 0.206E-04 7669.6871
|
||
|
584 -263.593131 0.167E-03 0.343190 0.145E-02 0.006360 0.205E-04 7677.8149
|
||
|
585 -263.593131 0.167E-03 0.343179 0.145E-02 0.006360 0.205E-04 7683.5124
|
||
|
589 -263.593127 0.166E-03 0.343142 0.144E-02 0.006360 0.204E-04 7704.1267
|
||
|
592 -263.593116 0.165E-03 0.343039 0.144E-02 0.006359 0.203E-04 7705.2061
|
||
|
593 -263.593109 0.165E-03 0.342973 0.144E-02 0.006358 0.203E-04 7708.5458
|
||
|
594 -263.593106 0.165E-03 0.342936 0.143E-02 0.006358 0.202E-04 7716.5095
|
||
|
595 -263.593111 0.164E-03 0.342958 0.143E-02 0.006359 0.202E-04 7722.7011
|
||
|
599 -263.593121 0.163E-03 0.343019 0.142E-02 0.006360 0.201E-04 7727.5143
|
||
|
600 -263.593117 0.163E-03 0.342987 0.142E-02 0.006360 0.201E-04 7733.5461
|
||
|
602 -263.593138 0.163E-03 0.343180 0.142E-02 0.006362 0.201E-04 7744.8543
|
||
|
606 -263.593145 0.163E-03 0.343250 0.142E-02 0.006362 0.200E-04 7755.2181
|
||
|
607 -263.593146 0.162E-03 0.343278 0.142E-02 0.006362 0.199E-04 7759.7662
|
||
|
608 -263.593148 0.162E-03 0.343302 0.141E-02 0.006362 0.199E-04 7766.6184
|
||
|
610 -263.593157 0.162E-03 0.343373 0.141E-02 0.006364 0.199E-04 7773.7669
|
||
|
611 -263.593159 0.162E-03 0.343406 0.141E-02 0.006364 0.199E-04 7778.9691
|
||
|
612 -263.593159 0.161E-03 0.343411 0.141E-02 0.006364 0.198E-04 7785.8459
|
||
|
616 -263.593185 0.161E-03 0.343621 0.140E-02 0.006367 0.197E-04 7793.9003
|
||
|
618 -263.593196 0.161E-03 0.343710 0.140E-02 0.006368 0.197E-04 7807.2066
|
||
|
619 -263.593191 0.161E-03 0.343664 0.140E-02 0.006368 0.197E-04 7812.2130
|
||
|
622 -263.593171 0.160E-03 0.343517 0.140E-02 0.006365 0.197E-04 7819.6299
|
||
|
624 -263.593171 0.160E-03 0.343561 0.140E-02 0.006365 0.196E-04 7824.5839
|
||
|
625 -263.593170 0.160E-03 0.343554 0.139E-02 0.006364 0.196E-04 7829.4150
|
||
|
626 -263.593177 0.160E-03 0.343636 0.139E-02 0.006365 0.196E-04 7836.2763
|
||
|
627 -263.593185 0.160E-03 0.343691 0.139E-02 0.006366 0.196E-04 7844.6687
|
||
|
632 -263.593194 0.159E-03 0.343754 0.139E-02 0.006367 0.196E-04 7853.3178
|
||
|
633 -263.593186 0.159E-03 0.343684 0.139E-02 0.006366 0.195E-04 7857.0420
|
||
|
634 -263.593189 0.159E-03 0.343687 0.139E-02 0.006367 0.195E-04 7860.8650
|
||
|
635 -263.593188 0.159E-03 0.343683 0.138E-02 0.006367 0.195E-04 7861.8918
|
||
|
638 -263.593189 0.158E-03 0.343706 0.138E-02 0.006367 0.194E-04 7870.8735
|
||
|
639 -263.593182 0.158E-03 0.343643 0.138E-02 0.006366 0.194E-04 7879.0377
|
||
|
641 -263.593179 0.158E-03 0.343608 0.137E-02 0.006366 0.193E-04 7888.3962
|
||
|
645 -263.593182 0.157E-03 0.343609 0.137E-02 0.006366 0.193E-04 7895.6674
|
||
|
650 -263.593153 0.157E-03 0.343382 0.136E-02 0.006363 0.193E-04 7902.9632
|
||
|
651 -263.593153 0.156E-03 0.343366 0.136E-02 0.006363 0.192E-04 7908.1901
|
||
|
654 -263.593155 0.156E-03 0.343411 0.136E-02 0.006363 0.192E-04 7911.8929
|
||
|
657 -263.593153 0.155E-03 0.343379 0.136E-02 0.006363 0.191E-04 7921.5997
|
||
|
658 -263.593153 0.155E-03 0.343357 0.135E-02 0.006363 0.191E-04 7926.7412
|
||
|
659 -263.593165 0.155E-03 0.343465 0.136E-02 0.006364 0.191E-04 7929.0133
|
||
|
661 -263.593177 0.155E-03 0.343591 0.136E-02 0.006365 0.190E-04 7936.6705
|
||
|
662 -263.593170 0.155E-03 0.343549 0.135E-02 0.006364 0.190E-04 7939.7596
|
||
|
664 -263.593203 0.155E-03 0.343751 0.135E-02 0.006370 0.190E-04 7946.7369
|
||
|
668 -263.593187 0.154E-03 0.343598 0.135E-02 0.006368 0.190E-04 7951.7604
|
||
|
669 -263.593179 0.154E-03 0.343534 0.135E-02 0.006367 0.190E-04 7959.1389
|
||
|
670 -263.593183 0.154E-03 0.343568 0.135E-02 0.006368 0.189E-04 7963.0476
|
||
|
674 -263.593175 0.154E-03 0.343504 0.134E-02 0.006367 0.189E-04 7972.3496
|
||
|
677 -263.593167 0.153E-03 0.343423 0.134E-02 0.006366 0.188E-04 7976.3114
|
||
|
678 -263.593160 0.153E-03 0.343360 0.134E-02 0.006365 0.188E-04 7979.6317
|
||
|
680 -263.593166 0.153E-03 0.343429 0.133E-02 0.006365 0.188E-04 7986.7952
|
||
|
681 -263.593163 0.153E-03 0.343414 0.133E-02 0.006365 0.187E-04 7989.9932
|
||
|
683 -263.593154 0.152E-03 0.343320 0.133E-02 0.006364 0.187E-04 7996.9298
|
||
|
684 -263.593151 0.152E-03 0.343303 0.133E-02 0.006363 0.187E-04 8006.8470
|
||
|
685 -263.593146 0.152E-03 0.343251 0.133E-02 0.006363 0.186E-04 8009.9041
|
||
|
686 -263.593140 0.152E-03 0.343213 0.133E-02 0.006362 0.186E-04 8012.5516
|
||
|
687 -263.593137 0.152E-03 0.343183 0.133E-02 0.006362 0.186E-04 8013.6820
|
||
|
692 -263.593138 0.151E-03 0.343219 0.132E-02 0.006361 0.186E-04 8023.3205
|
||
|
694 -263.593135 0.151E-03 0.343225 0.132E-02 0.006361 0.185E-04 8029.8914
|
||
|
696 -263.593138 0.151E-03 0.343241 0.132E-02 0.006361 0.185E-04 8037.0758
|
||
|
698 -263.593143 0.150E-03 0.343305 0.131E-02 0.006361 0.185E-04 8039.4898
|
||
|
701 -263.593131 0.150E-03 0.343207 0.131E-02 0.006360 0.184E-04 8046.2920
|
||
|
705 -263.593131 0.149E-03 0.343196 0.131E-02 0.006360 0.183E-04 8053.3897
|
||
|
707 -263.593143 0.149E-03 0.343297 0.131E-02 0.006362 0.183E-04 8060.9577
|
||
|
709 -263.593137 0.149E-03 0.343258 0.130E-02 0.006361 0.183E-04 8064.9410
|
||
|
711 -263.593140 0.149E-03 0.343300 0.130E-02 0.006361 0.183E-04 8073.8231
|
||
|
713 -263.593143 0.148E-03 0.343343 0.130E-02 0.006361 0.182E-04 8080.7075
|
||
|
717 -263.593118 0.148E-03 0.343136 0.130E-02 0.006358 0.182E-04 8087.5830
|
||
|
718 -263.593116 0.148E-03 0.343110 0.129E-02 0.006358 0.182E-04 8089.7336
|
||
|
719 -263.593102 0.147E-03 0.342976 0.129E-02 0.006356 0.180E-04 8094.4041
|
||
|
720 -263.593100 0.147E-03 0.342981 0.128E-02 0.006356 0.180E-04 8103.9832
|
||
|
723 -263.593090 0.146E-03 0.342898 0.128E-02 0.006355 0.179E-04 8107.9416
|
||
|
725 -263.593083 0.146E-03 0.342808 0.128E-02 0.006354 0.179E-04 8111.4062
|
||
|
726 -263.593078 0.146E-03 0.342754 0.128E-02 0.006354 0.179E-04 8114.7192
|
||
|
734 -263.593073 0.145E-03 0.342709 0.127E-02 0.006353 0.177E-04 8124.5872
|
||
|
735 -263.593077 0.144E-03 0.342755 0.127E-02 0.006353 0.177E-04 8131.9063
|
||
|
740 -263.593073 0.144E-03 0.342691 0.126E-02 0.006353 0.176E-04 8138.3556
|
||
|
741 -263.593068 0.144E-03 0.342651 0.126E-02 0.006353 0.176E-04 8139.6881
|
||
|
742 -263.593076 0.144E-03 0.342714 0.126E-02 0.006354 0.176E-04 8146.0528
|
||
|
745 -263.593089 0.144E-03 0.342818 0.126E-02 0.006355 0.176E-04 8153.5009
|
||
|
746 -263.593092 0.143E-03 0.342833 0.126E-02 0.006356 0.176E-04 8162.4966
|
||
|
747 -263.593095 0.143E-03 0.342878 0.126E-02 0.006356 0.175E-04 8166.5221
|
||
|
750 -263.593093 0.143E-03 0.342867 0.125E-02 0.006356 0.175E-04 8175.7838
|
||
|
753 -263.593103 0.143E-03 0.342946 0.125E-02 0.006357 0.175E-04 8177.4700
|
||
|
756 -263.593110 0.142E-03 0.343010 0.125E-02 0.006358 0.174E-04 8185.4664
|
||
|
760 -263.593106 0.142E-03 0.343018 0.124E-02 0.006357 0.173E-04 8189.9327
|
||
|
764 -263.593107 0.141E-03 0.343037 0.124E-02 0.006357 0.173E-04 8195.3274
|
||
|
767 -263.593112 0.141E-03 0.343069 0.124E-02 0.006357 0.172E-04 8214.3701
|
||
|
768 -263.593112 0.141E-03 0.343065 0.124E-02 0.006357 0.172E-04 8216.9952
|
||
|
774 -263.593127 0.140E-03 0.343206 0.123E-02 0.006359 0.171E-04 8227.7345
|
||
|
778 -263.593131 0.139E-03 0.343255 0.122E-02 0.006360 0.171E-04 8235.6335
|
||
|
780 -263.593132 0.139E-03 0.343258 0.122E-02 0.006360 0.170E-04 8239.1393
|
||
|
781 -263.593140 0.139E-03 0.343311 0.122E-02 0.006361 0.170E-04 8240.3972
|
||
|
785 -263.593140 0.139E-03 0.343323 0.122E-02 0.006361 0.169E-04 8245.0278
|
||
|
793 -263.593113 0.138E-03 0.343141 0.121E-02 0.006357 0.169E-04 8265.6205
|
||
|
794 -263.593119 0.138E-03 0.343195 0.121E-02 0.006358 0.169E-04 8272.8263
|
||
|
798 -263.593126 0.137E-03 0.343264 0.121E-02 0.006358 0.168E-04 8287.2091
|
||
|
801 -263.593136 0.137E-03 0.343360 0.121E-02 0.006360 0.168E-04 8289.4572
|
||
|
802 -263.593139 0.137E-03 0.343388 0.121E-02 0.006360 0.167E-04 8291.2964
|
||
|
805 -263.593131 0.137E-03 0.343313 0.120E-02 0.006359 0.167E-04 8294.7984
|
||
|
809 -263.593137 0.136E-03 0.343376 0.120E-02 0.006360 0.166E-04 8295.9382
|
||
|
817 -263.593159 0.135E-03 0.343526 0.119E-02 0.006363 0.165E-04 8321.7743
|
||
|
819 -263.593166 0.135E-03 0.343588 0.119E-02 0.006364 0.165E-04 8323.6030
|
||
|
821 -263.593167 0.135E-03 0.343599 0.119E-02 0.006364 0.165E-04 8339.2523
|
||
|
826 -263.593158 0.135E-03 0.343564 0.119E-02 0.006362 0.165E-04 8344.0947
|
||
|
833 -263.593162 0.135E-03 0.343606 0.119E-02 0.006362 0.165E-04 8346.3006
|
||
|
835 -263.593152 0.135E-03 0.343517 0.119E-02 0.006361 0.165E-04 8367.6189
|
||
|
838 -263.593156 0.134E-03 0.343545 0.118E-02 0.006362 0.164E-04 8371.3768
|
||
|
839 -263.593154 0.134E-03 0.343527 0.118E-02 0.006361 0.164E-04 8372.8977
|
||
|
847 -263.593161 0.133E-03 0.343575 0.117E-02 0.006362 0.163E-04 8386.3462
|
||
|
849 -263.593162 0.133E-03 0.343568 0.117E-02 0.006363 0.163E-04 8391.5664
|
||
|
851 -263.593150 0.133E-03 0.343466 0.117E-02 0.006361 0.163E-04 8395.3353
|
||
|
859 -263.593139 0.133E-03 0.343376 0.117E-02 0.006360 0.162E-04 8397.4103
|
||
|
862 -263.593137 0.133E-03 0.343361 0.116E-02 0.006360 0.162E-04 8421.3241
|
||
|
866 -263.593142 0.132E-03 0.343405 0.116E-02 0.006360 0.161E-04 8424.1085
|
||
|
872 -263.593153 0.131E-03 0.343492 0.115E-02 0.006362 0.161E-04 8438.3448
|
||
|
874 -263.593139 0.131E-03 0.343357 0.115E-02 0.006360 0.161E-04 8446.1177
|
||
|
885 -263.593130 0.131E-03 0.343266 0.115E-02 0.006359 0.160E-04 8448.1225
|
||
|
887 -263.593123 0.130E-03 0.343202 0.114E-02 0.006358 0.159E-04 8474.6587
|
||
|
894 -263.593123 0.129E-03 0.343193 0.114E-02 0.006359 0.158E-04 8488.7948
|
||
|
895 -263.593126 0.129E-03 0.343214 0.114E-02 0.006359 0.158E-04 8498.7784
|
||
|
903 -263.593118 0.129E-03 0.343164 0.113E-02 0.006358 0.158E-04 8500.3608
|
||
|
905 -263.593109 0.129E-03 0.343080 0.113E-02 0.006357 0.158E-04 8516.0364
|
||
|
907 -263.593101 0.129E-03 0.343017 0.113E-02 0.006356 0.157E-04 8523.3930
|
||
|
909 -263.593098 0.129E-03 0.342994 0.113E-02 0.006355 0.157E-04 8525.4303
|
||
|
917 -263.593121 0.128E-03 0.343202 0.113E-02 0.006358 0.157E-04 8529.3066
|
||
|
918 -263.593119 0.128E-03 0.343182 0.113E-02 0.006358 0.157E-04 8539.1457
|
||
|
920 -263.593120 0.128E-03 0.343188 0.112E-02 0.006358 0.156E-04 8550.7964
|
||
|
932 -263.593127 0.128E-03 0.343241 0.112E-02 0.006359 0.156E-04 8565.1023
|
||
|
935 -263.593127 0.128E-03 0.343253 0.112E-02 0.006359 0.156E-04 8573.7927
|
||
|
936 -263.593133 0.128E-03 0.343300 0.112E-02 0.006359 0.156E-04 8575.5322
|
||
|
941 -263.593139 0.126E-03 0.343315 0.111E-02 0.006361 0.154E-04 8599.6635
|
||
|
951 -263.593127 0.125E-03 0.343198 0.110E-02 0.006359 0.153E-04 8614.5970
|
||
|
953 -263.593117 0.125E-03 0.343126 0.110E-02 0.006358 0.153E-04 8623.8999
|
||
|
954 -263.593117 0.125E-03 0.343123 0.110E-02 0.006358 0.152E-04 8626.9173
|
||
|
962 -263.593115 0.124E-03 0.343119 0.109E-02 0.006358 0.151E-04 8638.3470
|
||
|
965 -263.593122 0.124E-03 0.343184 0.109E-02 0.006358 0.151E-04 8645.7185
|
||
|
966 -263.593126 0.124E-03 0.343215 0.109E-02 0.006359 0.151E-04 8657.1426
|
||
|
974 -263.593124 0.123E-03 0.343188 0.108E-02 0.006359 0.150E-04 8663.0807
|
||
|
979 -263.593123 0.123E-03 0.343183 0.108E-02 0.006359 0.150E-04 8675.1472
|
||
|
981 -263.593120 0.123E-03 0.343148 0.108E-02 0.006358 0.150E-04 8677.6697
|
||
|
985 -263.593116 0.122E-03 0.343128 0.108E-02 0.006358 0.149E-04 8691.9097
|
||
|
988 -263.593115 0.122E-03 0.343101 0.107E-02 0.006358 0.149E-04 8695.0051
|
||
|
991 -263.593115 0.122E-03 0.343093 0.107E-02 0.006358 0.149E-04 8702.2683
|
||
|
996 -263.593111 0.121E-03 0.343039 0.106E-02 0.006358 0.148E-04 8706.9073
|
||
|
1000 -263.593109 0.121E-03 0.343034 0.106E-02 0.006358 0.147E-04 8711.6556
|
||
|
1004 -263.593104 0.120E-03 0.343000 0.106E-02 0.006357 0.147E-04 8721.5734
|
||
|
1006 -263.593110 0.120E-03 0.343042 0.106E-02 0.006357 0.147E-04 8725.3753
|
||
|
1008 -263.593110 0.120E-03 0.343049 0.106E-02 0.006357 0.147E-04 8730.0073
|
||
|
1019 -263.593101 0.120E-03 0.342999 0.105E-02 0.006356 0.146E-04 8742.3559
|
||
|
1021 -263.593094 0.119E-03 0.342932 0.105E-02 0.006355 0.146E-04 8745.2937
|
||
|
1023 -263.593097 0.119E-03 0.342965 0.105E-02 0.006356 0.146E-04 8755.5975
|
||
|
1027 -263.593099 0.119E-03 0.342975 0.105E-02 0.006356 0.145E-04 8757.0842
|
||
|
1029 -263.593101 0.119E-03 0.342998 0.104E-02 0.006356 0.145E-04 8761.4079
|
||
|
1034 -263.593097 0.118E-03 0.342967 0.104E-02 0.006356 0.145E-04 8763.3901
|
||
|
1036 -263.593102 0.118E-03 0.342999 0.104E-02 0.006356 0.144E-04 8771.6586
|
||
|
1039 -263.593097 0.118E-03 0.342956 0.104E-02 0.006356 0.144E-04 8776.0583
|
||
|
1040 -263.593103 0.118E-03 0.343011 0.104E-02 0.006356 0.144E-04 8777.4708
|
||
|
1042 -263.593107 0.117E-03 0.343036 0.102E-02 0.006357 0.143E-04 8780.5434
|
||
|
1047 -263.593110 0.116E-03 0.343069 0.102E-02 0.006357 0.142E-04 8799.4958
|
||
|
1056 -263.593113 0.116E-03 0.343115 0.102E-02 0.006357 0.141E-04 8802.4336
|
||
|
1057 -263.593111 0.116E-03 0.343108 0.102E-02 0.006357 0.141E-04 8810.6284
|
||
|
1068 -263.593104 0.115E-03 0.343042 0.101E-02 0.006356 0.140E-04 8821.6671
|
||
|
1070 -263.593111 0.115E-03 0.343102 0.101E-02 0.006357 0.140E-04 8825.9356
|
||
|
1071 -263.593107 0.115E-03 0.343074 0.101E-02 0.006356 0.140E-04 8839.1648
|
||
|
1078 -263.593111 0.114E-03 0.343134 0.101E-02 0.006356 0.140E-04 8843.4543
|
||
|
1081 -263.593105 0.114E-03 0.343077 0.100E-02 0.006356 0.140E-04 8849.9170
|
||
|
1082 -263.593110 0.114E-03 0.343117 0.100E-02 0.006356 0.140E-04 8852.7371
|
||
|
1089 -263.593115 0.114E-03 0.343135 0.100E-02 0.006357 0.139E-04 8860.1028
|
||
|
1093 -263.593123 0.114E-03 0.343203 0.100E-02 0.006358 0.139E-04 8871.8395
|
||
|
1096 -263.593122 0.114E-03 0.343197 0.100E-02 0.006358 0.139E-04 8876.3701
|
||
|
1099 -263.593125 0.114E-03 0.343218 0.999E-03 0.006358 0.139E-04 8881.7287
|
||
|
1104 -263.593142 0.114E-03 0.343355 0.100E-02 0.006361 0.139E-04 8890.1500
|
||
|
1107 -263.593135 0.114E-03 0.343289 0.999E-03 0.006360 0.139E-04 8892.2107
|
||
|
1110 -263.593133 0.113E-03 0.343260 0.997E-03 0.006360 0.139E-04 8907.6046
|
||
|
1117 -263.593143 0.113E-03 0.343378 0.993E-03 0.006361 0.138E-04 8910.2127
|
||
|
1123 -263.593147 0.112E-03 0.343407 0.989E-03 0.006361 0.137E-04 8921.9893
|
||
|
1125 -263.593144 0.112E-03 0.343405 0.988E-03 0.006361 0.137E-04 8926.4875
|
||
|
1127 -263.593157 0.113E-03 0.343532 0.991E-03 0.006362 0.137E-04 8931.8577
|
||
|
1130 -263.593156 0.112E-03 0.343530 0.989E-03 0.006362 0.137E-04 8941.5883
|
||
|
1132 -263.593152 0.112E-03 0.343500 0.988E-03 0.006361 0.137E-04 8943.9419
|
||
|
1138 -263.593143 0.112E-03 0.343417 0.987E-03 0.006360 0.137E-04 8950.5051
|
||
|
1139 -263.593151 0.112E-03 0.343477 0.988E-03 0.006361 0.137E-04 8951.8481
|
||
|
1143 -263.593148 0.112E-03 0.343438 0.985E-03 0.006361 0.137E-04 8956.2495
|
||
|
1144 -263.593150 0.112E-03 0.343460 0.984E-03 0.006361 0.137E-04 8959.6622
|
||
|
1151 -263.593182 0.112E-03 0.343717 0.985E-03 0.006365 0.136E-04 8978.0596
|
||
|
1158 -263.593169 0.111E-03 0.343635 0.981E-03 0.006364 0.136E-04 8983.6140
|
||
|
1163 -263.593166 0.111E-03 0.343610 0.978E-03 0.006363 0.135E-04 8996.9422
|
||
|
1167 -263.593146 0.111E-03 0.343448 0.979E-03 0.006361 0.135E-04 9002.8788
|
||
|
1170 -263.593141 0.111E-03 0.343405 0.979E-03 0.006360 0.135E-04 9005.4722
|
||
|
1171 -263.593136 0.111E-03 0.343358 0.979E-03 0.006359 0.135E-04 9023.6315
|
||
|
1184 -263.593160 0.111E-03 0.343587 0.975E-03 0.006362 0.135E-04 9029.0911
|
||
|
1187 -263.593164 0.110E-03 0.343619 0.973E-03 0.006363 0.135E-04 9033.8448
|
||
|
1192 -263.593158 0.110E-03 0.343578 0.970E-03 0.006362 0.134E-04 9044.5238
|
||
|
1193 -263.593163 0.110E-03 0.343620 0.970E-03 0.006362 0.134E-04 9050.2875
|
||
|
1196 -263.593162 0.110E-03 0.343609 0.970E-03 0.006362 0.134E-04 9056.2988
|
||
|
1202 -263.593167 0.110E-03 0.343645 0.966E-03 0.006363 0.134E-04 9065.1352
|
||
|
1207 -263.593170 0.109E-03 0.343675 0.963E-03 0.006363 0.133E-04 9073.0225
|
||
|
1210 -263.593172 0.109E-03 0.343682 0.962E-03 0.006363 0.133E-04 9077.2290
|
||
|
1211 -263.593176 0.109E-03 0.343715 0.962E-03 0.006364 0.133E-04 9080.4388
|
||
|
1216 -263.593176 0.109E-03 0.343715 0.960E-03 0.006364 0.133E-04 9084.1859
|
||
|
1225 -263.593168 0.109E-03 0.343653 0.957E-03 0.006363 0.133E-04 9094.7802
|
||
|
1227 -263.593167 0.109E-03 0.343643 0.955E-03 0.006363 0.133E-04 9096.9675
|
||
|
1228 -263.593166 0.108E-03 0.343633 0.955E-03 0.006363 0.132E-04 9099.9187
|
||
|
1229 -263.593165 0.108E-03 0.343626 0.954E-03 0.006362 0.132E-04 9102.7026
|
||
|
1231 -263.593166 0.108E-03 0.343641 0.953E-03 0.006363 0.132E-04 9108.3515
|
||
|
1236 -263.593166 0.108E-03 0.343657 0.952E-03 0.006362 0.132E-04 9112.3090
|
||
|
1238 -263.593173 0.108E-03 0.343718 0.951E-03 0.006363 0.132E-04 9114.1593
|
||
|
1242 -263.593170 0.108E-03 0.343695 0.948E-03 0.006363 0.131E-04 9123.5753
|
||
|
1245 -263.593169 0.108E-03 0.343684 0.947E-03 0.006362 0.131E-04 9127.1667
|
||
|
1246 -263.593171 0.108E-03 0.343712 0.946E-03 0.006363 0.131E-04 9130.2766
|
||
|
1249 -263.593170 0.107E-03 0.343715 0.945E-03 0.006362 0.131E-04 9135.6194
|
||
|
1255 -263.593165 0.105E-03 0.343666 0.928E-03 0.006362 0.129E-04 9145.3018
|
||
|
1257 -263.593166 0.105E-03 0.343682 0.927E-03 0.006362 0.128E-04 9151.8149
|
||
|
1263 -263.593150 0.105E-03 0.343561 0.924E-03 0.006360 0.128E-04 9157.7371
|
||
|
1267 -263.593143 0.105E-03 0.343494 0.923E-03 0.006359 0.128E-04 9163.3189
|
||
|
1274 -263.593153 0.105E-03 0.343616 0.922E-03 0.006360 0.128E-04 9173.3969
|
||
|
1276 -263.593157 0.105E-03 0.343664 0.921E-03 0.006360 0.127E-04 9177.1576
|
||
|
1277 -263.593157 0.104E-03 0.343659 0.921E-03 0.006360 0.127E-04 9179.7999
|
||
|
1279 -263.593152 0.104E-03 0.343619 0.920E-03 0.006360 0.127E-04 9187.0364
|
||
|
1286 -263.593148 0.104E-03 0.343591 0.917E-03 0.006359 0.127E-04 9195.0267
|
||
|
1289 -263.593147 0.104E-03 0.343565 0.915E-03 0.006359 0.127E-04 9200.3791
|
||
|
1292 -263.593148 0.104E-03 0.343587 0.913E-03 0.006359 0.126E-04 9202.2413
|
||
|
1297 -263.593151 0.103E-03 0.343601 0.910E-03 0.006359 0.126E-04 9208.0387
|
||
|
1300 -263.593143 0.103E-03 0.343534 0.909E-03 0.006359 0.126E-04 9213.2941
|
||
|
1306 -263.593149 0.103E-03 0.343581 0.906E-03 0.006359 0.125E-04 9226.1634
|
||
|
1313 -263.593149 0.102E-03 0.343579 0.903E-03 0.006359 0.125E-04 9230.8800
|
||
|
1318 -263.593159 0.102E-03 0.343656 0.903E-03 0.006361 0.125E-04 9238.4998
|
||
|
1324 -263.593160 0.102E-03 0.343677 0.901E-03 0.006361 0.125E-04 9244.8248
|
||
|
1328 -263.593168 0.102E-03 0.343751 0.901E-03 0.006361 0.125E-04 9249.7023
|
||
|
1329 -263.593162 0.102E-03 0.343700 0.902E-03 0.006361 0.125E-04 9258.3014
|
||
|
1337 -263.593161 0.102E-03 0.343682 0.898E-03 0.006361 0.124E-04 9263.6606
|
||
|
1347 -263.593161 0.101E-03 0.343689 0.892E-03 0.006361 0.123E-04 9276.8466
|
||
|
1349 -263.593168 0.101E-03 0.343743 0.892E-03 0.006361 0.123E-04 9280.8683
|
||
|
1356 -263.593170 0.101E-03 0.343764 0.888E-03 0.006362 0.123E-04 9289.2764
|
||
|
1361 -263.593176 0.100E-03 0.343811 0.885E-03 0.006362 0.123E-04 9299.3188
|
||
|
1366 -263.593175 0.100E-03 0.343824 0.883E-03 0.006362 0.122E-04 9301.3308
|
||
|
1369 -263.593182 0.100E-03 0.343867 0.883E-03 0.006363 0.122E-04 9312.9329
|
||
|
1373 -263.593191 0.100E-03 0.343954 0.882E-03 0.006364 0.122E-04 9317.0200
|
||
|
1382 -263.593189 0.988E-04 0.343922 0.873E-03 0.006364 0.120E-04 9327.5200
|
||
|
1384 -263.593186 0.986E-04 0.343911 0.871E-03 0.006364 0.120E-04 9330.2076
|
||
|
1390 -263.593183 0.986E-04 0.343885 0.870E-03 0.006363 0.120E-04 9339.1443
|
||
|
1398 -263.593181 0.985E-04 0.343859 0.869E-03 0.006363 0.120E-04 9351.9867
|
||
|
1403 -263.593179 0.983E-04 0.343858 0.867E-03 0.006363 0.120E-04 9359.8224
|
||
|
1406 -263.593185 0.982E-04 0.343902 0.866E-03 0.006364 0.120E-04 9362.8149
|
||
|
1410 -263.593188 0.979E-04 0.343911 0.864E-03 0.006364 0.119E-04 9366.6068
|
||
|
1417 -263.593188 0.975E-04 0.343923 0.860E-03 0.006364 0.119E-04 9377.4715
|
||
|
1419 -263.593191 0.974E-04 0.343954 0.859E-03 0.006364 0.119E-04 9382.0563
|
||
|
1427 -263.593202 0.970E-04 0.344072 0.856E-03 0.006365 0.118E-04 9388.7812
|
||
|
1432 -263.593205 0.968E-04 0.344107 0.854E-03 0.006365 0.118E-04 9398.3886
|
||
|
1434 -263.593209 0.967E-04 0.344151 0.854E-03 0.006366 0.118E-04 9401.5268
|
||
|
1441 -263.593210 0.964E-04 0.344158 0.851E-03 0.006366 0.118E-04 9411.5734
|
||
|
1444 -263.593209 0.962E-04 0.344152 0.850E-03 0.006366 0.117E-04 9413.7876
|
||
|
1447 -263.593206 0.962E-04 0.344126 0.849E-03 0.006365 0.117E-04 9416.5683
|
||
|
1456 -263.593194 0.958E-04 0.344026 0.846E-03 0.006364 0.117E-04 9430.5022
|
||
|
1466 -263.593200 0.954E-04 0.344096 0.842E-03 0.006365 0.116E-04 9445.2880
|
||
|
1474 -263.593193 0.953E-04 0.344032 0.841E-03 0.006364 0.116E-04 9448.8210
|
||
|
1477 -263.593200 0.954E-04 0.344091 0.842E-03 0.006365 0.116E-04 9450.7700
|
||
|
1486 -263.593202 0.950E-04 0.344109 0.839E-03 0.006365 0.116E-04 9461.3981
|
||
|
1487 -263.593200 0.950E-04 0.344088 0.838E-03 0.006365 0.116E-04 9462.9747
|
||
|
1490 -263.593192 0.949E-04 0.344027 0.838E-03 0.006364 0.116E-04 9466.5704
|
||
|
1500 -263.593180 0.945E-04 0.343907 0.834E-03 0.006362 0.115E-04 9477.9690
|
||
|
1501 -263.593179 0.945E-04 0.343906 0.833E-03 0.006362 0.115E-04 9481.1947
|
||
|
1517 -263.593189 0.931E-04 0.343951 0.821E-03 0.006364 0.114E-04 9494.8727
|
||
|
1520 -263.593186 0.930E-04 0.343922 0.820E-03 0.006364 0.113E-04 9502.3550
|
||
|
1529 -263.593176 0.928E-04 0.343825 0.818E-03 0.006362 0.113E-04 9515.5099
|
||
|
1543 -263.593154 0.924E-04 0.343623 0.814E-03 0.006360 0.113E-04 9531.0742
|
||
|
1558 -263.593156 0.921E-04 0.343633 0.811E-03 0.006360 0.112E-04 9544.7402
|
||
|
1565 -263.593155 0.918E-04 0.343615 0.809E-03 0.006360 0.112E-04 9550.0724
|
||
|
1566 -263.593159 0.918E-04 0.343654 0.809E-03 0.006361 0.112E-04 9555.3269
|
||
|
1567 -263.593157 0.918E-04 0.343644 0.809E-03 0.006360 0.112E-04 9557.7337
|
||
|
1575 -263.593156 0.914E-04 0.343633 0.806E-03 0.006360 0.112E-04 9562.2065
|
||
|
1576 -263.593155 0.914E-04 0.343625 0.805E-03 0.006360 0.112E-04 9568.2037
|
||
|
1595 -263.593143 0.908E-04 0.343490 0.800E-03 0.006359 0.111E-04 9580.8045
|
||
|
1596 -263.593142 0.908E-04 0.343485 0.800E-03 0.006359 0.111E-04 9600.5381
|
||
|
1616 -263.593135 0.902E-04 0.343445 0.795E-03 0.006358 0.110E-04 9603.1067
|
||
|
1626 -263.593133 0.897E-04 0.343447 0.791E-03 0.006357 0.109E-04 9604.9228
|
||
|
1628 -263.593131 0.897E-04 0.343420 0.790E-03 0.006357 0.109E-04 9606.3478
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
6.357374241901459E-003
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 11.007484 GB ] [ VIRT MEM : 21.546539 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 179032.319861 s ] [ CPU TIME: 9158189.354531 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 10485740
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 11.005085 GB ] [ VIRT MEM : 21.544552 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 179032.564049 s ] [ CPU TIME: 9158189.597938 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 10485740
|
||
|
* pt2_n_tasks_max 870
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.9484842007764850
|
||
|
|
||
|
Summary at N_det = 10485760
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.54755515
|
||
|
# PT2 -0.04558036 0.00008950
|
||
|
# rPT2 -0.04529242 0.00008894
|
||
|
#
|
||
|
# E+PT2 -263.59313552 0.00008950
|
||
|
# E+rPT2 -263.59284758 0.00008894
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 10485760
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 3.364337174796352E-003
|
||
|
E = -263.547555154755
|
||
|
Variance = 0.343488234788729 +/- 7.893501635958099E-004
|
||
|
PT norm = 7.973314393589066E-002 +/- 6.847128563573712E-005
|
||
|
PT2 = -4.558036251990462E-002 +/- 8.950373570271040E-005
|
||
|
rPT2 = -4.529242164518418E-002 +/- 8.893832150843472E-005
|
||
|
E+PT2 = -263.593135517275 +/- 8.950373570271040E-005
|
||
|
E+rPT2 = -263.592847576400 +/- 8.893832150843472E-005
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.62741484676
|
||
|
Vee = 296.466026421274
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.362293050289
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.0524 -263.61483205
|
||
|
-0.0602 -263.61516844
|
||
|
-0.0691 -263.61386174
|
||
|
-0.0788 -263.61318246
|
||
|
-0.0896 -263.61244868
|
||
|
-0.1016 -263.61211354
|
||
|
-0.1155 -263.61173582
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 1092984
|
||
|
* Number of unique beta determinants 1092794
|
||
|
|
||
|
.. >>>>> [ RES MEM : 14.465645 GB ] [ VIRT MEM : 24.945423 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 179632.868862 s ] [ CPU TIME: 9161818.921988 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 20971520
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 35.11214447394013
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.5475551547 0.003364 0.143E-02
|
||
|
1 -263.5569142312 0.002905 0.114E-03
|
||
|
2 -263.5571092165 0.002922 0.867E-05
|
||
|
3 -263.5571350281 0.002943 0.148E-05
|
||
|
4 -263.5571405768 0.002944 0.399E-06
|
||
|
5 -263.5571419693 0.002938 0.828E-07
|
||
|
6 -263.5571422949 0.002935 0.227E-07
|
||
|
7 -263.5571423812 0.002935 0.576E-08
|
||
|
8 -263.5571424044 0.002934 0.181E-08
|
||
|
9 -263.5571424109 0.002934 0.475E-09
|
||
|
10 -263.5571424128 0.002934 0.134E-09
|
||
|
11 -263.5571424133 0.002934 0.334E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 37.282337 GB ] [ VIRT MEM : 50.558731 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 183885.398305 s ] [ CPU TIME: 9178251.435883 s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 14.313599 GB ] [ VIRT MEM : 24.775021 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 183888.046058 s ] [ CPU TIME: 9178254.055966 s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.5571424132982
|
||
|
* S^2 of state 1 0.2934116322372235E-02
|
||
|
* Saved determinants 20971520
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 14.306019 GB ] [ VIRT MEM : 24.775021 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 184024.714822 s ] [ CPU TIME: 9179191.111621 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 20971486
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 14.339401 GB ] [ VIRT MEM : 25.029095 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 184037.111571 s ] [ CPU TIME: 9179456.863513 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 20971486
|
||
|
* pt2_n_tasks_max 870
|
||
|
* PT2 Energy denominator -263.5571424132982
|
||
|
|
||
|
.. >>>>> [ RES MEM : 17.416603 GB ] [ VIRT MEM : 28.019794 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 184050.670530 s ] [ CPU TIME: 9180494.711853 s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 20971486
|
||
|
* Number of comb teeth 100
|
||
|
|
||
|
.. >>>>> [ RES MEM : 17.416603 GB ] [ VIRT MEM : 28.019794 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 184051.120430 s ] [ CPU TIME: 9180495.161499 s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 20971486
|
||
|
* pt2_n_tasks_max 870
|
||
|
* Number of tasks 21679662
|
||
|
* Number of fragmented tasks 12677
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 60.30091792054474
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.594259 0.470E-03 0.290801 0.319E-02 0.005005 0.858E-04 2095.7100
|
||
|
4 -263.595637 0.154E-02 0.302300 0.128E-01 0.005180 0.201E-03 2480.9594
|
||
|
5 -263.596141 0.129E-02 0.306206 0.105E-01 0.005243 0.166E-03 2794.5843
|
||
|
6 -263.596354 0.106E-02 0.309006 0.897E-02 0.005259 0.135E-03 3117.6671
|
||
|
7 -263.596612 0.927E-03 0.310464 0.767E-02 0.005297 0.120E-03 3360.8292
|
||
|
8 -263.597324 0.109E-02 0.317261 0.966E-02 0.005368 0.126E-03 3684.4097
|
||
|
9 -263.596980 0.102E-02 0.312873 0.954E-02 0.005344 0.114E-03 3967.2261
|
||
|
10 -263.596893 0.911E-03 0.311290 0.868E-02 0.005343 0.102E-03 4031.9157
|
||
|
11 -263.596450 0.938E-03 0.306931 0.900E-02 0.005298 0.102E-03 4087.4046
|
||
|
12 -263.596279 0.872E-03 0.307099 0.818E-02 0.005259 0.102E-03 4258.2330
|
||
|
13 -263.596689 0.904E-03 0.310648 0.834E-02 0.005308 0.106E-03 4317.7175
|
||
|
14 -263.596583 0.842E-03 0.309395 0.781E-02 0.005297 0.988E-04 4456.6450
|
||
|
15 -263.596833 0.823E-03 0.310068 0.729E-02 0.005350 0.106E-03 4591.9994
|
||
|
17 -263.596355 0.831E-03 0.306333 0.731E-02 0.005287 0.106E-03 4658.0685
|
||
|
18 -263.596230 0.793E-03 0.304969 0.702E-02 0.005275 0.100E-03 4735.9495
|
||
|
19 -263.596615 0.841E-03 0.309061 0.776E-02 0.005312 0.102E-03 4967.2173
|
||
|
20 -263.596774 0.813E-03 0.310772 0.756E-02 0.005327 0.978E-04 5174.7286
|
||
|
21 -263.596847 0.775E-03 0.311745 0.723E-02 0.005330 0.931E-04 5193.8556
|
||
|
22 -263.596816 0.739E-03 0.311976 0.689E-02 0.005321 0.892E-04 5292.8983
|
||
|
23 -263.596484 0.781E-03 0.308778 0.733E-02 0.005284 0.927E-04 5321.6099
|
||
|
24 -263.596312 0.768E-03 0.306753 0.731E-02 0.005273 0.895E-04 5426.1519
|
||
|
25 -263.596115 0.763E-03 0.304744 0.730E-02 0.005252 0.883E-04 5477.5918
|
||
|
26 -263.596168 0.733E-03 0.305377 0.702E-02 0.005257 0.849E-04 5509.4760
|
||
|
27 -263.596280 0.714E-03 0.306038 0.678E-02 0.005275 0.838E-04 5723.9617
|
||
|
28 -263.596114 0.708E-03 0.304698 0.667E-02 0.005254 0.836E-04 5903.9484
|
||
|
29 -263.596189 0.689E-03 0.305640 0.652E-02 0.005257 0.807E-04 6035.2079
|
||
|
30 -263.596230 0.668E-03 0.305894 0.632E-02 0.005264 0.781E-04 6214.6449
|
||
|
31 -263.596064 0.667E-03 0.304362 0.631E-02 0.005246 0.777E-04 6248.2466
|
||
|
32 -263.596062 0.645E-03 0.304295 0.610E-02 0.005247 0.752E-04 6373.0596
|
||
|
33 -263.595956 0.634E-03 0.303634 0.595E-02 0.005230 0.747E-04 6416.5602
|
||
|
34 -263.596214 0.667E-03 0.305456 0.605E-02 0.005266 0.808E-04 6571.6898
|
||
|
35 -263.596083 0.660E-03 0.304209 0.600E-02 0.005252 0.796E-04 6607.3705
|
||
|
36 -263.596076 0.642E-03 0.304185 0.583E-02 0.005251 0.774E-04 6679.2295
|
||
|
37 -263.595995 0.628E-03 0.303559 0.570E-02 0.005240 0.759E-04 6697.7740
|
||
|
38 -263.595827 0.634E-03 0.301919 0.579E-02 0.005223 0.759E-04 6742.2161
|
||
|
39 -263.595981 0.636E-03 0.303245 0.580E-02 0.005241 0.758E-04 6772.0606
|
||
|
40 -263.595970 0.620E-03 0.302888 0.566E-02 0.005244 0.739E-04 6817.8092
|
||
|
41 -263.596019 0.607E-03 0.303556 0.556E-02 0.005246 0.721E-04 6903.2419
|
||
|
42 -263.595976 0.594E-03 0.302894 0.547E-02 0.005245 0.704E-04 7006.7042
|
||
|
43 -263.595783 0.611E-03 0.301210 0.559E-02 0.005222 0.727E-04 7126.6779
|
||
|
44 -263.595641 0.614E-03 0.300053 0.559E-02 0.005204 0.731E-04 7160.3531
|
||
|
45 -263.595657 0.600E-03 0.300260 0.546E-02 0.005205 0.715E-04 7199.3618
|
||
|
46 -263.595874 0.627E-03 0.302203 0.569E-02 0.005230 0.744E-04 7241.8144
|
||
|
47 -263.595901 0.614E-03 0.302304 0.557E-02 0.005235 0.730E-04 7318.0969
|
||
|
48 -263.595858 0.603E-03 0.301742 0.548E-02 0.005232 0.715E-04 7354.6166
|
||
|
49 -263.595960 0.600E-03 0.302658 0.544E-02 0.005244 0.714E-04 7396.0597
|
||
|
50 -263.595802 0.609E-03 0.301112 0.555E-02 0.005228 0.719E-04 7457.5695
|
||
|
51 -263.595763 0.598E-03 0.300701 0.545E-02 0.005224 0.705E-04 7512.2983
|
||
|
52 -263.595775 0.587E-03 0.300901 0.535E-02 0.005224 0.692E-04 7546.2539
|
||
|
53 -263.595772 0.576E-03 0.300848 0.525E-02 0.005224 0.679E-04 7579.8304
|
||
|
54 -263.595839 0.569E-03 0.301524 0.520E-02 0.005231 0.670E-04 7636.9134
|
||
|
55 -263.595732 0.571E-03 0.300643 0.520E-02 0.005217 0.675E-04 7680.4858
|
||
|
56 -263.595741 0.561E-03 0.300607 0.511E-02 0.005219 0.663E-04 7712.2468
|
||
|
58 -263.595611 0.553E-03 0.299140 0.507E-02 0.005209 0.650E-04 7758.2178
|
||
|
59 -263.595635 0.544E-03 0.299269 0.498E-02 0.005213 0.640E-04 7765.3253
|
||
|
60 -263.595696 0.539E-03 0.299803 0.493E-02 0.005220 0.634E-04 7775.1215
|
||
|
61 -263.595667 0.531E-03 0.299461 0.486E-02 0.005218 0.624E-04 7803.8724
|
||
|
62 -263.595584 0.529E-03 0.298628 0.485E-02 0.005210 0.619E-04 7843.4196
|
||
|
63 -263.595656 0.526E-03 0.299275 0.483E-02 0.005218 0.615E-04 7891.3687
|
||
|
64 -263.595691 0.519E-03 0.299598 0.477E-02 0.005221 0.606E-04 7907.0225
|
||
|
67 -263.595707 0.510E-03 0.299706 0.472E-02 0.005224 0.591E-04 7936.6984
|
||
|
68 -263.595681 0.503E-03 0.299534 0.466E-02 0.005220 0.583E-04 7964.6587
|
||
|
69 -263.595654 0.496E-03 0.299331 0.459E-02 0.005217 0.575E-04 7990.7082
|
||
|
71 -263.595715 0.484E-03 0.299698 0.447E-02 0.005226 0.564E-04 8039.0814
|
||
|
72 -263.595789 0.483E-03 0.300499 0.448E-02 0.005233 0.560E-04 8059.6029
|
||
|
74 -263.595776 0.484E-03 0.300489 0.450E-02 0.005229 0.557E-04 8123.2332
|
||
|
75 -263.595808 0.479E-03 0.300787 0.445E-02 0.005233 0.554E-04 8134.2642
|
||
|
76 -263.595777 0.474E-03 0.300729 0.439E-02 0.005226 0.551E-04 8152.7089
|
||
|
77 -263.595750 0.469E-03 0.300498 0.434E-02 0.005222 0.544E-04 8204.1793
|
||
|
78 -263.595741 0.462E-03 0.300563 0.427E-02 0.005219 0.539E-04 8228.8982
|
||
|
79 -263.595701 0.458E-03 0.300141 0.424E-02 0.005215 0.534E-04 8247.5346
|
||
|
80 -263.595653 0.455E-03 0.299655 0.421E-02 0.005210 0.529E-04 8292.7767
|
||
|
81 -263.595640 0.450E-03 0.299610 0.416E-02 0.005208 0.523E-04 8300.7186
|
||
|
82 -263.595639 0.444E-03 0.299666 0.411E-02 0.005206 0.517E-04 8340.9695
|
||
|
84 -263.595666 0.434E-03 0.299786 0.402E-02 0.005211 0.506E-04 8385.1778
|
||
|
85 -263.595591 0.435E-03 0.299076 0.403E-02 0.005203 0.506E-04 8410.2194
|
||
|
86 -263.595647 0.434E-03 0.299473 0.400E-02 0.005211 0.506E-04 8446.9824
|
||
|
87 -263.595718 0.435E-03 0.300265 0.404E-02 0.005218 0.504E-04 8478.7222
|
||
|
88 -263.595744 0.431E-03 0.300514 0.400E-02 0.005220 0.499E-04 8485.9171
|
||
|
89 -263.595716 0.427E-03 0.300287 0.396E-02 0.005217 0.494E-04 8508.3445
|
||
|
91 -263.595792 0.422E-03 0.300937 0.391E-02 0.005226 0.488E-04 8549.0105
|
||
|
92 -263.595716 0.424E-03 0.300191 0.394E-02 0.005218 0.490E-04 8584.9471
|
||
|
93 -263.595737 0.420E-03 0.300339 0.390E-02 0.005222 0.486E-04 8618.6659
|
||
|
95 -263.595659 0.417E-03 0.299615 0.387E-02 0.005213 0.482E-04 8632.2706
|
||
|
96 -263.595670 0.413E-03 0.299724 0.383E-02 0.005214 0.477E-04 8660.6538
|
||
|
97 -263.595611 0.413E-03 0.299306 0.382E-02 0.005205 0.480E-04 8695.5937
|
||
|
98 -263.595573 0.411E-03 0.298984 0.379E-02 0.005200 0.478E-04 8710.8298
|
||
|
100 -263.595537 0.411E-03 0.298585 0.381E-02 0.005197 0.476E-04 8723.9140
|
||
|
101 -263.595503 0.409E-03 0.298315 0.378E-02 0.005193 0.474E-04 8752.2629
|
||
|
103 -263.595564 0.403E-03 0.298780 0.373E-02 0.005201 0.468E-04 8791.8174
|
||
|
104 -263.595552 0.400E-03 0.298610 0.370E-02 0.005200 0.464E-04 8816.3971
|
||
|
105 -263.595616 0.401E-03 0.299124 0.370E-02 0.005208 0.466E-04 8858.9128
|
||
|
106 -263.595681 0.401E-03 0.299702 0.369E-02 0.005215 0.467E-04 8873.8887
|
||
|
107 -263.595617 0.402E-03 0.299109 0.371E-02 0.005208 0.468E-04 8885.7194
|
||
|
108 -263.595593 0.399E-03 0.298848 0.368E-02 0.005206 0.464E-04 8893.3604
|
||
|
109 -263.595603 0.396E-03 0.298955 0.365E-02 0.005207 0.459E-04 8908.1456
|
||
|
111 -263.595571 0.391E-03 0.298739 0.360E-02 0.005202 0.456E-04 8951.2555
|
||
|
112 -263.595601 0.389E-03 0.299009 0.358E-02 0.005206 0.453E-04 8986.5435
|
||
|
113 -263.595624 0.386E-03 0.299124 0.354E-02 0.005210 0.452E-04 9000.3398
|
||
|
114 -263.595627 0.383E-03 0.299081 0.351E-02 0.005211 0.449E-04 9041.9689
|
||
|
115 -263.595619 0.380E-03 0.299019 0.348E-02 0.005210 0.445E-04 9060.4309
|
||
|
117 -263.595699 0.378E-03 0.299838 0.348E-02 0.005218 0.441E-04 9080.2160
|
||
|
118 -263.595759 0.379E-03 0.300307 0.348E-02 0.005226 0.444E-04 9093.4855
|
||
|
120 -263.595738 0.376E-03 0.300084 0.346E-02 0.005224 0.439E-04 9132.8722
|
||
|
121 -263.595720 0.373E-03 0.299919 0.343E-02 0.005222 0.435E-04 9152.0416
|
||
|
122 -263.595665 0.374E-03 0.299432 0.344E-02 0.005216 0.437E-04 9179.3408
|
||
|
123 -263.595732 0.377E-03 0.299993 0.345E-02 0.005224 0.441E-04 9213.1888
|
||
|
124 -263.595709 0.374E-03 0.299754 0.343E-02 0.005222 0.438E-04 9243.4175
|
||
|
125 -263.595665 0.374E-03 0.299384 0.343E-02 0.005217 0.438E-04 9275.5765
|
||
|
126 -263.595694 0.372E-03 0.299725 0.342E-02 0.005219 0.435E-04 9313.7789
|
||
|
127 -263.595705 0.369E-03 0.299806 0.339E-02 0.005220 0.432E-04 9335.5463
|
||
|
128 -263.595670 0.368E-03 0.299531 0.337E-02 0.005215 0.431E-04 9366.2898
|
||
|
131 -263.595592 0.367E-03 0.298720 0.337E-02 0.005208 0.429E-04 9404.7345
|
||
|
134 -263.595576 0.361E-03 0.298520 0.331E-02 0.005207 0.421E-04 9440.8316
|
||
|
135 -263.595517 0.363E-03 0.298022 0.332E-02 0.005200 0.424E-04 9458.1622
|
||
|
136 -263.595580 0.365E-03 0.298529 0.334E-02 0.005208 0.428E-04 9487.1492
|
||
|
137 -263.595619 0.365E-03 0.298884 0.333E-02 0.005212 0.427E-04 9519.3255
|
||
|
138 -263.595594 0.363E-03 0.298615 0.332E-02 0.005210 0.424E-04 9549.4900
|
||
|
141 -263.595590 0.359E-03 0.298651 0.328E-02 0.005208 0.420E-04 9587.9505
|
||
|
142 -263.595592 0.357E-03 0.298548 0.326E-02 0.005210 0.418E-04 9610.9129
|
||
|
143 -263.595597 0.353E-03 0.298649 0.323E-02 0.005210 0.414E-04 9641.9399
|
||
|
144 -263.595606 0.351E-03 0.298812 0.321E-02 0.005209 0.412E-04 9666.3127
|
||
|
145 -263.595567 0.351E-03 0.298409 0.321E-02 0.005206 0.410E-04 9671.2214
|
||
|
146 -263.595592 0.349E-03 0.298672 0.320E-02 0.005208 0.408E-04 9679.4443
|
||
|
147 -263.595613 0.347E-03 0.298871 0.319E-02 0.005210 0.406E-04 9731.2072
|
||
|
148 -263.595621 0.345E-03 0.298945 0.316E-02 0.005211 0.403E-04 9733.8653
|
||
|
149 -263.595606 0.343E-03 0.298818 0.315E-02 0.005209 0.401E-04 9769.9062
|
||
|
151 -263.595652 0.340E-03 0.299166 0.311E-02 0.005215 0.399E-04 9806.0092
|
||
|
152 -263.595641 0.338E-03 0.299038 0.310E-02 0.005214 0.396E-04 9826.3661
|
||
|
153 -263.595628 0.336E-03 0.298808 0.308E-02 0.005215 0.395E-04 9861.0094
|
||
|
154 -263.595654 0.335E-03 0.298995 0.306E-02 0.005218 0.394E-04 9896.3460
|
||
|
155 -263.595652 0.333E-03 0.298944 0.304E-02 0.005218 0.391E-04 9930.8806
|
||
|
156 -263.595673 0.331E-03 0.299140 0.303E-02 0.005220 0.389E-04 9950.4254
|
||
|
157 -263.595612 0.335E-03 0.298616 0.306E-02 0.005213 0.394E-04 9977.3546
|
||
|
158 -263.595606 0.333E-03 0.298582 0.304E-02 0.005212 0.391E-04 9985.9110
|
||
|
159 -263.595596 0.331E-03 0.298485 0.302E-02 0.005211 0.389E-04 10007.1510
|
||
|
160 -263.595621 0.330E-03 0.298721 0.301E-02 0.005213 0.388E-04 10042.2659
|
||
|
162 -263.595666 0.327E-03 0.299096 0.298E-02 0.005219 0.385E-04 10068.6521
|
||
|
163 -263.595656 0.325E-03 0.298940 0.297E-02 0.005219 0.383E-04 10102.7474
|
||
|
165 -263.595686 0.323E-03 0.299200 0.294E-02 0.005222 0.379E-04 10133.6699
|
||
|
168 -263.595677 0.320E-03 0.299066 0.292E-02 0.005222 0.375E-04 10167.5488
|
||
|
169 -263.595682 0.318E-03 0.299094 0.291E-02 0.005223 0.373E-04 10201.1850
|
||
|
170 -263.595664 0.316E-03 0.298926 0.289E-02 0.005221 0.371E-04 10224.5152
|
||
|
171 -263.595653 0.315E-03 0.298810 0.288E-02 0.005220 0.369E-04 10259.7629
|
||
|
172 -263.595613 0.316E-03 0.298412 0.289E-02 0.005216 0.370E-04 10292.4695
|
||
|
173 -263.595579 0.315E-03 0.298176 0.288E-02 0.005210 0.369E-04 10306.1500
|
||
|
174 -263.595568 0.314E-03 0.298146 0.287E-02 0.005208 0.368E-04 10316.4920
|
||
|
175 -263.595563 0.312E-03 0.298119 0.285E-02 0.005207 0.366E-04 10351.3428
|
||
|
176 -263.595572 0.310E-03 0.298169 0.284E-02 0.005209 0.364E-04 10378.7537
|
||
|
177 -263.595540 0.310E-03 0.297900 0.283E-02 0.005205 0.364E-04 10402.1834
|
||
|
179 -263.595507 0.308E-03 0.297552 0.282E-02 0.005202 0.361E-04 10409.3657
|
||
|
181 -263.595510 0.307E-03 0.297538 0.281E-02 0.005203 0.360E-04 10442.5867
|
||
|
182 -263.595481 0.307E-03 0.297266 0.281E-02 0.005200 0.359E-04 10484.2941
|
||
|
184 -263.595489 0.305E-03 0.297336 0.279E-02 0.005201 0.358E-04 10487.1394
|
||
|
185 -263.595513 0.304E-03 0.297520 0.278E-02 0.005204 0.357E-04 10493.4814
|
||
|
186 -263.595503 0.303E-03 0.297400 0.277E-02 0.005203 0.355E-04 10500.6978
|
||
|
188 -263.595482 0.300E-03 0.297249 0.274E-02 0.005200 0.352E-04 10544.2397
|
||
|
189 -263.595495 0.298E-03 0.297345 0.273E-02 0.005202 0.350E-04 10564.1928
|
||
|
190 -263.595480 0.297E-03 0.297176 0.272E-02 0.005201 0.349E-04 10591.6163
|
||
|
192 -263.595479 0.295E-03 0.297187 0.269E-02 0.005200 0.345E-04 10624.9361
|
||
|
193 -263.595494 0.293E-03 0.297314 0.268E-02 0.005202 0.344E-04 10652.6896
|
||
|
194 -263.595496 0.292E-03 0.297354 0.267E-02 0.005202 0.342E-04 10683.3665
|
||
|
197 -263.595507 0.288E-03 0.297495 0.263E-02 0.005202 0.338E-04 10716.9509
|
||
|
198 -263.595480 0.288E-03 0.297268 0.262E-02 0.005199 0.339E-04 10744.6290
|
||
|
201 -263.595473 0.285E-03 0.297218 0.259E-02 0.005198 0.335E-04 10766.0094
|
||
|
202 -263.595465 0.284E-03 0.297203 0.258E-02 0.005196 0.334E-04 10773.4195
|
||
|
203 -263.595459 0.282E-03 0.297139 0.257E-02 0.005196 0.333E-04 10802.1018
|
||
|
204 -263.595449 0.281E-03 0.297104 0.256E-02 0.005194 0.331E-04 10810.4302
|
||
|
205 -263.595458 0.280E-03 0.297191 0.255E-02 0.005195 0.330E-04 10817.8939
|
||
|
207 -263.595440 0.278E-03 0.297114 0.253E-02 0.005192 0.328E-04 10856.7869
|
||
|
208 -263.595454 0.277E-03 0.297171 0.252E-02 0.005194 0.327E-04 10876.4146
|
||
|
213 -263.595503 0.274E-03 0.297700 0.249E-02 0.005199 0.322E-04 10903.5820
|
||
|
214 -263.595504 0.272E-03 0.297668 0.248E-02 0.005200 0.321E-04 10920.8691
|
||
|
215 -263.595506 0.271E-03 0.297682 0.247E-02 0.005200 0.320E-04 10947.2878
|
||
|
216 -263.595493 0.270E-03 0.297608 0.246E-02 0.005198 0.319E-04 10968.3847
|
||
|
217 -263.595482 0.269E-03 0.297536 0.245E-02 0.005196 0.318E-04 10985.3492
|
||
|
218 -263.595481 0.268E-03 0.297488 0.244E-02 0.005196 0.316E-04 11013.1828
|
||
|
220 -263.595490 0.265E-03 0.297501 0.242E-02 0.005199 0.314E-04 11022.6578
|
||
|
221 -263.595486 0.264E-03 0.297463 0.241E-02 0.005198 0.312E-04 11039.3421
|
||
|
223 -263.595460 0.263E-03 0.297221 0.240E-02 0.005195 0.311E-04 11060.4763
|
||
|
224 -263.595440 0.263E-03 0.297011 0.239E-02 0.005193 0.310E-04 11090.7126
|
||
|
226 -263.595457 0.261E-03 0.297200 0.238E-02 0.005195 0.308E-04 11113.1381
|
||
|
227 -263.595465 0.260E-03 0.297251 0.237E-02 0.005196 0.307E-04 11131.2029
|
||
|
228 -263.595457 0.259E-03 0.297221 0.236E-02 0.005195 0.306E-04 11151.3740
|
||
|
229 -263.595482 0.259E-03 0.297431 0.236E-02 0.005198 0.306E-04 11181.3587
|
||
|
230 -263.595500 0.259E-03 0.297593 0.236E-02 0.005200 0.305E-04 11195.1506
|
||
|
231 -263.595515 0.258E-03 0.297656 0.235E-02 0.005203 0.305E-04 11216.2739
|
||
|
232 -263.595584 0.266E-03 0.298179 0.239E-02 0.005212 0.317E-04 11222.3841
|
||
|
234 -263.595619 0.265E-03 0.298461 0.238E-02 0.005216 0.316E-04 11262.3414
|
||
|
235 -263.595612 0.264E-03 0.298377 0.237E-02 0.005216 0.315E-04 11271.2222
|
||
|
237 -263.595599 0.262E-03 0.298245 0.236E-02 0.005214 0.314E-04 11288.1405
|
||
|
239 -263.595613 0.261E-03 0.298417 0.234E-02 0.005215 0.312E-04 11295.8069
|
||
|
241 -263.595624 0.259E-03 0.298487 0.232E-02 0.005217 0.310E-04 11315.3208
|
||
|
243 -263.595619 0.257E-03 0.298468 0.231E-02 0.005216 0.307E-04 11337.4120
|
||
|
244 -263.595614 0.256E-03 0.298427 0.230E-02 0.005216 0.306E-04 11362.6639
|
||
|
247 -263.595658 0.255E-03 0.298838 0.229E-02 0.005221 0.306E-04 11387.3456
|
||
|
248 -263.595639 0.255E-03 0.298638 0.229E-02 0.005219 0.305E-04 11406.1076
|
||
|
251 -263.595628 0.254E-03 0.298511 0.228E-02 0.005218 0.304E-04 11463.7465
|
||
|
253 -263.595634 0.252E-03 0.298517 0.226E-02 0.005219 0.302E-04 11473.6252
|
||
|
254 -263.595635 0.251E-03 0.298488 0.225E-02 0.005220 0.302E-04 11479.8225
|
||
|
255 -263.595630 0.250E-03 0.298415 0.225E-02 0.005220 0.300E-04 11496.2471
|
||
|
257 -263.595636 0.249E-03 0.298509 0.223E-02 0.005220 0.298E-04 11535.9673
|
||
|
258 -263.595628 0.248E-03 0.298456 0.222E-02 0.005219 0.297E-04 11562.5472
|
||
|
259 -263.595640 0.247E-03 0.298639 0.222E-02 0.005220 0.296E-04 11570.3710
|
||
|
260 -263.595655 0.247E-03 0.298746 0.221E-02 0.005222 0.296E-04 11587.7107
|
||
|
262 -263.595641 0.245E-03 0.298633 0.220E-02 0.005220 0.294E-04 11612.3903
|
||
|
263 -263.595638 0.244E-03 0.298621 0.219E-02 0.005219 0.293E-04 11640.9716
|
||
|
264 -263.595636 0.243E-03 0.298647 0.218E-02 0.005219 0.292E-04 11663.3321
|
||
|
265 -263.595646 0.242E-03 0.298736 0.218E-02 0.005220 0.291E-04 11668.9439
|
||
|
266 -263.595652 0.242E-03 0.298800 0.217E-02 0.005220 0.290E-04 11678.2651
|
||
|
267 -263.595645 0.241E-03 0.298704 0.217E-02 0.005220 0.290E-04 11705.1676
|
||
|
268 -263.595653 0.241E-03 0.298761 0.216E-02 0.005221 0.289E-04 11721.5519
|
||
|
270 -263.595617 0.240E-03 0.298390 0.216E-02 0.005218 0.288E-04 11747.9676
|
||
|
271 -263.595617 0.239E-03 0.298386 0.215E-02 0.005218 0.287E-04 11759.8184
|
||
|
272 -263.595597 0.239E-03 0.298193 0.215E-02 0.005216 0.287E-04 11768.9050
|
||
|
274 -263.595577 0.239E-03 0.298027 0.214E-02 0.005214 0.286E-04 11773.5843
|
||
|
275 -263.595582 0.238E-03 0.298045 0.214E-02 0.005214 0.285E-04 11813.3783
|
||
|
276 -263.595569 0.237E-03 0.297917 0.213E-02 0.005213 0.284E-04 11827.3778
|
||
|
277 -263.595589 0.237E-03 0.298031 0.213E-02 0.005216 0.285E-04 11846.2430
|
||
|
278 -263.595606 0.237E-03 0.298221 0.213E-02 0.005218 0.284E-04 11852.7180
|
||
|
279 -263.595603 0.236E-03 0.298174 0.212E-02 0.005218 0.283E-04 11863.0195
|
||
|
281 -263.595605 0.236E-03 0.298201 0.212E-02 0.005218 0.282E-04 11901.7561
|
||
|
284 -263.595605 0.235E-03 0.298151 0.211E-02 0.005218 0.282E-04 11918.0427
|
||
|
286 -263.595573 0.235E-03 0.297882 0.211E-02 0.005214 0.282E-04 11930.0597
|
||
|
287 -263.595578 0.234E-03 0.297894 0.210E-02 0.005215 0.282E-04 11961.6473
|
||
|
290 -263.595575 0.233E-03 0.297928 0.208E-02 0.005214 0.280E-04 11995.1268
|
||
|
292 -263.595603 0.232E-03 0.298132 0.207E-02 0.005218 0.279E-04 12007.6616
|
||
|
293 -263.595614 0.231E-03 0.298288 0.207E-02 0.005218 0.278E-04 12026.2917
|
||
|
294 -263.595590 0.232E-03 0.298060 0.208E-02 0.005216 0.279E-04 12054.0816
|
||
|
297 -263.595604 0.232E-03 0.298205 0.208E-02 0.005217 0.278E-04 12083.4327
|
||
|
298 -263.595602 0.231E-03 0.298177 0.207E-02 0.005217 0.277E-04 12098.9227
|
||
|
299 -263.595598 0.230E-03 0.298174 0.206E-02 0.005216 0.277E-04 12117.4696
|
||
|
300 -263.595619 0.230E-03 0.298325 0.206E-02 0.005219 0.277E-04 12126.6543
|
||
|
302 -263.595624 0.229E-03 0.298357 0.205E-02 0.005220 0.276E-04 12146.2251
|
||
|
305 -263.595646 0.227E-03 0.298539 0.203E-02 0.005222 0.274E-04 12149.1549
|
||
|
306 -263.595630 0.227E-03 0.298398 0.203E-02 0.005221 0.274E-04 12190.5559
|
||
|
307 -263.595639 0.226E-03 0.298464 0.202E-02 0.005222 0.273E-04 12228.5756
|
||
|
310 -263.595670 0.225E-03 0.298738 0.201E-02 0.005226 0.272E-04 12237.5885
|
||
|
311 -263.595682 0.225E-03 0.298918 0.202E-02 0.005226 0.271E-04 12269.6687
|
||
|
312 -263.595667 0.225E-03 0.298811 0.201E-02 0.005224 0.271E-04 12306.0320
|
||
|
316 -263.595673 0.224E-03 0.298892 0.200E-02 0.005224 0.269E-04 12330.5859
|
||
|
317 -263.595665 0.223E-03 0.298802 0.200E-02 0.005224 0.269E-04 12359.0574
|
||
|
318 -263.595667 0.222E-03 0.298794 0.199E-02 0.005224 0.268E-04 12361.2369
|
||
|
320 -263.595676 0.222E-03 0.298907 0.199E-02 0.005225 0.268E-04 12371.1848
|
||
|
321 -263.595684 0.222E-03 0.298982 0.199E-02 0.005226 0.267E-04 12388.5532
|
||
|
322 -263.595669 0.222E-03 0.298834 0.199E-02 0.005224 0.267E-04 12409.5919
|
||
|
323 -263.595646 0.222E-03 0.298636 0.199E-02 0.005221 0.267E-04 12413.3201
|
||
|
325 -263.595657 0.221E-03 0.298672 0.198E-02 0.005223 0.267E-04 12421.6269
|
||
|
328 -263.595669 0.219E-03 0.298826 0.196E-02 0.005224 0.264E-04 12461.9645
|
||
|
329 -263.595654 0.219E-03 0.298682 0.196E-02 0.005222 0.264E-04 12488.0958
|
||
|
331 -263.595647 0.219E-03 0.298635 0.196E-02 0.005221 0.263E-04 12511.8784
|
||
|
336 -263.595612 0.217E-03 0.298261 0.195E-02 0.005218 0.261E-04 12544.0317
|
||
|
339 -263.595622 0.216E-03 0.298356 0.194E-02 0.005219 0.259E-04 12552.6074
|
||
|
342 -263.595643 0.215E-03 0.298536 0.193E-02 0.005221 0.258E-04 12580.7793
|
||
|
343 -263.595659 0.214E-03 0.298677 0.193E-02 0.005223 0.257E-04 12592.7658
|
||
|
344 -263.595660 0.214E-03 0.298693 0.192E-02 0.005223 0.256E-04 12602.4483
|
||
|
346 -263.595654 0.213E-03 0.298621 0.192E-02 0.005223 0.256E-04 12634.7516
|
||
|
347 -263.595654 0.213E-03 0.298635 0.191E-02 0.005223 0.255E-04 12645.0660
|
||
|
350 -263.595665 0.212E-03 0.298700 0.190E-02 0.005225 0.255E-04 12671.5769
|
||
|
352 -263.595671 0.211E-03 0.298724 0.189E-02 0.005226 0.253E-04 12695.0103
|
||
|
357 -263.595689 0.209E-03 0.298949 0.188E-02 0.005227 0.251E-04 12736.6877
|
||
|
359 -263.595688 0.208E-03 0.298954 0.187E-02 0.005227 0.250E-04 12762.6329
|
||
|
361 -263.595696 0.207E-03 0.298981 0.186E-02 0.005228 0.249E-04 12785.9946
|
||
|
364 -263.595682 0.207E-03 0.298871 0.186E-02 0.005226 0.249E-04 12830.2061
|
||
|
367 -263.595687 0.206E-03 0.298944 0.185E-02 0.005227 0.247E-04 12841.7692
|
||
|
368 -263.595684 0.205E-03 0.298896 0.185E-02 0.005226 0.247E-04 12848.5263
|
||
|
369 -263.595699 0.205E-03 0.299020 0.185E-02 0.005228 0.247E-04 12855.6863
|
||
|
370 -263.595691 0.205E-03 0.298970 0.184E-02 0.005227 0.246E-04 12884.3708
|
||
|
373 -263.595696 0.204E-03 0.299041 0.184E-02 0.005227 0.246E-04 12909.9702
|
||
|
374 -263.595704 0.204E-03 0.299097 0.183E-02 0.005228 0.245E-04 12936.7662
|
||
|
375 -263.595687 0.204E-03 0.298950 0.183E-02 0.005226 0.245E-04 12941.7530
|
||
|
377 -263.595659 0.204E-03 0.298715 0.183E-02 0.005223 0.245E-04 12945.6153
|
||
|
378 -263.595657 0.204E-03 0.298702 0.183E-02 0.005223 0.245E-04 12970.1292
|
||
|
379 -263.595662 0.203E-03 0.298753 0.182E-02 0.005223 0.244E-04 12976.8884
|
||
|
380 -263.595691 0.205E-03 0.298996 0.183E-02 0.005227 0.246E-04 13002.4013
|
||
|
381 -263.595701 0.204E-03 0.299090 0.183E-02 0.005228 0.246E-04 13013.5251
|
||
|
383 -263.595751 0.208E-03 0.299500 0.186E-02 0.005234 0.251E-04 13033.4895
|
||
|
384 -263.595748 0.208E-03 0.299496 0.186E-02 0.005233 0.251E-04 13049.0983
|
||
|
386 -263.595730 0.207E-03 0.299368 0.185E-02 0.005231 0.250E-04 13068.8557
|
||
|
388 -263.595724 0.206E-03 0.299287 0.184E-02 0.005231 0.249E-04 13105.9872
|
||
|
390 -263.595704 0.206E-03 0.299125 0.183E-02 0.005228 0.249E-04 13119.0763
|
||
|
391 -263.595701 0.205E-03 0.299102 0.183E-02 0.005228 0.248E-04 13128.6223
|
||
|
393 -263.595691 0.204E-03 0.298989 0.182E-02 0.005227 0.247E-04 13138.1370
|
||
|
394 -263.595685 0.204E-03 0.298954 0.182E-02 0.005226 0.246E-04 13159.2883
|
||
|
398 -263.595668 0.204E-03 0.298832 0.182E-02 0.005223 0.246E-04 13193.1522
|
||
|
399 -263.595662 0.204E-03 0.298780 0.182E-02 0.005222 0.246E-04 13196.5191
|
||
|
401 -263.595685 0.204E-03 0.298959 0.182E-02 0.005225 0.246E-04 13211.9618
|
||
|
402 -263.595684 0.204E-03 0.298945 0.181E-02 0.005225 0.246E-04 13221.8757
|
||
|
403 -263.595678 0.203E-03 0.298874 0.181E-02 0.005225 0.245E-04 13228.7564
|
||
|
404 -263.595692 0.203E-03 0.299053 0.181E-02 0.005226 0.245E-04 13250.4325
|
||
|
406 -263.595692 0.202E-03 0.299049 0.181E-02 0.005226 0.243E-04 13279.6246
|
||
|
407 -263.595680 0.202E-03 0.298936 0.180E-02 0.005225 0.243E-04 13284.7978
|
||
|
408 -263.595696 0.202E-03 0.299058 0.180E-02 0.005227 0.243E-04 13288.5908
|
||
|
411 -263.595693 0.201E-03 0.299024 0.179E-02 0.005226 0.242E-04 13320.5052
|
||
|
415 -263.595709 0.201E-03 0.299205 0.180E-02 0.005228 0.240E-04 13342.1771
|
||
|
418 -263.595698 0.200E-03 0.299107 0.179E-02 0.005227 0.240E-04 13368.0075
|
||
|
419 -263.595693 0.200E-03 0.299040 0.179E-02 0.005226 0.239E-04 13371.6054
|
||
|
420 -263.595697 0.199E-03 0.299065 0.179E-02 0.005227 0.239E-04 13381.1028
|
||
|
421 -263.595697 0.199E-03 0.299046 0.178E-02 0.005227 0.238E-04 13400.6106
|
||
|
422 -263.595700 0.198E-03 0.299054 0.178E-02 0.005228 0.238E-04 13413.5914
|
||
|
423 -263.595705 0.198E-03 0.299066 0.177E-02 0.005229 0.237E-04 13434.2653
|
||
|
427 -263.595712 0.197E-03 0.299095 0.176E-02 0.005230 0.236E-04 13459.8826
|
||
|
428 -263.595714 0.196E-03 0.299102 0.176E-02 0.005231 0.236E-04 13464.6234
|
||
|
429 -263.595722 0.196E-03 0.299153 0.176E-02 0.005232 0.236E-04 13472.4381
|
||
|
430 -263.595743 0.197E-03 0.299313 0.176E-02 0.005235 0.237E-04 13486.8153
|
||
|
431 -263.595744 0.196E-03 0.299332 0.176E-02 0.005235 0.236E-04 13497.3902
|
||
|
432 -263.595750 0.196E-03 0.299395 0.175E-02 0.005235 0.236E-04 13505.2683
|
||
|
435 -263.595752 0.195E-03 0.299371 0.174E-02 0.005236 0.234E-04 13527.4800
|
||
|
440 -263.595774 0.194E-03 0.299559 0.173E-02 0.005239 0.233E-04 13570.8162
|
||
|
442 -263.595777 0.193E-03 0.299558 0.173E-02 0.005239 0.232E-04 13588.6200
|
||
|
445 -263.595769 0.192E-03 0.299485 0.172E-02 0.005238 0.231E-04 13598.7864
|
||
|
447 -263.595803 0.194E-03 0.299769 0.173E-02 0.005243 0.234E-04 13618.3189
|
||
|
452 -263.595802 0.193E-03 0.299782 0.172E-02 0.005242 0.232E-04 13656.6498
|
||
|
454 -263.595798 0.192E-03 0.299764 0.171E-02 0.005241 0.231E-04 13671.2447
|
||
|
455 -263.595818 0.193E-03 0.299952 0.172E-02 0.005244 0.232E-04 13681.1209
|
||
|
456 -263.595818 0.192E-03 0.299950 0.172E-02 0.005244 0.232E-04 13691.3889
|
||
|
459 -263.595847 0.192E-03 0.300231 0.172E-02 0.005247 0.232E-04 13708.5351
|
||
|
460 -263.595874 0.194E-03 0.300475 0.173E-02 0.005250 0.233E-04 13710.4320
|
||
|
463 -263.595893 0.194E-03 0.300644 0.173E-02 0.005252 0.233E-04 13751.3037
|
||
|
468 -263.595885 0.192E-03 0.300562 0.171E-02 0.005252 0.231E-04 13754.1275
|
||
|
469 -263.595902 0.193E-03 0.300693 0.172E-02 0.005254 0.232E-04 13782.5148
|
||
|
475 -263.595937 0.192E-03 0.301006 0.171E-02 0.005258 0.231E-04 13800.4282
|
||
|
476 -263.595917 0.192E-03 0.300841 0.171E-02 0.005255 0.232E-04 13801.6948
|
||
|
480 -263.595926 0.191E-03 0.300909 0.170E-02 0.005256 0.230E-04 13827.5237
|
||
|
481 -263.595930 0.191E-03 0.300954 0.170E-02 0.005257 0.230E-04 13843.4584
|
||
|
482 -263.595940 0.191E-03 0.301041 0.170E-02 0.005258 0.230E-04 13855.1858
|
||
|
483 -263.595950 0.191E-03 0.301141 0.170E-02 0.005259 0.230E-04 13862.9454
|
||
|
484 -263.595942 0.190E-03 0.301048 0.170E-02 0.005258 0.229E-04 13875.3013
|
||
|
487 -263.595958 0.190E-03 0.301251 0.170E-02 0.005259 0.228E-04 13894.1080
|
||
|
489 -263.595946 0.190E-03 0.301170 0.169E-02 0.005258 0.228E-04 13929.3220
|
||
|
490 -263.595954 0.190E-03 0.301244 0.169E-02 0.005258 0.228E-04 13940.8738
|
||
|
491 -263.595969 0.190E-03 0.301377 0.169E-02 0.005260 0.228E-04 13946.6791
|
||
|
492 -263.595960 0.190E-03 0.301279 0.169E-02 0.005259 0.228E-04 13954.1843
|
||
|
493 -263.595963 0.189E-03 0.301311 0.169E-02 0.005260 0.227E-04 13968.7481
|
||
|
495 -263.595958 0.189E-03 0.301308 0.168E-02 0.005259 0.227E-04 13984.7920
|
||
|
497 -263.595977 0.188E-03 0.301470 0.168E-02 0.005261 0.227E-04 14009.5992
|
||
|
500 -263.595985 0.188E-03 0.301508 0.167E-02 0.005262 0.226E-04 14018.8875
|
||
|
502 -263.595980 0.187E-03 0.301453 0.167E-02 0.005262 0.225E-04 14027.3304
|
||
|
503 -263.595976 0.187E-03 0.301435 0.166E-02 0.005261 0.225E-04 14041.4211
|
||
|
507 -263.595958 0.186E-03 0.301255 0.166E-02 0.005259 0.224E-04 14043.6122
|
||
|
509 -263.595952 0.185E-03 0.301189 0.165E-02 0.005259 0.223E-04 14057.8377
|
||
|
510 -263.595951 0.185E-03 0.301179 0.165E-02 0.005258 0.223E-04 14059.5327
|
||
|
511 -263.595961 0.185E-03 0.301283 0.165E-02 0.005259 0.222E-04 14071.4332
|
||
|
512 -263.595964 0.184E-03 0.301324 0.164E-02 0.005260 0.222E-04 14078.3788
|
||
|
518 -263.595946 0.183E-03 0.301210 0.163E-02 0.005257 0.220E-04 14102.4877
|
||
|
519 -263.595945 0.183E-03 0.301188 0.163E-02 0.005257 0.220E-04 14110.2448
|
||
|
520 -263.595945 0.183E-03 0.301223 0.163E-02 0.005256 0.220E-04 14118.8104
|
||
|
521 -263.595959 0.183E-03 0.301316 0.163E-02 0.005258 0.220E-04 14130.8683
|
||
|
523 -263.595955 0.182E-03 0.301326 0.162E-02 0.005257 0.220E-04 14134.5449
|
||
|
524 -263.595954 0.182E-03 0.301305 0.162E-02 0.005257 0.219E-04 14137.7887
|
||
|
526 -263.595962 0.181E-03 0.301404 0.162E-02 0.005258 0.219E-04 14149.9316
|
||
|
529 -263.595957 0.181E-03 0.301356 0.161E-02 0.005257 0.218E-04 14162.0894
|
||
|
530 -263.595952 0.181E-03 0.301303 0.161E-02 0.005257 0.218E-04 14173.1121
|
||
|
532 -263.595947 0.180E-03 0.301280 0.161E-02 0.005256 0.217E-04 14196.3333
|
||
|
534 -263.595942 0.180E-03 0.301234 0.160E-02 0.005255 0.216E-04 14210.2314
|
||
|
535 -263.595936 0.179E-03 0.301203 0.160E-02 0.005255 0.216E-04 14218.9182
|
||
|
536 -263.595946 0.179E-03 0.301284 0.160E-02 0.005256 0.216E-04 14224.4539
|
||
|
537 -263.595932 0.179E-03 0.301165 0.160E-02 0.005254 0.216E-04 14228.1609
|
||
|
539 -263.595953 0.180E-03 0.301331 0.160E-02 0.005257 0.216E-04 14241.5348
|
||
|
541 -263.595950 0.179E-03 0.301313 0.159E-02 0.005256 0.216E-04 14253.3834
|
||
|
542 -263.595954 0.179E-03 0.301378 0.159E-02 0.005257 0.215E-04 14264.5257
|
||
|
545 -263.595943 0.178E-03 0.301284 0.159E-02 0.005255 0.215E-04 14307.2160
|
||
|
548 -263.595923 0.178E-03 0.301128 0.158E-02 0.005253 0.214E-04 14321.2964
|
||
|
551 -263.595922 0.177E-03 0.301112 0.157E-02 0.005253 0.213E-04 14331.0139
|
||
|
552 -263.595920 0.176E-03 0.301093 0.157E-02 0.005252 0.213E-04 14345.0668
|
||
|
554 -263.595910 0.176E-03 0.300989 0.157E-02 0.005251 0.212E-04 14356.5731
|
||
|
557 -263.595934 0.176E-03 0.301199 0.157E-02 0.005254 0.212E-04 14378.5380
|
||
|
558 -263.595949 0.175E-03 0.301299 0.156E-02 0.005257 0.211E-04 14385.1754
|
||
|
559 -263.595950 0.175E-03 0.301292 0.156E-02 0.005257 0.211E-04 14409.0361
|
||
|
560 -263.595949 0.174E-03 0.301305 0.155E-02 0.005256 0.210E-04 14411.6073
|
||
|
562 -263.595944 0.174E-03 0.301259 0.155E-02 0.005256 0.210E-04 14422.3173
|
||
|
563 -263.595936 0.174E-03 0.301195 0.155E-02 0.005255 0.210E-04 14437.0645
|
||
|
564 -263.595935 0.173E-03 0.301181 0.155E-02 0.005255 0.209E-04 14448.3130
|
||
|
566 -263.595923 0.173E-03 0.301098 0.154E-02 0.005253 0.209E-04 14468.0081
|
||
|
567 -263.595935 0.173E-03 0.301201 0.154E-02 0.005254 0.209E-04 14473.8983
|
||
|
568 -263.595933 0.173E-03 0.301182 0.154E-02 0.005254 0.209E-04 14497.9369
|
||
|
569 -263.595938 0.173E-03 0.301191 0.154E-02 0.005255 0.209E-04 14503.6476
|
||
|
571 -263.595930 0.172E-03 0.301105 0.153E-02 0.005255 0.208E-04 14513.0202
|
||
|
573 -263.595932 0.172E-03 0.301125 0.153E-02 0.005255 0.208E-04 14527.2032
|
||
|
576 -263.595931 0.171E-03 0.301131 0.152E-02 0.005255 0.206E-04 14539.4447
|
||
|
577 -263.595929 0.171E-03 0.301094 0.152E-02 0.005255 0.206E-04 14563.8727
|
||
|
582 -263.595920 0.169E-03 0.301003 0.151E-02 0.005254 0.205E-04 14579.5675
|
||
|
583 -263.595919 0.169E-03 0.300996 0.151E-02 0.005254 0.204E-04 14588.6160
|
||
|
584 -263.595915 0.169E-03 0.300951 0.150E-02 0.005253 0.204E-04 14600.9018
|
||
|
585 -263.595920 0.169E-03 0.300982 0.150E-02 0.005254 0.204E-04 14605.3158
|
||
|
586 -263.595907 0.169E-03 0.300871 0.150E-02 0.005252 0.204E-04 14618.3429
|
||
|
587 -263.595903 0.169E-03 0.300835 0.150E-02 0.005252 0.204E-04 14628.5133
|
||
|
593 -263.595893 0.169E-03 0.300722 0.150E-02 0.005251 0.204E-04 14655.2187
|
||
|
594 -263.595893 0.168E-03 0.300732 0.150E-02 0.005251 0.203E-04 14671.9674
|
||
|
595 -263.595887 0.168E-03 0.300681 0.150E-02 0.005250 0.203E-04 14678.0512
|
||
|
597 -263.595895 0.168E-03 0.300790 0.149E-02 0.005250 0.203E-04 14685.1867
|
||
|
599 -263.595887 0.167E-03 0.300708 0.149E-02 0.005250 0.202E-04 14690.9864
|
||
|
600 -263.595884 0.167E-03 0.300687 0.149E-02 0.005249 0.202E-04 14709.5035
|
||
|
602 -263.595894 0.167E-03 0.300785 0.148E-02 0.005250 0.201E-04 14721.5205
|
||
|
606 -263.595927 0.167E-03 0.301118 0.149E-02 0.005254 0.202E-04 14743.2314
|
||
|
607 -263.595932 0.167E-03 0.301168 0.149E-02 0.005254 0.201E-04 14746.4708
|
||
|
608 -263.595918 0.167E-03 0.301046 0.149E-02 0.005253 0.202E-04 14765.6794
|
||
|
609 -263.595919 0.167E-03 0.301052 0.149E-02 0.005253 0.201E-04 14769.3418
|
||
|
611 -263.595910 0.167E-03 0.300972 0.149E-02 0.005251 0.201E-04 14782.1597
|
||
|
613 -263.595918 0.166E-03 0.301022 0.148E-02 0.005253 0.201E-04 14801.9758
|
||
|
615 -263.595923 0.166E-03 0.301093 0.148E-02 0.005253 0.200E-04 14813.7825
|
||
|
618 -263.595932 0.166E-03 0.301146 0.148E-02 0.005254 0.200E-04 14837.0107
|
||
|
621 -263.595921 0.166E-03 0.301064 0.148E-02 0.005253 0.200E-04 14854.0398
|
||
|
622 -263.595923 0.166E-03 0.301088 0.147E-02 0.005253 0.200E-04 14859.1739
|
||
|
623 -263.595918 0.165E-03 0.301046 0.147E-02 0.005252 0.199E-04 14890.9417
|
||
|
626 -263.595917 0.165E-03 0.301024 0.147E-02 0.005253 0.199E-04 14893.8895
|
||
|
627 -263.595917 0.165E-03 0.301017 0.147E-02 0.005252 0.199E-04 14906.3085
|
||
|
632 -263.595893 0.164E-03 0.300808 0.146E-02 0.005250 0.198E-04 14928.1441
|
||
|
636 -263.595891 0.163E-03 0.300769 0.145E-02 0.005250 0.197E-04 14943.8464
|
||
|
637 -263.595895 0.163E-03 0.300838 0.145E-02 0.005250 0.196E-04 14950.6692
|
||
|
638 -263.595888 0.163E-03 0.300769 0.145E-02 0.005249 0.196E-04 14964.8393
|
||
|
640 -263.595890 0.162E-03 0.300783 0.145E-02 0.005249 0.196E-04 14984.7806
|
||
|
643 -263.595910 0.162E-03 0.300980 0.145E-02 0.005251 0.195E-04 14999.4078
|
||
|
646 -263.595905 0.161E-03 0.300947 0.144E-02 0.005251 0.194E-04 15013.7161
|
||
|
647 -263.595927 0.163E-03 0.301173 0.146E-02 0.005253 0.195E-04 15022.3784
|
||
|
651 -263.595928 0.162E-03 0.301204 0.145E-02 0.005253 0.195E-04 15034.8419
|
||
|
653 -263.595935 0.162E-03 0.301245 0.145E-02 0.005254 0.195E-04 15042.1293
|
||
|
656 -263.595958 0.162E-03 0.301456 0.145E-02 0.005256 0.195E-04 15056.8131
|
||
|
658 -263.595953 0.162E-03 0.301403 0.145E-02 0.005256 0.194E-04 15085.6488
|
||
|
661 -263.595934 0.161E-03 0.301216 0.145E-02 0.005254 0.193E-04 15094.0372
|
||
|
664 -263.595928 0.161E-03 0.301154 0.144E-02 0.005253 0.193E-04 15107.8281
|
||
|
666 -263.595915 0.161E-03 0.301046 0.144E-02 0.005252 0.192E-04 15111.5881
|
||
|
669 -263.595906 0.160E-03 0.300960 0.144E-02 0.005251 0.192E-04 15135.7435
|
||
|
670 -263.595907 0.160E-03 0.300975 0.143E-02 0.005251 0.191E-04 15148.7707
|
||
|
677 -263.595946 0.159E-03 0.301322 0.143E-02 0.005255 0.190E-04 15165.8593
|
||
|
678 -263.595947 0.159E-03 0.301319 0.143E-02 0.005255 0.190E-04 15169.9031
|
||
|
679 -263.595943 0.159E-03 0.301288 0.143E-02 0.005255 0.190E-04 15175.4684
|
||
|
681 -263.595933 0.159E-03 0.301194 0.143E-02 0.005254 0.190E-04 15187.0400
|
||
|
682 -263.595929 0.158E-03 0.301169 0.142E-02 0.005253 0.190E-04 15203.7649
|
||
|
684 -263.595933 0.158E-03 0.301198 0.142E-02 0.005254 0.189E-04 15230.3916
|
||
|
686 -263.595923 0.158E-03 0.301104 0.142E-02 0.005253 0.189E-04 15241.2404
|
||
|
690 -263.595940 0.157E-03 0.301220 0.141E-02 0.005255 0.188E-04 15268.2403
|
||
|
697 -263.595960 0.157E-03 0.301409 0.141E-02 0.005257 0.188E-04 15278.1908
|
||
|
700 -263.595958 0.157E-03 0.301386 0.141E-02 0.005257 0.188E-04 15299.0873
|
||
|
704 -263.595942 0.157E-03 0.301262 0.140E-02 0.005255 0.187E-04 15306.2334
|
||
|
705 -263.595939 0.156E-03 0.301238 0.140E-02 0.005255 0.187E-04 15314.0381
|
||
|
707 -263.595943 0.156E-03 0.301267 0.140E-02 0.005255 0.187E-04 15321.1390
|
||
|
709 -263.595943 0.156E-03 0.301245 0.140E-02 0.005255 0.186E-04 15332.8457
|
||
|
713 -263.595926 0.154E-03 0.301093 0.139E-02 0.005253 0.184E-04 15360.6806
|
||
|
715 -263.595932 0.154E-03 0.301131 0.138E-02 0.005254 0.184E-04 15374.6109
|
||
|
718 -263.595915 0.154E-03 0.300992 0.138E-02 0.005252 0.183E-04 15383.1547
|
||
|
719 -263.595914 0.153E-03 0.300980 0.138E-02 0.005252 0.183E-04 15396.6913
|
||
|
720 -263.595905 0.153E-03 0.300911 0.138E-02 0.005251 0.183E-04 15406.6420
|
||
|
722 -263.595909 0.153E-03 0.300936 0.137E-02 0.005251 0.183E-04 15413.7132
|
||
|
725 -263.595922 0.153E-03 0.301014 0.137E-02 0.005253 0.183E-04 15419.7553
|
||
|
726 -263.595922 0.152E-03 0.301021 0.137E-02 0.005253 0.182E-04 15423.8011
|
||
|
734 -263.595951 0.152E-03 0.301260 0.136E-02 0.005257 0.181E-04 15451.9010
|
||
|
738 -263.595958 0.151E-03 0.301336 0.136E-02 0.005257 0.180E-04 15466.9599
|
||
|
740 -263.595952 0.151E-03 0.301268 0.135E-02 0.005257 0.180E-04 15474.7443
|
||
|
741 -263.595948 0.150E-03 0.301233 0.135E-02 0.005256 0.180E-04 15501.6450
|
||
|
745 -263.595945 0.150E-03 0.301195 0.135E-02 0.005256 0.179E-04 15510.8297
|
||
|
746 -263.595937 0.150E-03 0.301134 0.134E-02 0.005255 0.179E-04 15514.6515
|
||
|
748 -263.595926 0.150E-03 0.301039 0.134E-02 0.005254 0.179E-04 15543.5025
|
||
|
755 -263.595941 0.149E-03 0.301191 0.133E-02 0.005255 0.178E-04 15558.5486
|
||
|
757 -263.595941 0.148E-03 0.301233 0.133E-02 0.005255 0.177E-04 15566.7641
|
||
|
758 -263.595947 0.148E-03 0.301279 0.133E-02 0.005256 0.177E-04 15571.8544
|
||
|
761 -263.595962 0.148E-03 0.301398 0.133E-02 0.005257 0.177E-04 15595.9161
|
||
|
764 -263.595968 0.148E-03 0.301429 0.132E-02 0.005258 0.177E-04 15600.5872
|
||
|
765 -263.595972 0.147E-03 0.301452 0.132E-02 0.005259 0.176E-04 15607.7292
|
||
|
769 -263.595971 0.147E-03 0.301458 0.132E-02 0.005259 0.176E-04 15614.3374
|
||
|
770 -263.595968 0.147E-03 0.301434 0.132E-02 0.005258 0.176E-04 15634.4916
|
||
|
772 -263.595966 0.146E-03 0.301432 0.131E-02 0.005258 0.175E-04 15651.5479
|
||
|
774 -263.595957 0.146E-03 0.301345 0.131E-02 0.005257 0.175E-04 15657.1812
|
||
|
775 -263.595956 0.146E-03 0.301343 0.131E-02 0.005257 0.175E-04 15661.7837
|
||
|
779 -263.595988 0.146E-03 0.301594 0.131E-02 0.005261 0.174E-04 15682.1136
|
||
|
780 -263.595984 0.145E-03 0.301558 0.130E-02 0.005261 0.174E-04 15685.5627
|
||
|
781 -263.595989 0.145E-03 0.301599 0.130E-02 0.005261 0.174E-04 15691.9642
|
||
|
785 -263.595994 0.145E-03 0.301632 0.130E-02 0.005262 0.173E-04 15697.7949
|
||
|
787 -263.595989 0.144E-03 0.301573 0.130E-02 0.005262 0.173E-04 15716.3871
|
||
|
789 -263.595988 0.144E-03 0.301566 0.129E-02 0.005261 0.172E-04 15729.7744
|
||
|
791 -263.595986 0.144E-03 0.301550 0.129E-02 0.005261 0.172E-04 15731.7350
|
||
|
795 -263.595972 0.143E-03 0.301461 0.128E-02 0.005259 0.172E-04 15743.3052
|
||
|
796 -263.595972 0.143E-03 0.301467 0.128E-02 0.005259 0.171E-04 15759.3531
|
||
|
799 -263.595971 0.143E-03 0.301445 0.128E-02 0.005259 0.171E-04 15770.4409
|
||
|
800 -263.595970 0.143E-03 0.301433 0.128E-02 0.005259 0.171E-04 15776.0197
|
||
|
801 -263.595973 0.143E-03 0.301452 0.128E-02 0.005260 0.171E-04 15782.7134
|
||
|
803 -263.595976 0.142E-03 0.301480 0.127E-02 0.005260 0.170E-04 15789.9551
|
||
|
808 -263.595968 0.142E-03 0.301402 0.127E-02 0.005259 0.170E-04 15816.9592
|
||
|
809 -263.595959 0.142E-03 0.301321 0.127E-02 0.005258 0.170E-04 15835.3572
|
||
|
817 -263.595957 0.141E-03 0.301329 0.127E-02 0.005257 0.170E-04 15839.2611
|
||
|
819 -263.595966 0.142E-03 0.301398 0.127E-02 0.005259 0.170E-04 15849.8275
|
||
|
821 -263.595965 0.142E-03 0.301389 0.127E-02 0.005258 0.170E-04 15864.2431
|
||
|
823 -263.595959 0.141E-03 0.301328 0.127E-02 0.005258 0.170E-04 15867.4739
|
||
|
826 -263.595972 0.141E-03 0.301439 0.126E-02 0.005259 0.169E-04 15875.2768
|
||
|
827 -263.595970 0.141E-03 0.301426 0.126E-02 0.005259 0.169E-04 15884.7575
|
||
|
832 -263.595948 0.141E-03 0.301239 0.126E-02 0.005256 0.169E-04 15920.4637
|
||
|
835 -263.595978 0.142E-03 0.301507 0.127E-02 0.005260 0.170E-04 15930.0342
|
||
|
838 -263.595980 0.142E-03 0.301504 0.127E-02 0.005261 0.170E-04 15940.9206
|
||
|
843 -263.595996 0.141E-03 0.301651 0.127E-02 0.005262 0.169E-04 15959.6441
|
||
|
846 -263.595989 0.141E-03 0.301573 0.126E-02 0.005262 0.169E-04 15966.6167
|
||
|
849 -263.595994 0.141E-03 0.301623 0.126E-02 0.005262 0.168E-04 15976.3713
|
||
|
856 -263.595976 0.140E-03 0.301459 0.125E-02 0.005260 0.168E-04 16004.5246
|
||
|
857 -263.595975 0.140E-03 0.301459 0.125E-02 0.005260 0.167E-04 16025.7900
|
||
|
863 -263.595968 0.139E-03 0.301401 0.125E-02 0.005259 0.167E-04 16037.2701
|
||
|
866 -263.595986 0.139E-03 0.301560 0.125E-02 0.005261 0.167E-04 16042.2963
|
||
|
869 -263.595973 0.139E-03 0.301441 0.125E-02 0.005260 0.167E-04 16054.1721
|
||
|
870 -263.595974 0.139E-03 0.301435 0.125E-02 0.005260 0.167E-04 16058.8600
|
||
|
872 -263.595970 0.139E-03 0.301408 0.124E-02 0.005260 0.166E-04 16068.5265
|
||
|
880 -263.595962 0.138E-03 0.301315 0.124E-02 0.005259 0.165E-04 16096.4472
|
||
|
883 -263.595961 0.137E-03 0.301323 0.123E-02 0.005259 0.165E-04 16112.0454
|
||
|
885 -263.595952 0.137E-03 0.301260 0.123E-02 0.005257 0.164E-04 16118.4218
|
||
|
887 -263.595944 0.137E-03 0.301190 0.123E-02 0.005256 0.165E-04 16127.9551
|
||
|
888 -263.595935 0.138E-03 0.301109 0.123E-02 0.005255 0.165E-04 16145.3494
|
||
|
890 -263.595927 0.137E-03 0.301035 0.123E-02 0.005254 0.164E-04 16146.3957
|
||
|
891 -263.595923 0.137E-03 0.300993 0.123E-02 0.005254 0.164E-04 16149.2593
|
||
|
892 -263.595915 0.137E-03 0.300919 0.123E-02 0.005253 0.164E-04 16159.6194
|
||
|
899 -263.595921 0.137E-03 0.300974 0.123E-02 0.005254 0.164E-04 16188.0309
|
||
|
902 -263.595931 0.137E-03 0.301092 0.123E-02 0.005254 0.163E-04 16204.1850
|
||
|
904 -263.595924 0.137E-03 0.301013 0.123E-02 0.005254 0.163E-04 16210.6674
|
||
|
906 -263.595936 0.137E-03 0.301113 0.122E-02 0.005255 0.163E-04 16218.7107
|
||
|
911 -263.595944 0.137E-03 0.301175 0.123E-02 0.005256 0.163E-04 16246.6684
|
||
|
916 -263.595946 0.136E-03 0.301209 0.122E-02 0.005256 0.163E-04 16251.4181
|
||
|
920 -263.595944 0.136E-03 0.301187 0.122E-02 0.005256 0.162E-04 16252.6604
|
||
|
921 -263.595945 0.136E-03 0.301195 0.122E-02 0.005256 0.162E-04 16284.0641
|
||
|
923 -263.595949 0.136E-03 0.301225 0.122E-02 0.005257 0.162E-04 16293.3488
|
||
|
924 -263.595950 0.136E-03 0.301244 0.122E-02 0.005257 0.162E-04 16296.2676
|
||
|
925 -263.595947 0.136E-03 0.301213 0.121E-02 0.005257 0.162E-04 16302.1207
|
||
|
926 -263.595939 0.135E-03 0.301138 0.121E-02 0.005256 0.161E-04 16306.0151
|
||
|
929 -263.595941 0.135E-03 0.301135 0.121E-02 0.005256 0.161E-04 16309.1984
|
||
|
933 -263.595944 0.134E-03 0.301136 0.120E-02 0.005257 0.161E-04 16330.7879
|
||
|
935 -263.595938 0.134E-03 0.301091 0.120E-02 0.005256 0.161E-04 16333.4070
|
||
|
936 -263.595933 0.134E-03 0.301057 0.120E-02 0.005256 0.160E-04 16342.3164
|
||
|
943 -263.595930 0.134E-03 0.301023 0.120E-02 0.005255 0.160E-04 16376.0218
|
||
|
945 -263.595926 0.134E-03 0.300961 0.120E-02 0.005255 0.160E-04 16385.1423
|
||
|
946 -263.595928 0.134E-03 0.300977 0.120E-02 0.005255 0.160E-04 16394.4862
|
||
|
947 -263.595927 0.133E-03 0.300970 0.119E-02 0.005255 0.160E-04 16398.6473
|
||
|
951 -263.595931 0.133E-03 0.300995 0.119E-02 0.005256 0.160E-04 16426.6605
|
||
|
952 -263.595930 0.133E-03 0.300986 0.119E-02 0.005256 0.159E-04 16427.9763
|
||
|
955 -263.595934 0.133E-03 0.301007 0.119E-02 0.005256 0.159E-04 16432.8000
|
||
|
961 -263.595935 0.133E-03 0.301014 0.119E-02 0.005256 0.159E-04 16442.2969
|
||
|
962 -263.595940 0.133E-03 0.301053 0.119E-02 0.005257 0.159E-04 16467.7800
|
||
|
965 -263.595932 0.132E-03 0.300972 0.118E-02 0.005256 0.158E-04 16480.0891
|
||
|
966 -263.595934 0.132E-03 0.300992 0.118E-02 0.005257 0.158E-04 16490.6390
|
||
|
972 -263.595925 0.132E-03 0.300947 0.118E-02 0.005255 0.158E-04 16513.4419
|
||
|
974 -263.595915 0.132E-03 0.300846 0.118E-02 0.005254 0.158E-04 16524.3250
|
||
|
982 -263.595923 0.131E-03 0.300937 0.117E-02 0.005255 0.157E-04 16526.8713
|
||
|
984 -263.595917 0.131E-03 0.300876 0.117E-02 0.005254 0.157E-04 16533.5919
|
||
|
985 -263.595919 0.131E-03 0.300899 0.117E-02 0.005254 0.156E-04 16557.2630
|
||
|
986 -263.595926 0.131E-03 0.300969 0.117E-02 0.005255 0.156E-04 16573.9832
|
||
|
987 -263.595926 0.131E-03 0.300962 0.117E-02 0.005255 0.156E-04 16578.9138
|
||
|
988 -263.595922 0.130E-03 0.300923 0.117E-02 0.005255 0.156E-04 16582.5076
|
||
|
996 -263.595911 0.130E-03 0.300850 0.116E-02 0.005253 0.155E-04 16613.7512
|
||
|
998 -263.595912 0.130E-03 0.300864 0.116E-02 0.005253 0.155E-04 16616.6158
|
||
|
1006 -263.595910 0.129E-03 0.300843 0.115E-02 0.005253 0.154E-04 16652.8386
|
||
|
1012 -263.595905 0.127E-03 0.300798 0.114E-02 0.005253 0.152E-04 16662.8329
|
||
|
1013 -263.595905 0.127E-03 0.300797 0.114E-02 0.005252 0.152E-04 16665.0235
|
||
|
1014 -263.595906 0.127E-03 0.300807 0.114E-02 0.005253 0.152E-04 16667.3034
|
||
|
1015 -263.595911 0.127E-03 0.300850 0.114E-02 0.005253 0.152E-04 16669.9951
|
||
|
1016 -263.595916 0.127E-03 0.300899 0.114E-02 0.005254 0.152E-04 16674.7580
|
||
|
1021 -263.595926 0.127E-03 0.300986 0.114E-02 0.005255 0.151E-04 16692.8737
|
||
|
1022 -263.595930 0.127E-03 0.301021 0.113E-02 0.005255 0.151E-04 16696.9414
|
||
|
1024 -263.595936 0.126E-03 0.301074 0.113E-02 0.005256 0.151E-04 16705.3960
|
||
|
1025 -263.595935 0.126E-03 0.301069 0.113E-02 0.005256 0.151E-04 16717.9218
|
||
|
1036 -263.595924 0.125E-03 0.300973 0.112E-02 0.005255 0.150E-04 16743.6381
|
||
|
1040 -263.595930 0.125E-03 0.301020 0.112E-02 0.005255 0.150E-04 16754.4494
|
||
|
1042 -263.595925 0.125E-03 0.300971 0.112E-02 0.005255 0.150E-04 16758.6906
|
||
|
1043 -263.595920 0.125E-03 0.300916 0.112E-02 0.005254 0.150E-04 16767.7339
|
||
|
1047 -263.595925 0.125E-03 0.300979 0.112E-02 0.005255 0.149E-04 16783.9224
|
||
|
1048 -263.595934 0.125E-03 0.301069 0.112E-02 0.005256 0.149E-04 16788.2491
|
||
|
1051 -263.595931 0.125E-03 0.301028 0.112E-02 0.005255 0.149E-04 16797.3460
|
||
|
1054 -263.595931 0.125E-03 0.301040 0.112E-02 0.005255 0.149E-04 16809.4528
|
||
|
1061 -263.595936 0.124E-03 0.301110 0.112E-02 0.005256 0.148E-04 16824.8030
|
||
|
1063 -263.595940 0.124E-03 0.301137 0.111E-02 0.005256 0.148E-04 16834.1176
|
||
|
1067 -263.595937 0.124E-03 0.301116 0.111E-02 0.005256 0.148E-04 16849.8673
|
||
|
1069 -263.595932 0.124E-03 0.301078 0.111E-02 0.005255 0.148E-04 16861.6180
|
||
|
1072 -263.595934 0.123E-03 0.301092 0.111E-02 0.005255 0.147E-04 16873.3052
|
||
|
1074 -263.595939 0.123E-03 0.301122 0.111E-02 0.005256 0.147E-04 16878.7046
|
||
|
1076 -263.595936 0.123E-03 0.301089 0.110E-02 0.005256 0.147E-04 16890.9501
|
||
|
1078 -263.595929 0.123E-03 0.301035 0.110E-02 0.005255 0.147E-04 16899.2347
|
||
|
1084 -263.595941 0.123E-03 0.301140 0.110E-02 0.005256 0.147E-04 16928.9777
|
||
|
1089 -263.595941 0.122E-03 0.301150 0.110E-02 0.005256 0.146E-04 16940.2334
|
||
|
1092 -263.595940 0.122E-03 0.301139 0.110E-02 0.005256 0.146E-04 16954.5345
|
||
|
1096 -263.595932 0.122E-03 0.301061 0.109E-02 0.005255 0.145E-04 16966.7078
|
||
|
1097 -263.595937 0.122E-03 0.301092 0.109E-02 0.005256 0.145E-04 16971.7722
|
||
|
1102 -263.595940 0.121E-03 0.301129 0.109E-02 0.005256 0.145E-04 16991.0985
|
||
|
1115 -263.595951 0.121E-03 0.301233 0.108E-02 0.005257 0.144E-04 17019.4174
|
||
|
1117 -263.595941 0.121E-03 0.301138 0.109E-02 0.005256 0.144E-04 17028.3717
|
||
|
1118 -263.595940 0.121E-03 0.301132 0.108E-02 0.005256 0.144E-04 17032.4385
|
||
|
1122 -263.595942 0.120E-03 0.301143 0.108E-02 0.005256 0.143E-04 17046.4850
|
||
|
1124 -263.595945 0.120E-03 0.301160 0.108E-02 0.005257 0.144E-04 17072.7391
|
||
|
1130 -263.595945 0.120E-03 0.301151 0.108E-02 0.005257 0.143E-04 17082.0062
|
||
|
1141 -263.595950 0.120E-03 0.301158 0.108E-02 0.005258 0.143E-04 17109.6246
|
||
|
1143 -263.595957 0.120E-03 0.301203 0.108E-02 0.005259 0.143E-04 17130.9669
|
||
|
1149 -263.595952 0.119E-03 0.301176 0.107E-02 0.005259 0.143E-04 17139.8293
|
||
|
1152 -263.595957 0.119E-03 0.301227 0.107E-02 0.005259 0.142E-04 17157.7822
|
||
|
1156 -263.595954 0.119E-03 0.301196 0.107E-02 0.005259 0.142E-04 17162.4998
|
||
|
1159 -263.595949 0.119E-03 0.301153 0.107E-02 0.005258 0.142E-04 17172.7477
|
||
|
1167 -263.595935 0.118E-03 0.301012 0.106E-02 0.005257 0.141E-04 17199.4440
|
||
|
1170 -263.595934 0.118E-03 0.301004 0.106E-02 0.005257 0.141E-04 17208.7457
|
||
|
1171 -263.595932 0.118E-03 0.300988 0.106E-02 0.005256 0.141E-04 17215.4330
|
||
|
1174 -263.595937 0.118E-03 0.301034 0.106E-02 0.005257 0.141E-04 17221.1451
|
||
|
1176 -263.595943 0.118E-03 0.301081 0.106E-02 0.005258 0.141E-04 17229.9038
|
||
|
1182 -263.595951 0.117E-03 0.301152 0.105E-02 0.005258 0.140E-04 17266.9152
|
||
|
1194 -263.595941 0.117E-03 0.301054 0.105E-02 0.005257 0.139E-04 17289.0117
|
||
|
1198 -263.595946 0.116E-03 0.301128 0.104E-02 0.005258 0.139E-04 17304.6016
|
||
|
1199 -263.595944 0.116E-03 0.301104 0.104E-02 0.005257 0.139E-04 17305.7206
|
||
|
1202 -263.595947 0.116E-03 0.301130 0.104E-02 0.005258 0.139E-04 17313.0950
|
||
|
1203 -263.595941 0.116E-03 0.301076 0.104E-02 0.005257 0.139E-04 17321.5117
|
||
|
1209 -263.595939 0.116E-03 0.301047 0.104E-02 0.005257 0.138E-04 17340.6123
|
||
|
1211 -263.595939 0.115E-03 0.301035 0.103E-02 0.005257 0.137E-04 17344.3414
|
||
|
1215 -263.595942 0.114E-03 0.301061 0.103E-02 0.005258 0.137E-04 17352.7387
|
||
|
1216 -263.595940 0.114E-03 0.301043 0.103E-02 0.005258 0.137E-04 17358.2395
|
||
|
1226 -263.595942 0.114E-03 0.301047 0.103E-02 0.005258 0.136E-04 17378.3649
|
||
|
1231 -263.595939 0.113E-03 0.301026 0.102E-02 0.005258 0.135E-04 17399.0469
|
||
|
1235 -263.595951 0.113E-03 0.301146 0.102E-02 0.005259 0.135E-04 17402.2822
|
||
|
1237 -263.595947 0.113E-03 0.301113 0.102E-02 0.005258 0.135E-04 17422.6013
|
||
|
1242 -263.595954 0.113E-03 0.301194 0.102E-02 0.005259 0.135E-04 17430.5761
|
||
|
1243 -263.595960 0.113E-03 0.301231 0.102E-02 0.005260 0.135E-04 17434.1491
|
||
|
1245 -263.595968 0.113E-03 0.301288 0.102E-02 0.005261 0.135E-04 17443.3739
|
||
|
1247 -263.595968 0.113E-03 0.301283 0.102E-02 0.005261 0.135E-04 17450.4521
|
||
|
1255 -263.595969 0.112E-03 0.301295 0.101E-02 0.005261 0.134E-04 17468.2864
|
||
|
1262 -263.595973 0.112E-03 0.301367 0.101E-02 0.005261 0.134E-04 17492.9296
|
||
|
1271 -263.595976 0.112E-03 0.301422 0.101E-02 0.005261 0.134E-04 17514.0720
|
||
|
1273 -263.595980 0.112E-03 0.301453 0.101E-02 0.005261 0.134E-04 17520.2867
|
||
|
1274 -263.595980 0.112E-03 0.301458 0.101E-02 0.005261 0.134E-04 17526.4048
|
||
|
1276 -263.595979 0.112E-03 0.301447 0.101E-02 0.005261 0.133E-04 17535.6183
|
||
|
1277 -263.595977 0.112E-03 0.301430 0.101E-02 0.005261 0.133E-04 17543.4104
|
||
|
1283 -263.595982 0.111E-03 0.301470 0.100E-02 0.005262 0.133E-04 17561.0421
|
||
|
1293 -263.595972 0.111E-03 0.301391 0.997E-03 0.005260 0.132E-04 17584.0017
|
||
|
1294 -263.595974 0.111E-03 0.301413 0.997E-03 0.005261 0.132E-04 17585.4809
|
||
|
1299 -263.595981 0.110E-03 0.301455 0.994E-03 0.005262 0.132E-04 17610.2541
|
||
|
1303 -263.595982 0.110E-03 0.301468 0.992E-03 0.005262 0.132E-04 17617.0443
|
||
|
1306 -263.595988 0.110E-03 0.301507 0.990E-03 0.005263 0.131E-04 17626.3670
|
||
|
1309 -263.595990 0.110E-03 0.301517 0.989E-03 0.005263 0.131E-04 17631.2521
|
||
|
1311 -263.596000 0.110E-03 0.301607 0.989E-03 0.005264 0.131E-04 17635.7341
|
||
|
1318 -263.595988 0.110E-03 0.301486 0.988E-03 0.005263 0.131E-04 17650.6278
|
||
|
1328 -263.595987 0.110E-03 0.301466 0.987E-03 0.005263 0.131E-04 17672.9751
|
||
|
1329 -263.595982 0.110E-03 0.301419 0.987E-03 0.005263 0.131E-04 17675.9772
|
||
|
1338 -263.595997 0.109E-03 0.301492 0.978E-03 0.005265 0.130E-04 17700.2763
|
||
|
1339 -263.596003 0.109E-03 0.301546 0.979E-03 0.005266 0.130E-04 17704.9803
|
||
|
1341 -263.595998 0.109E-03 0.301507 0.978E-03 0.005265 0.130E-04 17713.3975
|
||
|
1344 -263.595993 0.109E-03 0.301474 0.978E-03 0.005264 0.129E-04 17721.3035
|
||
|
1346 -263.595989 0.109E-03 0.301427 0.977E-03 0.005264 0.129E-04 17722.6162
|
||
|
1347 -263.595985 0.109E-03 0.301395 0.977E-03 0.005263 0.129E-04 17727.8332
|
||
|
1353 -263.595980 0.108E-03 0.301373 0.975E-03 0.005263 0.129E-04 17741.2766
|
||
|
1362 -263.595976 0.108E-03 0.301336 0.971E-03 0.005262 0.129E-04 17760.3754
|
||
|
1363 -263.595978 0.108E-03 0.301358 0.971E-03 0.005262 0.129E-04 17762.0235
|
||
|
1364 -263.595978 0.108E-03 0.301351 0.970E-03 0.005262 0.129E-04 17768.3104
|
||
|
1371 -263.595986 0.108E-03 0.301422 0.968E-03 0.005263 0.128E-04 17791.7952
|
||
|
1373 -263.595981 0.107E-03 0.301385 0.967E-03 0.005263 0.128E-04 17795.8761
|
||
|
1375 -263.595981 0.107E-03 0.301385 0.966E-03 0.005263 0.128E-04 17806.4290
|
||
|
1378 -263.595977 0.107E-03 0.301368 0.966E-03 0.005262 0.128E-04 17815.2002
|
||
|
1380 -263.595978 0.107E-03 0.301378 0.965E-03 0.005262 0.128E-04 17819.7066
|
||
|
1385 -263.595970 0.107E-03 0.301313 0.962E-03 0.005261 0.127E-04 17832.1615
|
||
|
1393 -263.595988 0.107E-03 0.301462 0.959E-03 0.005263 0.127E-04 17858.4941
|
||
|
1395 -263.595982 0.106E-03 0.301426 0.958E-03 0.005262 0.127E-04 17860.3281
|
||
|
1403 -263.595979 0.106E-03 0.301388 0.957E-03 0.005262 0.127E-04 17883.0591
|
||
|
1405 -263.595977 0.106E-03 0.301377 0.957E-03 0.005262 0.127E-04 17888.0992
|
||
|
1409 -263.595993 0.106E-03 0.301524 0.959E-03 0.005264 0.127E-04 17895.9994
|
||
|
1411 -263.595989 0.106E-03 0.301483 0.958E-03 0.005263 0.127E-04 17920.5882
|
||
|
1419 -263.595992 0.106E-03 0.301507 0.958E-03 0.005263 0.127E-04 17922.3675
|
||
|
1427 -263.596003 0.106E-03 0.301630 0.955E-03 0.005265 0.126E-04 17942.8620
|
||
|
1429 -263.596001 0.106E-03 0.301615 0.954E-03 0.005264 0.126E-04 17949.2497
|
||
|
1430 -263.596003 0.106E-03 0.301631 0.953E-03 0.005265 0.126E-04 17951.8090
|
||
|
1439 -263.596014 0.105E-03 0.301716 0.950E-03 0.005266 0.126E-04 17990.7012
|
||
|
1448 -263.596007 0.105E-03 0.301678 0.946E-03 0.005265 0.125E-04 17997.5058
|
||
|
1455 -263.596003 0.104E-03 0.301646 0.940E-03 0.005264 0.124E-04 18017.9997
|
||
|
1464 -263.595993 0.104E-03 0.301582 0.938E-03 0.005263 0.124E-04 18049.7901
|
||
|
1479 -263.595993 0.104E-03 0.301579 0.934E-03 0.005263 0.123E-04 18069.4401
|
||
|
1484 -263.595990 0.104E-03 0.301552 0.933E-03 0.005262 0.123E-04 18076.8183
|
||
|
1485 -263.595991 0.104E-03 0.301563 0.933E-03 0.005262 0.123E-04 18079.9685
|
||
|
1488 -263.595988 0.103E-03 0.301557 0.931E-03 0.005262 0.123E-04 18086.1622
|
||
|
1492 -263.595989 0.103E-03 0.301570 0.929E-03 0.005262 0.123E-04 18098.2979
|
||
|
1493 -263.595996 0.103E-03 0.301615 0.929E-03 0.005263 0.123E-04 18106.8736
|
||
|
1502 -263.595985 0.103E-03 0.301512 0.926E-03 0.005262 0.123E-04 18122.9514
|
||
|
1505 -263.595987 0.103E-03 0.301527 0.925E-03 0.005262 0.122E-04 18134.9277
|
||
|
1509 -263.595992 0.103E-03 0.301580 0.924E-03 0.005263 0.122E-04 18141.0850
|
||
|
1520 -263.595979 0.102E-03 0.301449 0.920E-03 0.005261 0.122E-04 18160.3502
|
||
|
1522 -263.595976 0.102E-03 0.301426 0.919E-03 0.005261 0.122E-04 18185.6497
|
||
|
1529 -263.595978 0.102E-03 0.301455 0.916E-03 0.005261 0.121E-04 18190.5007
|
||
|
1533 -263.595981 0.102E-03 0.301488 0.917E-03 0.005261 0.121E-04 18201.5858
|
||
|
1539 -263.595986 0.102E-03 0.301529 0.915E-03 0.005262 0.121E-04 18222.2942
|
||
|
1546 -263.595986 0.101E-03 0.301551 0.912E-03 0.005262 0.120E-04 18227.1737
|
||
|
1549 -263.595986 0.101E-03 0.301551 0.911E-03 0.005262 0.120E-04 18230.2638
|
||
|
1559 -263.595980 0.101E-03 0.301476 0.907E-03 0.005261 0.120E-04 18249.7468
|
||
|
1568 -263.595980 0.101E-03 0.301486 0.905E-03 0.005261 0.120E-04 18265.5684
|
||
|
1574 -263.595983 0.101E-03 0.301514 0.905E-03 0.005261 0.120E-04 18276.9120
|
||
|
1575 -263.595983 0.100E-03 0.301511 0.904E-03 0.005261 0.120E-04 18281.6377
|
||
|
1578 -263.595987 0.100E-03 0.301542 0.903E-03 0.005262 0.120E-04 18289.8759
|
||
|
1592 -263.595991 0.998E-04 0.301586 0.899E-03 0.005262 0.119E-04 18312.3935
|
||
|
1593 -263.595992 0.998E-04 0.301601 0.899E-03 0.005262 0.119E-04 18314.7035
|
||
|
1595 -263.595991 0.997E-04 0.301583 0.898E-03 0.005262 0.119E-04 18318.0549
|
||
|
1597 -263.595988 0.996E-04 0.301561 0.897E-03 0.005262 0.119E-04 18320.8720
|
||
|
1607 -263.595997 0.985E-04 0.301648 0.888E-03 0.005263 0.117E-04 18340.6428
|
||
|
1612 -263.595995 0.982E-04 0.301633 0.886E-03 0.005262 0.117E-04 18356.7566
|
||
|
1613 -263.595997 0.982E-04 0.301651 0.886E-03 0.005263 0.117E-04 18369.7188
|
||
|
1620 -263.596001 0.981E-04 0.301700 0.886E-03 0.005263 0.117E-04 18381.4030
|
||
|
1624 -263.596001 0.980E-04 0.301687 0.885E-03 0.005263 0.116E-04 18388.0492
|
||
|
1633 -263.596001 0.979E-04 0.301697 0.884E-03 0.005263 0.116E-04 18403.2575
|
||
|
1634 -263.595999 0.979E-04 0.301683 0.884E-03 0.005263 0.116E-04 18405.4600
|
||
|
1635 -263.596000 0.978E-04 0.301691 0.883E-03 0.005263 0.116E-04 18407.1452
|
||
|
1637 -263.595994 0.978E-04 0.301634 0.883E-03 0.005262 0.116E-04 18417.6953
|
||
|
1647 -263.595985 0.977E-04 0.301572 0.882E-03 0.005261 0.116E-04 18436.5020
|
||
|
1655 -263.595990 0.975E-04 0.301599 0.880E-03 0.005262 0.116E-04 18447.2395
|
||
|
1661 -263.595993 0.971E-04 0.301616 0.877E-03 0.005262 0.115E-04 18456.1069
|
||
|
1662 -263.595994 0.971E-04 0.301626 0.876E-03 0.005262 0.115E-04 18462.6691
|
||
|
1669 -263.595991 0.970E-04 0.301600 0.876E-03 0.005262 0.115E-04 18471.5800
|
||
|
1673 -263.595984 0.968E-04 0.301542 0.874E-03 0.005261 0.115E-04 18478.2501
|
||
|
1681 -263.595992 0.967E-04 0.301607 0.873E-03 0.005262 0.115E-04 18501.7081
|
||
|
1688 -263.595994 0.967E-04 0.301627 0.873E-03 0.005262 0.115E-04 18509.0989
|
||
|
1697 -263.595995 0.964E-04 0.301646 0.871E-03 0.005262 0.114E-04 18528.2276
|
||
|
1702 -263.596005 0.963E-04 0.301736 0.869E-03 0.005263 0.114E-04 18539.3070
|
||
|
1707 -263.596016 0.962E-04 0.301834 0.869E-03 0.005265 0.114E-04 18545.7820
|
||
|
1710 -263.596015 0.961E-04 0.301814 0.867E-03 0.005265 0.114E-04 18557.3869
|
||
|
1715 -263.596008 0.959E-04 0.301759 0.866E-03 0.005264 0.114E-04 18560.5272
|
||
|
1718 -263.596008 0.958E-04 0.301749 0.864E-03 0.005264 0.114E-04 18568.8010
|
||
|
1725 -263.596007 0.955E-04 0.301747 0.862E-03 0.005264 0.113E-04 18587.5265
|
||
|
1728 -263.596009 0.955E-04 0.301775 0.862E-03 0.005264 0.113E-04 18591.0122
|
||
|
1731 -263.596008 0.954E-04 0.301760 0.862E-03 0.005264 0.113E-04 18598.1602
|
||
|
1741 -263.596023 0.950E-04 0.301893 0.858E-03 0.005266 0.113E-04 18618.4759
|
||
|
1747 -263.596034 0.948E-04 0.301986 0.856E-03 0.005267 0.113E-04 18627.7254
|
||
|
1751 -263.596037 0.947E-04 0.302008 0.855E-03 0.005267 0.112E-04 18637.9624
|
||
|
1757 -263.596034 0.946E-04 0.301994 0.854E-03 0.005267 0.112E-04 18649.2725
|
||
|
1764 -263.596040 0.944E-04 0.302043 0.853E-03 0.005268 0.112E-04 18668.1897
|
||
|
1772 -263.596035 0.941E-04 0.301994 0.850E-03 0.005267 0.112E-04 18683.5506
|
||
|
1773 -263.596035 0.940E-04 0.301984 0.850E-03 0.005267 0.112E-04 18693.0611
|
||
|
1789 -263.596054 0.933E-04 0.302113 0.845E-03 0.005270 0.110E-04 18707.7207
|
||
|
1795 -263.596048 0.932E-04 0.302069 0.844E-03 0.005269 0.110E-04 18718.3465
|
||
|
1799 -263.596048 0.930E-04 0.302065 0.842E-03 0.005269 0.110E-04 18728.9629
|
||
|
1806 -263.596049 0.927E-04 0.302039 0.839E-03 0.005270 0.110E-04 18756.2817
|
||
|
1816 -263.596042 0.924E-04 0.301975 0.837E-03 0.005269 0.109E-04 18759.2428
|
||
|
1822 -263.596035 0.922E-04 0.301920 0.835E-03 0.005268 0.109E-04 18769.2100
|
||
|
1824 -263.596039 0.921E-04 0.301945 0.834E-03 0.005269 0.109E-04 18781.1747
|
||
|
1827 -263.596041 0.920E-04 0.301971 0.833E-03 0.005269 0.109E-04 18782.3683
|
||
|
1829 -263.596040 0.920E-04 0.301957 0.833E-03 0.005269 0.109E-04 18785.4308
|
||
|
1837 -263.596041 0.918E-04 0.301962 0.831E-03 0.005269 0.109E-04 18797.0384
|
||
|
1844 -263.596044 0.916E-04 0.302015 0.829E-03 0.005269 0.108E-04 18809.4466
|
||
|
1850 -263.596042 0.915E-04 0.302000 0.828E-03 0.005269 0.108E-04 18819.8253
|
||
|
1855 -263.596040 0.914E-04 0.301980 0.827E-03 0.005268 0.108E-04 18839.9264
|
||
|
1864 -263.596031 0.911E-04 0.301895 0.824E-03 0.005267 0.108E-04 18847.8721
|
||
|
1865 -263.596032 0.910E-04 0.301915 0.824E-03 0.005267 0.108E-04 18851.3992
|
||
|
1870 -263.596023 0.909E-04 0.301855 0.823E-03 0.005266 0.108E-04 18873.8775
|
||
|
1879 -263.596013 0.906E-04 0.301745 0.820E-03 0.005265 0.107E-04 18874.9730
|
||
|
1885 -263.596012 0.904E-04 0.301720 0.818E-03 0.005265 0.107E-04 18887.9400
|
||
|
1891 -263.596013 0.902E-04 0.301720 0.816E-03 0.005265 0.107E-04 18898.1006
|
||
|
1897 -263.596013 0.900E-04 0.301725 0.814E-03 0.005266 0.107E-04 18911.8458
|
||
|
1903 -263.596017 0.898E-04 0.301758 0.813E-03 0.005266 0.106E-04 18923.3502
|
||
|
1907 -263.596016 0.896E-04 0.301756 0.811E-03 0.005266 0.106E-04 18930.4562
|
||
|
1912 -263.596017 0.895E-04 0.301769 0.810E-03 0.005266 0.106E-04 18937.0156
|
||
|
1915 -263.596015 0.894E-04 0.301743 0.809E-03 0.005266 0.106E-04 18941.2612
|
||
|
1927 -263.596008 0.891E-04 0.301664 0.806E-03 0.005265 0.106E-04 18962.1027
|
||
|
1928 -263.596008 0.891E-04 0.301663 0.806E-03 0.005265 0.106E-04 18971.5935
|
||
|
1937 -263.596008 0.888E-04 0.301670 0.804E-03 0.005265 0.105E-04 18977.0825
|
||
|
1943 -263.596004 0.886E-04 0.301631 0.802E-03 0.005265 0.105E-04 18987.8240
|
||
|
1950 -263.596000 0.884E-04 0.301595 0.801E-03 0.005264 0.105E-04 18998.3227
|
||
|
1958 -263.596005 0.881E-04 0.301616 0.798E-03 0.005265 0.104E-04 19009.6407
|
||
|
1962 -263.596010 0.880E-04 0.301660 0.797E-03 0.005266 0.104E-04 19025.6994
|
||
|
1973 -263.596007 0.867E-04 0.301676 0.786E-03 0.005265 0.102E-04 19038.2074
|
||
|
2002 -263.595999 0.861E-04 0.301630 0.781E-03 0.005264 0.102E-04 19044.0059
|
||
|
2008 -263.595998 0.859E-04 0.301621 0.779E-03 0.005263 0.102E-04 19070.5914
|
||
|
2042 -263.596010 0.851E-04 0.301703 0.772E-03 0.005265 0.101E-04 19081.8116
|
||
|
2055 -263.596014 0.848E-04 0.301727 0.769E-03 0.005266 0.100E-04 19086.2371
|
||
|
2071 -263.596013 0.844E-04 0.301699 0.766E-03 0.005266 0.998E-05 19098.3961
|
||
|
2089 -263.596009 0.840E-04 0.301673 0.763E-03 0.005265 0.994E-05 19115.4637
|
||
|
2113 -263.596018 0.836E-04 0.301723 0.758E-03 0.005267 0.989E-05 19123.5410
|
||
|
2121 -263.596020 0.834E-04 0.301732 0.757E-03 0.005267 0.988E-05 19139.6594
|
||
|
2150 -263.596010 0.828E-04 0.301622 0.751E-03 0.005266 0.981E-05 19155.1631
|
||
|
2159 -263.596014 0.827E-04 0.301657 0.750E-03 0.005267 0.980E-05 19156.6500
|
||
|
2175 -263.596011 0.825E-04 0.301620 0.748E-03 0.005266 0.977E-05 19166.9445
|
||
|
2181 -263.596013 0.823E-04 0.301648 0.746E-03 0.005267 0.975E-05 19177.7160
|
||
|
2199 -263.596024 0.819E-04 0.301726 0.743E-03 0.005268 0.970E-05 19181.8053
|
||
|
2226 -263.596036 0.801E-04 0.301831 0.729E-03 0.005269 0.946E-05 19211.3218
|
||
|
2260 -263.596026 0.797E-04 0.301758 0.724E-03 0.005268 0.942E-05 19238.9518
|
||
|
2276 -263.596031 0.793E-04 0.301782 0.720E-03 0.005269 0.938E-05 19241.6327
|
||
|
2281 -263.596035 0.792E-04 0.301828 0.719E-03 0.005270 0.937E-05 19246.2860
|
||
|
2299 -263.596036 0.790E-04 0.301825 0.717E-03 0.005270 0.934E-05 19258.0689
|
||
|
2314 -263.596033 0.788E-04 0.301816 0.716E-03 0.005269 0.932E-05 19274.1986
|
||
|
2352 -263.596045 0.782E-04 0.301907 0.710E-03 0.005271 0.926E-05 19292.8670
|
||
|
2364 -263.596052 0.780E-04 0.301957 0.707E-03 0.005271 0.923E-05 19296.1080
|
||
|
2367 -263.596052 0.780E-04 0.301960 0.707E-03 0.005272 0.923E-05 19305.0572
|
||
|
2392 -263.596049 0.776E-04 0.301955 0.704E-03 0.005271 0.918E-05 19327.6518
|
||
|
2393 -263.596049 0.776E-04 0.301948 0.704E-03 0.005271 0.918E-05 19372.1338
|
||
|
2504 -263.596039 0.750E-04 0.301841 0.680E-03 0.005270 0.887E-05 19374.8835
|
||
|
2512 -263.596039 0.748E-04 0.301841 0.679E-03 0.005270 0.885E-05 19376.0358
|
||
|
2518 -263.596042 0.748E-04 0.301869 0.678E-03 0.005271 0.884E-05 19381.1614
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
5.270204756880969E-003
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 15.278233 GB ] [ VIRT MEM : 26.774353 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 203519.009803 s ] [ CPU TIME: ************** s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 20971486
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 15.278244 GB ] [ VIRT MEM : 26.774353 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 203519.615298 s ] [ CPU TIME: ************** s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 20971486
|
||
|
* pt2_n_tasks_max 870
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.9561387349550556
|
||
|
|
||
|
Summary at N_det = 20971520
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.55714241
|
||
|
# PT2 -0.03889760 0.00007458
|
||
|
# rPT2 -0.03869368 0.00007418
|
||
|
#
|
||
|
# E+PT2 -263.59604001 0.00007458
|
||
|
# E+rPT2 -263.59583609 0.00007418
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 20971520
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 2.934116322372235E-003
|
||
|
E = -263.557142413298
|
||
|
Variance = 0.301860237804566 +/- 6.769915321219688E-004
|
||
|
PT norm = 7.259617591086302E-002 +/- 6.070381130396499E-005
|
||
|
PT2 = -3.889759867657457E-002 +/- 7.457596937402063E-005
|
||
|
rPT2 = -3.869367508607473E-002 +/- 7.418499923814654E-005
|
||
|
E+PT2 = -263.596040011975 +/- 7.457596937402063E-005
|
||
|
E+rPT2 = -263.595836088384 +/- 7.418499923814654E-005
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.63421883137
|
||
|
Vee = 296.444050825163
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.381485372463
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.0453 -263.61336010
|
||
|
-0.0524 -263.61405995
|
||
|
-0.0602 -263.61454102
|
||
|
-0.0691 -263.61390024
|
||
|
-0.0788 -263.61341861
|
||
|
-0.0896 -263.61282655
|
||
|
-0.1016 -263.61249400
|
||
|
=========== ===================
|
||
|
|
||
|
* Number of unique alpha determinants 1881369
|
||
|
* Number of unique beta determinants 1880602
|
||
|
|
||
|
.. >>>>> [ RES MEM : 22.969784 GB ] [ VIRT MEM : 33.697380 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 204583.869253 s ] [ CPU TIME: ************** s ] <<<<< ..
|
||
|
|
||
|
|
||
|
Davidson Diagonalization
|
||
|
------------------------
|
||
|
|
||
|
* Number of states 1
|
||
|
* Number of states in diagonalization 4
|
||
|
* Number of determinants 41943040
|
||
|
* Number of threads for diagonalization 128
|
||
|
* Memory(Gb) 68.62532532960176
|
||
|
|
||
|
===== ================ =========== ===========
|
||
|
Iter Energy S^2 Residual
|
||
|
===== ================ =========== ===========
|
||
|
0 -263.5571424133 0.002934 0.124E-02
|
||
|
1 -263.5654666353 0.002485 0.966E-04
|
||
|
2 -263.5656455034 0.002511 0.870E-05
|
||
|
3 -263.5656704677 0.002532 0.123E-05
|
||
|
4 -263.5656759137 0.002531 0.339E-06
|
||
|
5 -263.5656773040 0.002525 0.806E-07
|
||
|
6 -263.5656776502 0.002523 0.247E-07
|
||
|
7 -263.5656777513 0.002522 0.725E-08
|
||
|
8 -263.5656777811 0.002522 0.239E-08
|
||
|
9 -263.5656777902 0.002522 0.675E-09
|
||
|
10 -263.5656777931 0.002522 0.191E-09
|
||
|
11 -263.5656777939 0.002522 0.508E-10
|
||
|
====== ================ =========== ===========
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 68.633011 GB ] [ VIRT MEM : 85.005638 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 216308.348739 s ] [ CPU TIME: ************** s ] <<<<< ..
|
||
|
|
||
|
|
||
|
.. >>>>> [ RES MEM : 22.695530 GB ] [ VIRT MEM : 33.440678 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 216312.747956 s ] [ CPU TIME: ************** s ] <<<<< ..
|
||
|
|
||
|
* Energy of state 1 -263.5656777938549
|
||
|
* S^2 of state 1 0.2521786886452211E-02
|
||
|
* Saved determinants 41943040
|
||
|
--------------------------------------------------------------------------------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 22.688889 GB ] [ VIRT MEM : 33.440678 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 216603.642778 s ] [ CPU TIME: ************** s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 41942959
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 23.378349 GB ] [ VIRT MEM : 34.225651 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 216629.512999 s ] [ CPU TIME: ************** s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 41942959
|
||
|
* pt2_n_tasks_max 870
|
||
|
* PT2 Energy denominator -263.5656777938549
|
||
|
|
||
|
.. >>>>> [ RES MEM : 29.684959 GB ] [ VIRT MEM : 40.459042 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 216663.567113 s ] [ CPU TIME: ************** s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 41942959
|
||
|
* Number of comb teeth 100
|
||
|
|
||
|
.. >>>>> [ RES MEM : 29.684959 GB ] [ VIRT MEM : 40.459042 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 216664.491927 s ] [ CPU TIME: ************** s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 41942959
|
||
|
* pt2_n_tasks_max 870
|
||
|
* Number of tasks 42693373
|
||
|
* Number of fragmented tasks 13765
|
||
|
* Number of threads for PT2 128
|
||
|
* Memory (Gb) 62.58763504747301
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Samples Energy Variance Norm^2 Seconds
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
3 -263.592738 0.138E-02 0.212679 0.105E-01 0.003618 0.185E-03 4105.1789
|
||
|
4 -263.593602 0.132E-02 0.218933 0.983E-02 0.003739 0.182E-03 4868.6769
|
||
|
5 -263.594865 0.168E-02 0.232032 0.158E-01 0.003868 0.195E-03 5495.1562
|
||
|
6 -263.594922 0.135E-02 0.233542 0.129E-01 0.003861 0.157E-03 6142.2437
|
||
|
7 -263.595280 0.119E-02 0.236229 0.111E-01 0.003910 0.141E-03 6537.8890
|
||
|
8 -263.595386 0.103E-02 0.237291 0.963E-02 0.003919 0.122E-03 7165.5647
|
||
|
9 -263.596004 0.111E-02 0.241331 0.944E-02 0.004012 0.143E-03 7811.7011
|
||
|
10 -263.596110 0.996E-03 0.243288 0.866E-02 0.004010 0.128E-03 7985.4624
|
||
|
11 -263.596447 0.962E-03 0.245193 0.805E-02 0.004064 0.128E-03 8101.1043
|
||
|
12 -263.596651 0.900E-03 0.246718 0.748E-02 0.004091 0.120E-03 8460.9439
|
||
|
13 -263.597012 0.905E-03 0.249492 0.743E-02 0.004140 0.121E-03 8566.8652
|
||
|
14 -263.596836 0.855E-03 0.247032 0.731E-02 0.004134 0.112E-03 8892.6374
|
||
|
15 -263.597264 0.906E-03 0.251017 0.791E-02 0.004181 0.114E-03 9203.5919
|
||
|
17 -263.597451 0.869E-03 0.252265 0.720E-02 0.004211 0.116E-03 9320.0250
|
||
|
18 -263.597745 0.871E-03 0.255319 0.746E-02 0.004240 0.113E-03 9543.4894
|
||
|
19 -263.597863 0.832E-03 0.256739 0.719E-02 0.004247 0.107E-03 9991.9273
|
||
|
20 -263.597929 0.791E-03 0.257259 0.684E-02 0.004255 0.102E-03 10396.3435
|
||
|
21 -263.598330 0.854E-03 0.261412 0.773E-02 0.004296 0.106E-03 10439.1097
|
||
|
22 -263.598434 0.820E-03 0.262549 0.746E-02 0.004304 0.101E-03 10589.3657
|
||
|
23 -263.598356 0.787E-03 0.261096 0.727E-02 0.004306 0.963E-04 10714.3727
|
||
|
24 -263.598448 0.759E-03 0.262142 0.704E-02 0.004314 0.925E-04 10933.3502
|
||
|
25 -263.598392 0.731E-03 0.261455 0.679E-02 0.004311 0.887E-04 10996.6045
|
||
|
26 -263.598621 0.739E-03 0.263634 0.688E-02 0.004335 0.886E-04 11077.2537
|
||
|
27 -263.598844 0.745E-03 0.265546 0.689E-02 0.004362 0.897E-04 11510.2517
|
||
|
28 -263.599160 0.787E-03 0.268058 0.712E-02 0.004404 0.965E-04 11903.3406
|
||
|
29 -263.599058 0.767E-03 0.267046 0.695E-02 0.004393 0.939E-04 12151.5372
|
||
|
30 -263.599030 0.742E-03 0.266475 0.675E-02 0.004395 0.906E-04 12446.4535
|
||
|
31 -263.599010 0.717E-03 0.266401 0.652E-02 0.004390 0.877E-04 12518.6408
|
||
|
32 -263.598981 0.695E-03 0.266345 0.632E-02 0.004384 0.851E-04 12811.5235
|
||
|
33 -263.598944 0.675E-03 0.266161 0.613E-02 0.004378 0.826E-04 12886.9080
|
||
|
34 -263.599069 0.666E-03 0.267398 0.607E-02 0.004390 0.810E-04 13188.7606
|
||
|
35 -263.599072 0.647E-03 0.267228 0.590E-02 0.004392 0.786E-04 13305.3061
|
||
|
36 -263.598978 0.636E-03 0.266342 0.580E-02 0.004382 0.771E-04 13399.0193
|
||
|
37 -263.598793 0.646E-03 0.264778 0.586E-02 0.004359 0.785E-04 13453.9814
|
||
|
38 -263.598835 0.630E-03 0.265414 0.574E-02 0.004360 0.764E-04 13541.4530
|
||
|
39 -263.598900 0.617E-03 0.265866 0.560E-02 0.004369 0.749E-04 13674.8343
|
||
|
40 -263.599065 0.623E-03 0.267247 0.563E-02 0.004389 0.758E-04 13742.7379
|
||
|
41 -263.599078 0.608E-03 0.268072 0.556E-02 0.004382 0.742E-04 13969.0792
|
||
|
42 -263.599157 0.598E-03 0.268673 0.545E-02 0.004393 0.732E-04 14161.1661
|
||
|
43 -263.599262 0.594E-03 0.269385 0.537E-02 0.004409 0.732E-04 14383.8942
|
||
|
44 -263.599126 0.596E-03 0.268143 0.539E-02 0.004393 0.733E-04 14452.6107
|
||
|
45 -263.599129 0.582E-03 0.267758 0.528E-02 0.004400 0.717E-04 14560.8326
|
||
|
46 -263.599049 0.575E-03 0.267030 0.522E-02 0.004390 0.708E-04 14580.8818
|
||
|
47 -263.599165 0.575E-03 0.268100 0.522E-02 0.004403 0.704E-04 14811.8904
|
||
|
48 -263.599287 0.575E-03 0.269225 0.524E-02 0.004416 0.700E-04 14886.2254
|
||
|
49 -263.599348 0.567E-03 0.269853 0.517E-02 0.004421 0.688E-04 14953.6319
|
||
|
50 -263.599405 0.558E-03 0.270391 0.509E-02 0.004427 0.677E-04 15089.8560
|
||
|
51 -263.599390 0.547E-03 0.270257 0.499E-02 0.004426 0.663E-04 15166.6329
|
||
|
52 -263.599417 0.537E-03 0.270603 0.490E-02 0.004427 0.651E-04 15244.6015
|
||
|
53 -263.599373 0.529E-03 0.270098 0.484E-02 0.004423 0.639E-04 15354.1152
|
||
|
54 -263.599283 0.526E-03 0.269257 0.482E-02 0.004414 0.634E-04 15459.6417
|
||
|
55 -263.599347 0.521E-03 0.269730 0.475E-02 0.004423 0.630E-04 15496.5105
|
||
|
56 -263.599389 0.513E-03 0.270012 0.467E-02 0.004428 0.621E-04 15549.6393
|
||
|
58 -263.599322 0.504E-03 0.269505 0.463E-02 0.004420 0.607E-04 15633.3758
|
||
|
59 -263.599348 0.497E-03 0.269975 0.458E-02 0.004419 0.596E-04 15637.3711
|
||
|
60 -263.599482 0.506E-03 0.271145 0.465E-02 0.004435 0.608E-04 15677.7318
|
||
|
61 -263.599458 0.499E-03 0.270777 0.459E-02 0.004435 0.598E-04 15727.4335
|
||
|
62 -263.599402 0.494E-03 0.270219 0.455E-02 0.004430 0.590E-04 15801.7601
|
||
|
63 -263.599423 0.486E-03 0.270336 0.448E-02 0.004433 0.582E-04 15856.3056
|
||
|
64 -263.599495 0.485E-03 0.271081 0.448E-02 0.004441 0.577E-04 15899.0692
|
||
|
65 -263.599412 0.484E-03 0.270278 0.448E-02 0.004432 0.576E-04 15903.5616
|
||
|
67 -263.599415 0.483E-03 0.270084 0.446E-02 0.004435 0.575E-04 15982.4730
|
||
|
68 -263.599551 0.495E-03 0.271407 0.459E-02 0.004449 0.584E-04 16031.7700
|
||
|
69 -263.599489 0.492E-03 0.270805 0.456E-02 0.004442 0.580E-04 16080.5774
|
||
|
71 -263.599312 0.498E-03 0.269462 0.457E-02 0.004418 0.591E-04 16174.0840
|
||
|
72 -263.599400 0.499E-03 0.270077 0.455E-02 0.004431 0.596E-04 16212.2619
|
||
|
74 -263.599393 0.486E-03 0.269885 0.443E-02 0.004431 0.581E-04 16339.2272
|
||
|
75 -263.599384 0.480E-03 0.269804 0.438E-02 0.004431 0.573E-04 16353.1320
|
||
|
76 -263.599259 0.489E-03 0.268726 0.445E-02 0.004416 0.585E-04 16390.5998
|
||
|
77 -263.599198 0.487E-03 0.268145 0.443E-02 0.004409 0.581E-04 16508.0990
|
||
|
78 -263.599213 0.481E-03 0.268176 0.437E-02 0.004412 0.575E-04 16570.4916
|
||
|
80 -263.599239 0.471E-03 0.268437 0.428E-02 0.004415 0.562E-04 16629.7464
|
||
|
81 -263.599257 0.465E-03 0.268409 0.423E-02 0.004419 0.557E-04 16700.3864
|
||
|
82 -263.599210 0.462E-03 0.268015 0.420E-02 0.004413 0.553E-04 16747.9150
|
||
|
83 -263.599182 0.457E-03 0.267839 0.415E-02 0.004409 0.548E-04 16779.1615
|
||
|
84 -263.599164 0.452E-03 0.267774 0.410E-02 0.004406 0.542E-04 16874.2072
|
||
|
85 -263.599186 0.447E-03 0.267908 0.405E-02 0.004409 0.537E-04 16907.2908
|
||
|
86 -263.599260 0.447E-03 0.268567 0.406E-02 0.004418 0.536E-04 16957.6854
|
||
|
87 -263.599307 0.445E-03 0.268994 0.403E-02 0.004423 0.532E-04 17061.7109
|
||
|
89 -263.599201 0.443E-03 0.268173 0.400E-02 0.004409 0.531E-04 17097.7737
|
||
|
91 -263.599163 0.440E-03 0.267691 0.396E-02 0.004406 0.531E-04 17166.2438
|
||
|
92 -263.599209 0.438E-03 0.268077 0.394E-02 0.004412 0.528E-04 17240.4984
|
||
|
93 -263.599139 0.439E-03 0.267536 0.393E-02 0.004402 0.531E-04 17307.6496
|
||
|
95 -263.599122 0.434E-03 0.267373 0.389E-02 0.004400 0.524E-04 17341.0729
|
||
|
96 -263.599103 0.430E-03 0.267243 0.385E-02 0.004397 0.520E-04 17416.3317
|
||
|
97 -263.599067 0.427E-03 0.266936 0.382E-02 0.004393 0.516E-04 17482.7949
|
||
|
98 -263.599071 0.423E-03 0.267073 0.379E-02 0.004392 0.511E-04 17516.4312
|
||
|
100 -263.598973 0.422E-03 0.266289 0.378E-02 0.004380 0.510E-04 17582.0333
|
||
|
101 -263.598993 0.418E-03 0.266520 0.375E-02 0.004381 0.505E-04 17591.4778
|
||
|
103 -263.599052 0.415E-03 0.267075 0.373E-02 0.004388 0.499E-04 17660.1896
|
||
|
104 -263.599008 0.414E-03 0.266611 0.373E-02 0.004384 0.496E-04 17713.1690
|
||
|
105 -263.598997 0.410E-03 0.266527 0.369E-02 0.004382 0.492E-04 17809.1932
|
||
|
107 -263.598948 0.404E-03 0.266008 0.365E-02 0.004377 0.484E-04 17835.9703
|
||
|
109 -263.598974 0.406E-03 0.266280 0.366E-02 0.004379 0.486E-04 17873.2369
|
||
|
110 -263.599021 0.405E-03 0.266627 0.364E-02 0.004386 0.485E-04 17952.9202
|
||
|
111 -263.599030 0.401E-03 0.266675 0.361E-02 0.004388 0.481E-04 18013.7367
|
||
|
113 -263.598987 0.399E-03 0.266152 0.360E-02 0.004384 0.477E-04 18052.8935
|
||
|
114 -263.598985 0.395E-03 0.266136 0.357E-02 0.004384 0.473E-04 18164.8046
|
||
|
115 -263.598982 0.392E-03 0.266034 0.354E-02 0.004385 0.469E-04 18188.4485
|
||
|
117 -263.598994 0.386E-03 0.266079 0.348E-02 0.004387 0.462E-04 18227.6018
|
||
|
118 -263.598990 0.383E-03 0.266097 0.345E-02 0.004386 0.458E-04 18278.9705
|
||
|
119 -263.598962 0.381E-03 0.265888 0.344E-02 0.004382 0.456E-04 18291.0630
|
||
|
120 -263.598945 0.379E-03 0.265744 0.341E-02 0.004380 0.453E-04 18363.7195
|
||
|
122 -263.598916 0.374E-03 0.265591 0.336E-02 0.004376 0.447E-04 18405.7647
|
||
|
123 -263.598918 0.370E-03 0.265597 0.334E-02 0.004376 0.443E-04 18513.5006
|
||
|
124 -263.598891 0.368E-03 0.265333 0.332E-02 0.004374 0.441E-04 18581.0348
|
||
|
125 -263.598917 0.366E-03 0.265586 0.330E-02 0.004376 0.438E-04 18665.5245
|
||
|
126 -263.598932 0.364E-03 0.265668 0.328E-02 0.004378 0.435E-04 18715.8611
|
||
|
128 -263.598891 0.360E-03 0.265356 0.324E-02 0.004373 0.430E-04 18807.1648
|
||
|
129 -263.598890 0.357E-03 0.265433 0.321E-02 0.004371 0.427E-04 18827.2467
|
||
|
130 -263.598848 0.356E-03 0.265054 0.321E-02 0.004367 0.426E-04 18832.5153
|
||
|
131 -263.598821 0.355E-03 0.264808 0.320E-02 0.004363 0.424E-04 18889.5934
|
||
|
134 -263.598748 0.354E-03 0.264182 0.318E-02 0.004354 0.424E-04 18931.6050
|
||
|
135 -263.598741 0.351E-03 0.264193 0.316E-02 0.004353 0.421E-04 19022.5788
|
||
|
136 -263.598739 0.349E-03 0.264175 0.313E-02 0.004352 0.418E-04 19056.5850
|
||
|
137 -263.598751 0.346E-03 0.264254 0.311E-02 0.004354 0.415E-04 19106.0822
|
||
|
138 -263.598762 0.344E-03 0.264370 0.309E-02 0.004355 0.412E-04 19191.3982
|
||
|
139 -263.598774 0.342E-03 0.264490 0.307E-02 0.004356 0.409E-04 19204.4141
|
||
|
141 -263.598739 0.338E-03 0.264123 0.304E-02 0.004353 0.405E-04 19234.7093
|
||
|
142 -263.598772 0.337E-03 0.264453 0.304E-02 0.004357 0.404E-04 19283.3268
|
||
|
143 -263.598783 0.335E-03 0.264580 0.302E-02 0.004357 0.401E-04 19381.4312
|
||
|
144 -263.598797 0.333E-03 0.264674 0.300E-02 0.004359 0.398E-04 19410.1107
|
||
|
146 -263.598791 0.329E-03 0.264582 0.296E-02 0.004359 0.393E-04 19460.1404
|
||
|
147 -263.598808 0.327E-03 0.264701 0.294E-02 0.004362 0.391E-04 19541.4301
|
||
|
148 -263.598834 0.326E-03 0.264933 0.293E-02 0.004365 0.390E-04 19574.8552
|
||
|
149 -263.598830 0.323E-03 0.264997 0.291E-02 0.004363 0.387E-04 19584.6120
|
||
|
150 -263.598800 0.323E-03 0.264720 0.291E-02 0.004360 0.386E-04 19636.1706
|
||
|
151 -263.598796 0.321E-03 0.264641 0.289E-02 0.004360 0.383E-04 19685.8183
|
||
|
152 -263.598755 0.321E-03 0.264255 0.290E-02 0.004356 0.383E-04 19762.6600
|
||
|
153 -263.598751 0.319E-03 0.264224 0.288E-02 0.004355 0.381E-04 19811.2561
|
||
|
154 -263.598763 0.317E-03 0.264366 0.286E-02 0.004356 0.378E-04 19892.8871
|
||
|
155 -263.598772 0.315E-03 0.264426 0.285E-02 0.004357 0.376E-04 19937.6663
|
||
|
156 -263.598778 0.313E-03 0.264453 0.283E-02 0.004358 0.374E-04 19987.2532
|
||
|
157 -263.598732 0.315E-03 0.264052 0.284E-02 0.004353 0.376E-04 20041.4127
|
||
|
158 -263.598737 0.313E-03 0.264084 0.282E-02 0.004353 0.373E-04 20066.7034
|
||
|
159 -263.598688 0.315E-03 0.263681 0.283E-02 0.004347 0.376E-04 20111.4974
|
||
|
160 -263.598659 0.314E-03 0.263429 0.283E-02 0.004344 0.375E-04 20162.3615
|
||
|
162 -263.598689 0.311E-03 0.263746 0.280E-02 0.004346 0.371E-04 20215.7157
|
||
|
163 -263.598696 0.309E-03 0.263800 0.279E-02 0.004347 0.369E-04 20288.2516
|
||
|
165 -263.598735 0.307E-03 0.264114 0.276E-02 0.004352 0.367E-04 20340.2972
|
||
|
167 -263.598732 0.304E-03 0.264170 0.274E-02 0.004351 0.363E-04 20409.2197
|
||
|
168 -263.598767 0.304E-03 0.264428 0.273E-02 0.004356 0.364E-04 20419.8393
|
||
|
169 -263.598754 0.303E-03 0.264304 0.272E-02 0.004355 0.362E-04 20466.8052
|
||
|
170 -263.598719 0.303E-03 0.264016 0.272E-02 0.004350 0.363E-04 20517.8121
|
||
|
171 -263.598739 0.302E-03 0.264220 0.271E-02 0.004352 0.361E-04 20596.4709
|
||
|
172 -263.598746 0.300E-03 0.264275 0.270E-02 0.004353 0.359E-04 20648.5122
|
||
|
174 -263.598744 0.297E-03 0.264262 0.267E-02 0.004353 0.357E-04 20693.7639
|
||
|
175 -263.598755 0.296E-03 0.264344 0.266E-02 0.004354 0.355E-04 20782.2362
|
||
|
176 -263.598783 0.296E-03 0.264617 0.266E-02 0.004357 0.354E-04 20825.9307
|
||
|
177 -263.598825 0.297E-03 0.265017 0.267E-02 0.004361 0.355E-04 20869.6894
|
||
|
181 -263.598848 0.291E-03 0.265308 0.262E-02 0.004363 0.348E-04 20999.0893
|
||
|
182 -263.598865 0.290E-03 0.265441 0.261E-02 0.004365 0.346E-04 21003.9436
|
||
|
183 -263.598860 0.288E-03 0.265406 0.259E-02 0.004364 0.345E-04 21046.0475
|
||
|
186 -263.598850 0.286E-03 0.265266 0.258E-02 0.004364 0.342E-04 21052.1365
|
||
|
187 -263.598874 0.286E-03 0.265463 0.257E-02 0.004367 0.341E-04 21120.2979
|
||
|
188 -263.598855 0.285E-03 0.265261 0.256E-02 0.004365 0.340E-04 21199.7467
|
||
|
190 -263.598831 0.283E-03 0.265046 0.255E-02 0.004362 0.337E-04 21221.8482
|
||
|
191 -263.598811 0.282E-03 0.264865 0.254E-02 0.004360 0.336E-04 21295.4714
|
||
|
192 -263.598819 0.280E-03 0.264921 0.253E-02 0.004361 0.334E-04 21337.5763
|
||
|
193 -263.598804 0.279E-03 0.264774 0.252E-02 0.004360 0.333E-04 21382.1775
|
||
|
194 -263.598774 0.279E-03 0.264544 0.252E-02 0.004356 0.333E-04 21397.8776
|
||
|
195 -263.598769 0.278E-03 0.264483 0.251E-02 0.004355 0.331E-04 21409.7904
|
||
|
196 -263.598756 0.277E-03 0.264322 0.250E-02 0.004354 0.330E-04 21479.0028
|
||
|
197 -263.598761 0.276E-03 0.264319 0.249E-02 0.004355 0.328E-04 21513.0781
|
||
|
198 -263.598767 0.274E-03 0.264347 0.247E-02 0.004356 0.327E-04 21562.2231
|
||
|
199 -263.598759 0.273E-03 0.264283 0.246E-02 0.004355 0.325E-04 21571.9400
|
||
|
202 -263.598777 0.272E-03 0.264320 0.245E-02 0.004359 0.326E-04 21663.3518
|
||
|
203 -263.598768 0.271E-03 0.264221 0.244E-02 0.004358 0.325E-04 21695.1108
|
||
|
204 -263.598760 0.270E-03 0.264142 0.243E-02 0.004357 0.324E-04 21706.9010
|
||
|
205 -263.598755 0.269E-03 0.264148 0.242E-02 0.004356 0.322E-04 21715.2860
|
||
|
206 -263.598756 0.268E-03 0.264207 0.240E-02 0.004356 0.321E-04 21741.9693
|
||
|
207 -263.598741 0.267E-03 0.264072 0.240E-02 0.004354 0.320E-04 21751.7783
|
||
|
208 -263.598729 0.266E-03 0.263998 0.239E-02 0.004352 0.319E-04 21823.8314
|
||
|
209 -263.598707 0.265E-03 0.263818 0.238E-02 0.004349 0.318E-04 21827.7763
|
||
|
210 -263.598684 0.265E-03 0.263607 0.238E-02 0.004347 0.318E-04 21834.3845
|
||
|
211 -263.598703 0.264E-03 0.263735 0.237E-02 0.004350 0.318E-04 21856.3749
|
||
|
212 -263.598695 0.263E-03 0.263617 0.236E-02 0.004349 0.316E-04 21872.3072
|
||
|
213 -263.598662 0.264E-03 0.263302 0.237E-02 0.004346 0.316E-04 21891.5185
|
||
|
214 -263.598647 0.264E-03 0.263145 0.237E-02 0.004344 0.316E-04 21924.7630
|
||
|
215 -263.598650 0.262E-03 0.263166 0.236E-02 0.004344 0.314E-04 21938.6608
|
||
|
216 -263.598630 0.262E-03 0.262995 0.235E-02 0.004342 0.314E-04 22030.3462
|
||
|
217 -263.598640 0.261E-03 0.263069 0.234E-02 0.004344 0.313E-04 22061.7463
|
||
|
218 -263.598651 0.260E-03 0.263176 0.234E-02 0.004345 0.312E-04 22104.0418
|
||
|
221 -263.598711 0.260E-03 0.263654 0.233E-02 0.004353 0.312E-04 22215.8519
|
||
|
222 -263.598710 0.259E-03 0.263638 0.232E-02 0.004353 0.311E-04 22220.4091
|
||
|
223 -263.598685 0.259E-03 0.263382 0.232E-02 0.004350 0.310E-04 22240.4661
|
||
|
224 -263.598672 0.258E-03 0.263240 0.232E-02 0.004349 0.309E-04 22284.5307
|
||
|
227 -263.598708 0.256E-03 0.263563 0.229E-02 0.004353 0.307E-04 22361.4968
|
||
|
228 -263.598702 0.255E-03 0.263537 0.228E-02 0.004352 0.306E-04 22418.3145
|
||
|
229 -263.598681 0.254E-03 0.263341 0.228E-02 0.004350 0.306E-04 22463.7065
|
||
|
231 -263.598663 0.253E-03 0.263184 0.227E-02 0.004348 0.304E-04 22537.5997
|
||
|
232 -263.598692 0.254E-03 0.263442 0.227E-02 0.004351 0.305E-04 22593.0244
|
||
|
234 -263.598691 0.252E-03 0.263419 0.226E-02 0.004351 0.302E-04 22628.0197
|
||
|
235 -263.598680 0.251E-03 0.263317 0.225E-02 0.004350 0.301E-04 22640.9478
|
||
|
238 -263.598677 0.248E-03 0.263340 0.223E-02 0.004349 0.298E-04 22694.9348
|
||
|
239 -263.598663 0.248E-03 0.263203 0.223E-02 0.004347 0.297E-04 22718.5307
|
||
|
241 -263.598657 0.246E-03 0.263108 0.221E-02 0.004347 0.294E-04 22745.1985
|
||
|
242 -263.598683 0.246E-03 0.263398 0.222E-02 0.004349 0.294E-04 22767.3789
|
||
|
244 -263.598713 0.245E-03 0.263737 0.221E-02 0.004352 0.292E-04 22822.6716
|
||
|
245 -263.598718 0.244E-03 0.263744 0.221E-02 0.004353 0.291E-04 22870.6888
|
||
|
247 -263.598724 0.242E-03 0.263759 0.219E-02 0.004354 0.289E-04 22896.0040
|
||
|
248 -263.598734 0.241E-03 0.263832 0.218E-02 0.004356 0.288E-04 22942.7521
|
||
|
250 -263.598709 0.241E-03 0.263594 0.218E-02 0.004353 0.288E-04 22977.9186
|
||
|
251 -263.598712 0.240E-03 0.263651 0.217E-02 0.004353 0.287E-04 23001.4924
|
||
|
252 -263.598696 0.240E-03 0.263494 0.216E-02 0.004351 0.286E-04 23054.1573
|
||
|
253 -263.598699 0.239E-03 0.263463 0.216E-02 0.004352 0.285E-04 23070.5493
|
||
|
254 -263.598673 0.239E-03 0.263222 0.216E-02 0.004350 0.285E-04 23095.0083
|
||
|
255 -263.598650 0.239E-03 0.263040 0.216E-02 0.004347 0.286E-04 23120.4684
|
||
|
256 -263.598655 0.238E-03 0.263130 0.215E-02 0.004347 0.284E-04 23155.7921
|
||
|
257 -263.598664 0.238E-03 0.263219 0.215E-02 0.004348 0.283E-04 23182.8737
|
||
|
258 -263.598662 0.237E-03 0.263177 0.214E-02 0.004348 0.282E-04 23250.6253
|
||
|
259 -263.598675 0.236E-03 0.263230 0.213E-02 0.004350 0.282E-04 23294.0658
|
||
|
260 -263.598658 0.236E-03 0.263081 0.213E-02 0.004348 0.282E-04 23328.5436
|
||
|
262 -263.598629 0.235E-03 0.262812 0.212E-02 0.004345 0.281E-04 23359.2748
|
||
|
263 -263.598619 0.234E-03 0.262747 0.211E-02 0.004343 0.280E-04 23414.0187
|
||
|
264 -263.598632 0.234E-03 0.262852 0.211E-02 0.004345 0.279E-04 23444.4887
|
||
|
266 -263.598698 0.237E-03 0.263401 0.213E-02 0.004353 0.283E-04 23505.5917
|
||
|
267 -263.598704 0.236E-03 0.263436 0.212E-02 0.004354 0.283E-04 23539.0353
|
||
|
269 -263.598722 0.235E-03 0.263638 0.211E-02 0.004355 0.281E-04 23592.9950
|
||
|
270 -263.598726 0.234E-03 0.263645 0.210E-02 0.004356 0.280E-04 23621.2695
|
||
|
271 -263.598722 0.233E-03 0.263617 0.209E-02 0.004356 0.279E-04 23651.2025
|
||
|
272 -263.598742 0.233E-03 0.263793 0.209E-02 0.004358 0.279E-04 23716.6111
|
||
|
275 -263.598727 0.231E-03 0.263693 0.207E-02 0.004356 0.277E-04 23765.1154
|
||
|
276 -263.598713 0.230E-03 0.263533 0.207E-02 0.004354 0.276E-04 23794.5671
|
||
|
277 -263.598691 0.231E-03 0.263346 0.207E-02 0.004352 0.276E-04 23829.6737
|
||
|
279 -263.598710 0.229E-03 0.263498 0.206E-02 0.004354 0.275E-04 23855.4067
|
||
|
280 -263.598701 0.229E-03 0.263439 0.206E-02 0.004353 0.274E-04 23894.9813
|
||
|
284 -263.598652 0.227E-03 0.263010 0.204E-02 0.004347 0.272E-04 23970.6519
|
||
|
286 -263.598637 0.226E-03 0.262893 0.203E-02 0.004345 0.271E-04 23993.6399
|
||
|
287 -263.598627 0.225E-03 0.262777 0.202E-02 0.004344 0.270E-04 24030.5384
|
||
|
289 -263.598648 0.224E-03 0.262910 0.201E-02 0.004348 0.269E-04 24071.3709
|
||
|
290 -263.598655 0.224E-03 0.262957 0.200E-02 0.004349 0.269E-04 24112.8336
|
||
|
292 -263.598648 0.222E-03 0.262885 0.199E-02 0.004348 0.267E-04 24144.3975
|
||
|
293 -263.598660 0.222E-03 0.263012 0.199E-02 0.004349 0.266E-04 24190.4000
|
||
|
294 -263.598676 0.222E-03 0.263115 0.199E-02 0.004351 0.266E-04 24249.0073
|
||
|
297 -263.598650 0.221E-03 0.262889 0.198E-02 0.004348 0.265E-04 24326.4456
|
||
|
298 -263.598632 0.221E-03 0.262716 0.198E-02 0.004346 0.265E-04 24346.1240
|
||
|
299 -263.598626 0.220E-03 0.262662 0.197E-02 0.004346 0.264E-04 24382.0219
|
||
|
302 -263.598613 0.219E-03 0.262619 0.196E-02 0.004343 0.262E-04 24427.7570
|
||
|
303 -263.598618 0.218E-03 0.262695 0.196E-02 0.004344 0.261E-04 24460.0258
|
||
|
304 -263.598611 0.217E-03 0.262617 0.195E-02 0.004343 0.261E-04 24463.3532
|
||
|
305 -263.598631 0.217E-03 0.262760 0.195E-02 0.004346 0.261E-04 24487.6642
|
||
|
306 -263.598618 0.218E-03 0.262631 0.195E-02 0.004345 0.261E-04 24521.7569
|
||
|
307 -263.598620 0.217E-03 0.262625 0.195E-02 0.004345 0.260E-04 24558.2123
|
||
|
308 -263.598610 0.216E-03 0.262536 0.194E-02 0.004344 0.260E-04 24605.6567
|
||
|
310 -263.598607 0.215E-03 0.262474 0.193E-02 0.004344 0.258E-04 24639.6697
|
||
|
311 -263.598603 0.214E-03 0.262452 0.192E-02 0.004344 0.258E-04 24690.1609
|
||
|
312 -263.598605 0.214E-03 0.262444 0.192E-02 0.004344 0.257E-04 24715.5461
|
||
|
313 -263.598610 0.213E-03 0.262477 0.191E-02 0.004345 0.256E-04 24738.1299
|
||
|
316 -263.598608 0.212E-03 0.262491 0.191E-02 0.004344 0.254E-04 24783.6202
|
||
|
317 -263.598608 0.211E-03 0.262492 0.190E-02 0.004344 0.253E-04 24834.7296
|
||
|
318 -263.598598 0.211E-03 0.262394 0.190E-02 0.004343 0.253E-04 24844.0737
|
||
|
319 -263.598582 0.211E-03 0.262243 0.190E-02 0.004341 0.253E-04 24866.4205
|
||
|
320 -263.598569 0.211E-03 0.262095 0.190E-02 0.004340 0.252E-04 24888.7941
|
||
|
322 -263.598547 0.210E-03 0.261938 0.189E-02 0.004337 0.252E-04 24915.2413
|
||
|
323 -263.598562 0.210E-03 0.262061 0.189E-02 0.004339 0.252E-04 24962.4659
|
||
|
325 -263.598569 0.210E-03 0.262167 0.189E-02 0.004339 0.251E-04 24989.4928
|
||
|
326 -263.598573 0.210E-03 0.262217 0.189E-02 0.004339 0.251E-04 25011.8537
|
||
|
328 -263.598581 0.208E-03 0.262317 0.188E-02 0.004340 0.249E-04 25053.2421
|
||
|
329 -263.598560 0.209E-03 0.262120 0.188E-02 0.004337 0.250E-04 25091.4554
|
||
|
331 -263.598540 0.208E-03 0.261967 0.187E-02 0.004335 0.249E-04 25178.5455
|
||
|
334 -263.598563 0.207E-03 0.262212 0.187E-02 0.004337 0.248E-04 25187.5863
|
||
|
335 -263.598579 0.207E-03 0.262361 0.187E-02 0.004338 0.247E-04 25195.7887
|
||
|
336 -263.598586 0.207E-03 0.262427 0.186E-02 0.004339 0.247E-04 25218.5867
|
||
|
338 -263.598581 0.205E-03 0.262367 0.185E-02 0.004339 0.245E-04 25224.5144
|
||
|
339 -263.598588 0.205E-03 0.262402 0.185E-02 0.004340 0.245E-04 25241.6202
|
||
|
342 -263.598610 0.204E-03 0.262659 0.184E-02 0.004342 0.244E-04 25266.0253
|
||
|
343 -263.598614 0.204E-03 0.262685 0.184E-02 0.004342 0.243E-04 25338.2697
|
||
|
345 -263.598605 0.202E-03 0.262574 0.183E-02 0.004341 0.241E-04 25355.6716
|
||
|
346 -263.598613 0.202E-03 0.262625 0.182E-02 0.004343 0.241E-04 25400.5858
|
||
|
347 -263.598604 0.202E-03 0.262536 0.182E-02 0.004342 0.241E-04 25419.1281
|
||
|
348 -263.598614 0.201E-03 0.262624 0.181E-02 0.004343 0.240E-04 25444.3537
|
||
|
350 -263.598625 0.201E-03 0.262717 0.181E-02 0.004344 0.239E-04 25498.5072
|
||
|
351 -263.598622 0.200E-03 0.262690 0.180E-02 0.004344 0.239E-04 25513.6679
|
||
|
352 -263.598602 0.201E-03 0.262486 0.181E-02 0.004342 0.239E-04 25545.1205
|
||
|
355 -263.598589 0.199E-03 0.262398 0.180E-02 0.004340 0.237E-04 25570.2818
|
||
|
356 -263.598593 0.199E-03 0.262445 0.179E-02 0.004341 0.237E-04 25578.1372
|
||
|
357 -263.598601 0.198E-03 0.262514 0.179E-02 0.004341 0.236E-04 25631.6432
|
||
|
360 -263.598582 0.198E-03 0.262344 0.179E-02 0.004339 0.235E-04 25687.8579
|
||
|
361 -263.598577 0.197E-03 0.262288 0.178E-02 0.004339 0.235E-04 25721.6269
|
||
|
362 -263.598584 0.197E-03 0.262357 0.178E-02 0.004340 0.234E-04 25754.1496
|
||
|
363 -263.598584 0.196E-03 0.262365 0.178E-02 0.004340 0.234E-04 25769.9122
|
||
|
364 -263.598589 0.196E-03 0.262414 0.177E-02 0.004340 0.233E-04 25807.3846
|
||
|
367 -263.598597 0.195E-03 0.262516 0.176E-02 0.004341 0.231E-04 25852.1507
|
||
|
368 -263.598604 0.194E-03 0.262570 0.176E-02 0.004341 0.231E-04 25860.4225
|
||
|
369 -263.598606 0.194E-03 0.262595 0.175E-02 0.004342 0.230E-04 25890.7443
|
||
|
370 -263.598613 0.193E-03 0.262651 0.175E-02 0.004343 0.230E-04 25895.7809
|
||
|
371 -263.598630 0.194E-03 0.262816 0.175E-02 0.004345 0.230E-04 25931.7180
|
||
|
372 -263.598616 0.194E-03 0.262683 0.175E-02 0.004343 0.230E-04 25945.4035
|
||
|
373 -263.598623 0.193E-03 0.262742 0.175E-02 0.004344 0.229E-04 25982.4667
|
||
|
375 -263.598601 0.193E-03 0.262570 0.175E-02 0.004341 0.229E-04 26036.2758
|
||
|
377 -263.598584 0.193E-03 0.262437 0.174E-02 0.004339 0.229E-04 26054.4037
|
||
|
378 -263.598575 0.192E-03 0.262365 0.174E-02 0.004337 0.229E-04 26071.4773
|
||
|
379 -263.598587 0.192E-03 0.262459 0.174E-02 0.004339 0.229E-04 26122.6356
|
||
|
380 -263.598586 0.192E-03 0.262473 0.173E-02 0.004339 0.228E-04 26156.6125
|
||
|
382 -263.598588 0.191E-03 0.262481 0.173E-02 0.004339 0.227E-04 26207.0651
|
||
|
383 -263.598579 0.191E-03 0.262387 0.172E-02 0.004338 0.226E-04 26211.0498
|
||
|
384 -263.598594 0.191E-03 0.262539 0.173E-02 0.004340 0.227E-04 26242.4688
|
||
|
385 -263.598597 0.191E-03 0.262559 0.172E-02 0.004340 0.226E-04 26267.8498
|
||
|
386 -263.598589 0.190E-03 0.262466 0.172E-02 0.004339 0.226E-04 26300.7031
|
||
|
387 -263.598593 0.190E-03 0.262519 0.172E-02 0.004340 0.225E-04 26332.3917
|
||
|
389 -263.598581 0.189E-03 0.262426 0.171E-02 0.004338 0.224E-04 26389.4071
|
||
|
390 -263.598583 0.189E-03 0.262443 0.171E-02 0.004338 0.224E-04 26401.7753
|
||
|
392 -263.598591 0.188E-03 0.262491 0.170E-02 0.004340 0.223E-04 26416.0451
|
||
|
393 -263.598575 0.188E-03 0.262349 0.170E-02 0.004338 0.223E-04 26442.9889
|
||
|
394 -263.598576 0.188E-03 0.262361 0.170E-02 0.004338 0.222E-04 26475.7326
|
||
|
395 -263.598575 0.187E-03 0.262339 0.169E-02 0.004338 0.222E-04 26506.4317
|
||
|
398 -263.598573 0.186E-03 0.262305 0.168E-02 0.004338 0.220E-04 26565.3264
|
||
|
399 -263.598572 0.185E-03 0.262328 0.168E-02 0.004337 0.220E-04 26576.9933
|
||
|
400 -263.598570 0.185E-03 0.262322 0.167E-02 0.004337 0.219E-04 26583.7332
|
||
|
401 -263.598575 0.184E-03 0.262372 0.167E-02 0.004338 0.219E-04 26590.2832
|
||
|
402 -263.598594 0.185E-03 0.262514 0.167E-02 0.004340 0.220E-04 26619.1447
|
||
|
403 -263.598574 0.185E-03 0.262331 0.168E-02 0.004338 0.220E-04 26654.6792
|
||
|
404 -263.598556 0.186E-03 0.262182 0.168E-02 0.004335 0.221E-04 26682.9246
|
||
|
406 -263.598555 0.185E-03 0.262176 0.167E-02 0.004335 0.220E-04 26754.6876
|
||
|
407 -263.598551 0.185E-03 0.262119 0.167E-02 0.004335 0.219E-04 26766.8739
|
||
|
410 -263.598562 0.183E-03 0.262224 0.166E-02 0.004336 0.218E-04 26813.4333
|
||
|
411 -263.598547 0.184E-03 0.262073 0.166E-02 0.004335 0.218E-04 26828.3336
|
||
|
413 -263.598538 0.183E-03 0.262007 0.166E-02 0.004334 0.218E-04 26859.3894
|
||
|
417 -263.598542 0.182E-03 0.262043 0.165E-02 0.004334 0.217E-04 26916.2177
|
||
|
418 -263.598547 0.182E-03 0.262079 0.164E-02 0.004335 0.216E-04 26943.1078
|
||
|
420 -263.598538 0.182E-03 0.261992 0.164E-02 0.004334 0.216E-04 26987.6877
|
||
|
421 -263.598536 0.182E-03 0.261993 0.164E-02 0.004333 0.216E-04 27006.1577
|
||
|
423 -263.598558 0.182E-03 0.262205 0.164E-02 0.004335 0.216E-04 27033.8022
|
||
|
425 -263.598556 0.181E-03 0.262195 0.164E-02 0.004335 0.215E-04 27094.9055
|
||
|
426 -263.598553 0.181E-03 0.262161 0.163E-02 0.004335 0.214E-04 27107.2457
|
||
|
427 -263.598557 0.180E-03 0.262192 0.163E-02 0.004335 0.214E-04 27118.2909
|
||
|
430 -263.598539 0.179E-03 0.262018 0.162E-02 0.004333 0.213E-04 27181.2058
|
||
|
432 -263.598535 0.179E-03 0.261956 0.162E-02 0.004333 0.212E-04 27205.4135
|
||
|
435 -263.598539 0.178E-03 0.261996 0.161E-02 0.004334 0.211E-04 27258.0993
|
||
|
436 -263.598544 0.177E-03 0.262030 0.160E-02 0.004335 0.211E-04 27283.5442
|
||
|
438 -263.598567 0.177E-03 0.262226 0.160E-02 0.004337 0.211E-04 27292.7089
|
||
|
440 -263.598548 0.177E-03 0.262076 0.160E-02 0.004335 0.211E-04 27345.1227
|
||
|
441 -263.598533 0.178E-03 0.261950 0.160E-02 0.004333 0.211E-04 27354.4444
|
||
|
442 -263.598546 0.178E-03 0.262047 0.160E-02 0.004335 0.211E-04 27376.4576
|
||
|
445 -263.598551 0.177E-03 0.262089 0.159E-02 0.004335 0.210E-04 27430.2642
|
||
|
446 -263.598563 0.177E-03 0.262195 0.159E-02 0.004337 0.210E-04 27465.8051
|
||
|
452 -263.598584 0.176E-03 0.262418 0.159E-02 0.004339 0.208E-04 27520.9913
|
||
|
453 -263.598588 0.175E-03 0.262434 0.158E-02 0.004340 0.208E-04 27532.5050
|
||
|
454 -263.598585 0.175E-03 0.262393 0.158E-02 0.004339 0.208E-04 27550.6679
|
||
|
455 -263.598609 0.176E-03 0.262613 0.159E-02 0.004342 0.209E-04 27622.2998
|
||
|
458 -263.598622 0.175E-03 0.262759 0.158E-02 0.004343 0.208E-04 27631.6158
|
||
|
459 -263.598622 0.175E-03 0.262764 0.158E-02 0.004343 0.207E-04 27642.2016
|
||
|
462 -263.598632 0.174E-03 0.262809 0.157E-02 0.004345 0.207E-04 27688.5865
|
||
|
463 -263.598623 0.174E-03 0.262727 0.157E-02 0.004344 0.206E-04 27696.6901
|
||
|
464 -263.598632 0.174E-03 0.262806 0.157E-02 0.004345 0.206E-04 27711.7942
|
||
|
467 -263.598656 0.173E-03 0.263018 0.157E-02 0.004348 0.206E-04 27727.3999
|
||
|
473 -263.598662 0.173E-03 0.263000 0.156E-02 0.004349 0.205E-04 27816.3801
|
||
|
474 -263.598665 0.172E-03 0.263015 0.156E-02 0.004350 0.205E-04 27863.2908
|
||
|
476 -263.598661 0.172E-03 0.262987 0.155E-02 0.004349 0.205E-04 27871.3987
|
||
|
479 -263.598668 0.171E-03 0.262994 0.155E-02 0.004351 0.204E-04 27906.5513
|
||
|
482 -263.598661 0.170E-03 0.262939 0.153E-02 0.004350 0.202E-04 27971.9011
|
||
|
483 -263.598665 0.169E-03 0.262975 0.153E-02 0.004351 0.201E-04 27994.9659
|
||
|
485 -263.598660 0.169E-03 0.262946 0.152E-02 0.004350 0.201E-04 28038.1005
|
||
|
486 -263.598654 0.169E-03 0.262899 0.152E-02 0.004349 0.200E-04 28049.9890
|
||
|
487 -263.598655 0.168E-03 0.262891 0.152E-02 0.004349 0.200E-04 28065.8739
|
||
|
488 -263.598667 0.168E-03 0.262988 0.152E-02 0.004351 0.200E-04 28080.3158
|
||
|
490 -263.598640 0.169E-03 0.262745 0.152E-02 0.004348 0.201E-04 28147.9547
|
||
|
491 -263.598648 0.169E-03 0.262803 0.152E-02 0.004349 0.201E-04 28166.6807
|
||
|
492 -263.598644 0.168E-03 0.262774 0.152E-02 0.004348 0.201E-04 28170.0644
|
||
|
493 -263.598652 0.168E-03 0.262851 0.152E-02 0.004349 0.200E-04 28227.7987
|
||
|
494 -263.598658 0.168E-03 0.262913 0.152E-02 0.004350 0.200E-04 28244.8646
|
||
|
496 -263.598657 0.168E-03 0.262908 0.151E-02 0.004350 0.199E-04 28252.1240
|
||
|
501 -263.598649 0.167E-03 0.262865 0.151E-02 0.004348 0.199E-04 28340.0432
|
||
|
504 -263.598679 0.167E-03 0.263140 0.151E-02 0.004352 0.199E-04 28366.9938
|
||
|
508 -263.598668 0.166E-03 0.263054 0.150E-02 0.004350 0.197E-04 28384.2793
|
||
|
510 -263.598683 0.166E-03 0.263145 0.150E-02 0.004353 0.197E-04 28403.8642
|
||
|
511 -263.598674 0.166E-03 0.263050 0.150E-02 0.004352 0.197E-04 28423.3025
|
||
|
512 -263.598670 0.166E-03 0.262995 0.150E-02 0.004352 0.197E-04 28427.2657
|
||
|
518 -263.598662 0.164E-03 0.262903 0.148E-02 0.004351 0.195E-04 28434.0086
|
||
|
519 -263.598665 0.164E-03 0.262958 0.148E-02 0.004351 0.195E-04 28504.1757
|
||
|
520 -263.598668 0.164E-03 0.262997 0.148E-02 0.004351 0.194E-04 28516.2786
|
||
|
522 -263.598653 0.164E-03 0.262854 0.148E-02 0.004349 0.194E-04 28538.1846
|
||
|
525 -263.598640 0.164E-03 0.262751 0.148E-02 0.004348 0.195E-04 28554.7581
|
||
|
526 -263.598632 0.164E-03 0.262681 0.148E-02 0.004347 0.195E-04 28578.4374
|
||
|
527 -263.598641 0.164E-03 0.262747 0.148E-02 0.004348 0.195E-04 28587.3094
|
||
|
528 -263.598635 0.164E-03 0.262703 0.148E-02 0.004347 0.195E-04 28599.6826
|
||
|
531 -263.598626 0.163E-03 0.262620 0.148E-02 0.004346 0.194E-04 28624.3298
|
||
|
532 -263.598624 0.163E-03 0.262601 0.147E-02 0.004346 0.194E-04 28667.3483
|
||
|
533 -263.598640 0.164E-03 0.262768 0.148E-02 0.004348 0.194E-04 28676.1407
|
||
|
534 -263.598659 0.164E-03 0.262922 0.149E-02 0.004350 0.195E-04 28713.9965
|
||
|
536 -263.598652 0.164E-03 0.262848 0.148E-02 0.004349 0.194E-04 28726.8613
|
||
|
539 -263.598663 0.163E-03 0.262964 0.148E-02 0.004350 0.194E-04 28763.7695
|
||
|
540 -263.598668 0.163E-03 0.263000 0.147E-02 0.004351 0.193E-04 28771.8456
|
||
|
544 -263.598667 0.162E-03 0.263024 0.147E-02 0.004351 0.192E-04 28844.5407
|
||
|
545 -263.598662 0.162E-03 0.262989 0.146E-02 0.004350 0.192E-04 28867.8491
|
||
|
547 -263.598659 0.161E-03 0.262971 0.146E-02 0.004349 0.191E-04 28913.8056
|
||
|
548 -263.598672 0.161E-03 0.263073 0.146E-02 0.004351 0.192E-04 28932.1768
|
||
|
550 -263.598654 0.162E-03 0.262924 0.146E-02 0.004349 0.192E-04 28940.9648
|
||
|
551 -263.598654 0.161E-03 0.262914 0.146E-02 0.004349 0.192E-04 28951.1351
|
||
|
556 -263.598633 0.161E-03 0.262723 0.145E-02 0.004347 0.191E-04 29040.3800
|
||
|
557 -263.598634 0.161E-03 0.262742 0.145E-02 0.004347 0.191E-04 29044.4334
|
||
|
558 -263.598628 0.160E-03 0.262684 0.145E-02 0.004346 0.190E-04 29071.5229
|
||
|
559 -263.598624 0.160E-03 0.262641 0.145E-02 0.004346 0.190E-04 29105.5251
|
||
|
560 -263.598623 0.160E-03 0.262631 0.144E-02 0.004346 0.190E-04 29117.7588
|
||
|
561 -263.598620 0.160E-03 0.262603 0.144E-02 0.004345 0.190E-04 29127.6459
|
||
|
563 -263.598628 0.159E-03 0.262665 0.144E-02 0.004346 0.189E-04 29139.5225
|
||
|
565 -263.598635 0.159E-03 0.262695 0.144E-02 0.004347 0.189E-04 29214.1953
|
||
|
566 -263.598620 0.160E-03 0.262596 0.144E-02 0.004345 0.190E-04 29220.0157
|
||
|
567 -263.598622 0.159E-03 0.262620 0.144E-02 0.004345 0.190E-04 29245.0789
|
||
|
568 -263.598623 0.159E-03 0.262607 0.143E-02 0.004346 0.189E-04 29279.5476
|
||
|
569 -263.598619 0.159E-03 0.262577 0.143E-02 0.004345 0.189E-04 29291.3892
|
||
|
570 -263.598618 0.159E-03 0.262577 0.143E-02 0.004345 0.189E-04 29302.5637
|
||
|
573 -263.598620 0.158E-03 0.262567 0.142E-02 0.004345 0.188E-04 29374.4605
|
||
|
576 -263.598640 0.158E-03 0.262719 0.142E-02 0.004348 0.188E-04 29395.8867
|
||
|
577 -263.598643 0.158E-03 0.262741 0.142E-02 0.004348 0.188E-04 29430.5941
|
||
|
580 -263.598640 0.158E-03 0.262690 0.142E-02 0.004348 0.188E-04 29454.6573
|
||
|
582 -263.598627 0.157E-03 0.262583 0.142E-02 0.004347 0.188E-04 29465.0037
|
||
|
583 -263.598627 0.157E-03 0.262591 0.141E-02 0.004347 0.187E-04 29480.8781
|
||
|
586 -263.598643 0.157E-03 0.262736 0.141E-02 0.004348 0.187E-04 29550.3266
|
||
|
587 -263.598658 0.157E-03 0.262864 0.141E-02 0.004350 0.188E-04 29571.7221
|
||
|
590 -263.598657 0.157E-03 0.262855 0.141E-02 0.004350 0.187E-04 29595.0353
|
||
|
591 -263.598658 0.156E-03 0.262861 0.141E-02 0.004351 0.187E-04 29615.9121
|
||
|
593 -263.598669 0.156E-03 0.262959 0.140E-02 0.004352 0.186E-04 29640.4799
|
||
|
594 -263.598669 0.156E-03 0.262962 0.140E-02 0.004352 0.186E-04 29658.8014
|
||
|
599 -263.598676 0.155E-03 0.263023 0.139E-02 0.004353 0.185E-04 29661.5727
|
||
|
600 -263.598673 0.155E-03 0.262984 0.139E-02 0.004353 0.184E-04 29726.0094
|
||
|
601 -263.598673 0.154E-03 0.262997 0.139E-02 0.004352 0.184E-04 29748.2752
|
||
|
602 -263.598675 0.154E-03 0.263019 0.139E-02 0.004352 0.184E-04 29771.8107
|
||
|
605 -263.598666 0.154E-03 0.262933 0.139E-02 0.004352 0.184E-04 29787.0361
|
||
|
606 -263.598673 0.154E-03 0.262978 0.138E-02 0.004352 0.184E-04 29815.3587
|
||
|
608 -263.598670 0.153E-03 0.262948 0.138E-02 0.004352 0.183E-04 29836.2142
|
||
|
611 -263.598679 0.153E-03 0.263052 0.138E-02 0.004353 0.183E-04 29901.2269
|
||
|
612 -263.598678 0.153E-03 0.263049 0.137E-02 0.004353 0.182E-04 29922.7610
|
||
|
615 -263.598677 0.152E-03 0.263052 0.137E-02 0.004352 0.182E-04 29947.5582
|
||
|
616 -263.598675 0.152E-03 0.263031 0.137E-02 0.004352 0.182E-04 29961.6828
|
||
|
618 -263.598682 0.152E-03 0.263083 0.136E-02 0.004353 0.181E-04 29989.0497
|
||
|
619 -263.598692 0.152E-03 0.263170 0.136E-02 0.004354 0.181E-04 30011.1963
|
||
|
624 -263.598669 0.151E-03 0.262992 0.136E-02 0.004351 0.181E-04 30065.5683
|
||
|
625 -263.598673 0.151E-03 0.263048 0.136E-02 0.004351 0.180E-04 30100.8031
|
||
|
627 -263.598671 0.151E-03 0.263029 0.135E-02 0.004351 0.180E-04 30139.9880
|
||
|
630 -263.598676 0.150E-03 0.263084 0.135E-02 0.004352 0.179E-04 30155.8394
|
||
|
631 -263.598684 0.150E-03 0.263152 0.135E-02 0.004352 0.179E-04 30159.1808
|
||
|
632 -263.598680 0.150E-03 0.263106 0.135E-02 0.004352 0.179E-04 30170.8851
|
||
|
633 -263.598686 0.150E-03 0.263140 0.135E-02 0.004353 0.179E-04 30186.3051
|
||
|
638 -263.598673 0.149E-03 0.263020 0.135E-02 0.004352 0.178E-04 30238.3208
|
||
|
639 -263.598677 0.149E-03 0.263054 0.135E-02 0.004352 0.178E-04 30264.9336
|
||
|
640 -263.598673 0.149E-03 0.263014 0.134E-02 0.004352 0.178E-04 30275.8725
|
||
|
642 -263.598694 0.150E-03 0.263205 0.135E-02 0.004354 0.178E-04 30294.9008
|
||
|
644 -263.598692 0.149E-03 0.263189 0.134E-02 0.004354 0.178E-04 30321.4826
|
||
|
645 -263.598686 0.149E-03 0.263142 0.134E-02 0.004353 0.178E-04 30334.6799
|
||
|
646 -263.598703 0.150E-03 0.263279 0.135E-02 0.004355 0.179E-04 30345.1794
|
||
|
648 -263.598697 0.149E-03 0.263218 0.134E-02 0.004355 0.178E-04 30364.7883
|
||
|
655 -263.598672 0.148E-03 0.262999 0.133E-02 0.004352 0.177E-04 30411.4910
|
||
|
656 -263.598673 0.148E-03 0.262991 0.133E-02 0.004352 0.177E-04 30425.9123
|
||
|
657 -263.598673 0.148E-03 0.262990 0.133E-02 0.004352 0.177E-04 30452.7539
|
||
|
658 -263.598670 0.148E-03 0.262970 0.133E-02 0.004352 0.176E-04 30482.6341
|
||
|
661 -263.598672 0.147E-03 0.262975 0.133E-02 0.004352 0.176E-04 30505.9999
|
||
|
662 -263.598675 0.147E-03 0.263002 0.132E-02 0.004352 0.176E-04 30509.0921
|
||
|
663 -263.598676 0.147E-03 0.263011 0.132E-02 0.004353 0.176E-04 30517.3391
|
||
|
664 -263.598680 0.147E-03 0.263052 0.132E-02 0.004353 0.175E-04 30540.8250
|
||
|
669 -263.598684 0.146E-03 0.263109 0.132E-02 0.004353 0.175E-04 30599.8604
|
||
|
671 -263.598668 0.146E-03 0.262969 0.132E-02 0.004351 0.175E-04 30633.7266
|
||
|
676 -263.598693 0.146E-03 0.263195 0.131E-02 0.004354 0.175E-04 30658.1594
|
||
|
678 -263.598703 0.146E-03 0.263289 0.131E-02 0.004356 0.174E-04 30668.3357
|
||
|
679 -263.598712 0.146E-03 0.263370 0.131E-02 0.004357 0.174E-04 30693.2787
|
||
|
681 -263.598724 0.146E-03 0.263474 0.131E-02 0.004358 0.174E-04 30718.2774
|
||
|
683 -263.598719 0.146E-03 0.263406 0.131E-02 0.004358 0.175E-04 30753.2110
|
||
|
684 -263.598730 0.146E-03 0.263510 0.132E-02 0.004359 0.175E-04 30773.4520
|
||
|
685 -263.598723 0.146E-03 0.263444 0.132E-02 0.004358 0.174E-04 30818.7410
|
||
|
688 -263.598719 0.146E-03 0.263408 0.131E-02 0.004358 0.174E-04 30831.1340
|
||
|
690 -263.598709 0.146E-03 0.263329 0.131E-02 0.004356 0.174E-04 30844.0172
|
||
|
691 -263.598704 0.145E-03 0.263292 0.131E-02 0.004356 0.174E-04 30868.8246
|
||
|
696 -263.598705 0.145E-03 0.263314 0.130E-02 0.004356 0.173E-04 30891.0551
|
||
|
701 -263.598686 0.144E-03 0.263167 0.130E-02 0.004353 0.172E-04 30925.4957
|
||
|
702 -263.598676 0.144E-03 0.263075 0.130E-02 0.004352 0.172E-04 30940.9924
|
||
|
704 -263.598680 0.144E-03 0.263144 0.130E-02 0.004352 0.171E-04 30945.9821
|
||
|
707 -263.598679 0.143E-03 0.263141 0.129E-02 0.004352 0.171E-04 30980.1014
|
||
|
709 -263.598685 0.143E-03 0.263185 0.129E-02 0.004353 0.171E-04 30996.3458
|
||
|
710 -263.598680 0.143E-03 0.263150 0.129E-02 0.004352 0.171E-04 31025.4074
|
||
|
713 -263.598667 0.143E-03 0.263032 0.128E-02 0.004351 0.170E-04 31040.6810
|
||
|
714 -263.598658 0.143E-03 0.262949 0.129E-02 0.004349 0.170E-04 31068.6915
|
||
|
718 -263.598688 0.143E-03 0.263237 0.129E-02 0.004353 0.171E-04 31113.1142
|
||
|
719 -263.598692 0.143E-03 0.263305 0.129E-02 0.004353 0.170E-04 31118.9989
|
||
|
720 -263.598687 0.143E-03 0.263260 0.129E-02 0.004352 0.170E-04 31160.0339
|
||
|
722 -263.598692 0.143E-03 0.263294 0.129E-02 0.004353 0.170E-04 31171.9879
|
||
|
724 -263.598691 0.142E-03 0.263285 0.128E-02 0.004353 0.170E-04 31183.5231
|
||
|
726 -263.598695 0.143E-03 0.263321 0.129E-02 0.004353 0.170E-04 31197.8054
|
||
|
729 -263.598699 0.142E-03 0.263356 0.128E-02 0.004354 0.170E-04 31211.2643
|
||
|
730 -263.598701 0.142E-03 0.263357 0.128E-02 0.004354 0.170E-04 31215.0907
|
||
|
734 -263.598699 0.142E-03 0.263344 0.128E-02 0.004354 0.169E-04 31246.5653
|
||
|
737 -263.598688 0.142E-03 0.263266 0.127E-02 0.004353 0.169E-04 31271.6141
|
||
|
739 -263.598684 0.142E-03 0.263224 0.127E-02 0.004352 0.169E-04 31291.3242
|
||
|
742 -263.598681 0.141E-03 0.263223 0.127E-02 0.004351 0.168E-04 31335.2384
|
||
|
743 -263.598689 0.141E-03 0.263305 0.127E-02 0.004352 0.168E-04 31348.2177
|
||
|
744 -263.598680 0.141E-03 0.263223 0.127E-02 0.004351 0.168E-04 31357.8932
|
||
|
745 -263.598674 0.141E-03 0.263178 0.127E-02 0.004350 0.168E-04 31371.6389
|
||
|
746 -263.598677 0.141E-03 0.263214 0.127E-02 0.004351 0.168E-04 31389.3267
|
||
|
747 -263.598677 0.141E-03 0.263213 0.127E-02 0.004351 0.168E-04 31421.6472
|
||
|
749 -263.598685 0.140E-03 0.263278 0.127E-02 0.004352 0.168E-04 31446.3907
|
||
|
752 -263.598680 0.140E-03 0.263214 0.126E-02 0.004351 0.167E-04 31464.6125
|
||
|
753 -263.598674 0.140E-03 0.263165 0.126E-02 0.004351 0.167E-04 31469.8932
|
||
|
760 -263.598680 0.139E-03 0.263189 0.125E-02 0.004352 0.166E-04 31510.4717
|
||
|
761 -263.598677 0.139E-03 0.263151 0.125E-02 0.004352 0.166E-04 31535.6003
|
||
|
764 -263.598680 0.138E-03 0.263154 0.125E-02 0.004352 0.165E-04 31560.9939
|
||
|
765 -263.598682 0.138E-03 0.263174 0.125E-02 0.004352 0.165E-04 31567.4927
|
||
|
769 -263.598684 0.138E-03 0.263197 0.125E-02 0.004353 0.165E-04 31604.1978
|
||
|
770 -263.598685 0.138E-03 0.263192 0.125E-02 0.004353 0.165E-04 31617.5056
|
||
|
772 -263.598680 0.138E-03 0.263150 0.125E-02 0.004352 0.164E-04 31641.6439
|
||
|
775 -263.598664 0.138E-03 0.263009 0.125E-02 0.004350 0.164E-04 31684.1521
|
||
|
777 -263.598672 0.138E-03 0.263088 0.125E-02 0.004351 0.164E-04 31693.3683
|
||
|
780 -263.598693 0.138E-03 0.263266 0.125E-02 0.004354 0.164E-04 31711.3098
|
||
|
782 -263.598693 0.138E-03 0.263259 0.125E-02 0.004354 0.164E-04 31717.1796
|
||
|
785 -263.598693 0.137E-03 0.263258 0.124E-02 0.004354 0.163E-04 31736.1955
|
||
|
786 -263.598690 0.137E-03 0.263237 0.124E-02 0.004353 0.163E-04 31741.0615
|
||
|
790 -263.598696 0.137E-03 0.263264 0.123E-02 0.004355 0.163E-04 31778.8286
|
||
|
792 -263.598695 0.136E-03 0.263271 0.123E-02 0.004354 0.163E-04 31793.4987
|
||
|
794 -263.598691 0.136E-03 0.263242 0.123E-02 0.004354 0.162E-04 31818.2537
|
||
|
797 -263.598691 0.136E-03 0.263266 0.122E-02 0.004353 0.162E-04 31861.3938
|
||
|
799 -263.598706 0.136E-03 0.263403 0.123E-02 0.004355 0.162E-04 31882.8623
|
||
|
800 -263.598701 0.136E-03 0.263354 0.123E-02 0.004355 0.162E-04 31891.5180
|
||
|
801 -263.598706 0.136E-03 0.263374 0.122E-02 0.004355 0.162E-04 31910.7734
|
||
|
805 -263.598706 0.135E-03 0.263381 0.122E-02 0.004355 0.161E-04 31969.0992
|
||
|
808 -263.598721 0.136E-03 0.263529 0.122E-02 0.004357 0.162E-04 31991.8041
|
||
|
817 -263.598727 0.135E-03 0.263572 0.122E-02 0.004358 0.160E-04 32047.5707
|
||
|
818 -263.598720 0.135E-03 0.263511 0.122E-02 0.004357 0.160E-04 32064.4992
|
||
|
819 -263.598727 0.135E-03 0.263571 0.122E-02 0.004358 0.160E-04 32069.0958
|
||
|
821 -263.598735 0.135E-03 0.263642 0.121E-02 0.004359 0.160E-04 32087.5787
|
||
|
828 -263.598750 0.134E-03 0.263781 0.121E-02 0.004360 0.159E-04 32132.0323
|
||
|
829 -263.598752 0.134E-03 0.263790 0.121E-02 0.004361 0.159E-04 32140.2704
|
||
|
832 -263.598764 0.134E-03 0.263908 0.121E-02 0.004362 0.159E-04 32166.4718
|
||
|
835 -263.598766 0.133E-03 0.263914 0.120E-02 0.004362 0.158E-04 32251.2494
|
||
|
843 -263.598750 0.133E-03 0.263790 0.120E-02 0.004360 0.158E-04 32260.0169
|
||
|
849 -263.598731 0.132E-03 0.263611 0.120E-02 0.004358 0.157E-04 32312.9606
|
||
|
851 -263.598723 0.132E-03 0.263537 0.120E-02 0.004357 0.157E-04 32333.6157
|
||
|
852 -263.598733 0.132E-03 0.263637 0.120E-02 0.004358 0.157E-04 32340.1239
|
||
|
858 -263.598733 0.132E-03 0.263650 0.120E-02 0.004358 0.157E-04 32383.7722
|
||
|
861 -263.598743 0.132E-03 0.263748 0.120E-02 0.004359 0.156E-04 32398.9113
|
||
|
862 -263.598746 0.132E-03 0.263770 0.119E-02 0.004360 0.156E-04 32416.5439
|
||
|
864 -263.598752 0.132E-03 0.263800 0.119E-02 0.004361 0.156E-04 32424.2760
|
||
|
866 -263.598751 0.131E-03 0.263782 0.119E-02 0.004361 0.156E-04 32433.2954
|
||
|
870 -263.598738 0.131E-03 0.263657 0.119E-02 0.004359 0.155E-04 32479.4170
|
||
|
872 -263.598730 0.131E-03 0.263584 0.119E-02 0.004359 0.155E-04 32483.5728
|
||
|
874 -263.598721 0.131E-03 0.263496 0.119E-02 0.004357 0.156E-04 32506.5652
|
||
|
876 -263.598732 0.131E-03 0.263604 0.119E-02 0.004359 0.156E-04 32512.0919
|
||
|
881 -263.598720 0.131E-03 0.263519 0.119E-02 0.004357 0.155E-04 32562.2387
|
||
|
883 -263.598715 0.131E-03 0.263486 0.118E-02 0.004356 0.155E-04 32573.5474
|
||
|
884 -263.598711 0.131E-03 0.263461 0.118E-02 0.004356 0.155E-04 32589.5070
|
||
|
885 -263.598712 0.131E-03 0.263474 0.118E-02 0.004356 0.155E-04 32612.1524
|
||
|
889 -263.598704 0.130E-03 0.263406 0.118E-02 0.004355 0.154E-04 32662.3142
|
||
|
891 -263.598709 0.130E-03 0.263440 0.118E-02 0.004355 0.154E-04 32681.0178
|
||
|
892 -263.598707 0.130E-03 0.263415 0.118E-02 0.004355 0.154E-04 32685.8613
|
||
|
896 -263.598701 0.130E-03 0.263385 0.118E-02 0.004354 0.154E-04 32768.5727
|
||
|
899 -263.598700 0.130E-03 0.263392 0.117E-02 0.004354 0.154E-04 32770.1575
|
||
|
901 -263.598692 0.130E-03 0.263336 0.117E-02 0.004353 0.154E-04 32784.6617
|
||
|
906 -263.598685 0.129E-03 0.263258 0.117E-02 0.004352 0.153E-04 32833.5381
|
||
|
909 -263.598704 0.129E-03 0.263450 0.117E-02 0.004354 0.153E-04 32853.1472
|
||
|
910 -263.598710 0.129E-03 0.263510 0.117E-02 0.004355 0.153E-04 32858.3664
|
||
|
918 -263.598720 0.128E-03 0.263587 0.116E-02 0.004356 0.152E-04 32913.6878
|
||
|
920 -263.598722 0.128E-03 0.263601 0.116E-02 0.004357 0.152E-04 32927.5901
|
||
|
921 -263.598723 0.128E-03 0.263603 0.116E-02 0.004357 0.152E-04 32944.5078
|
||
|
923 -263.598736 0.128E-03 0.263733 0.116E-02 0.004358 0.152E-04 32956.3527
|
||
|
929 -263.598740 0.127E-03 0.263767 0.116E-02 0.004359 0.151E-04 33009.8319
|
||
|
931 -263.598751 0.127E-03 0.263867 0.116E-02 0.004360 0.151E-04 33042.5987
|
||
|
937 -263.598748 0.127E-03 0.263847 0.115E-02 0.004359 0.151E-04 33101.4550
|
||
|
939 -263.598747 0.127E-03 0.263844 0.115E-02 0.004359 0.150E-04 33139.0800
|
||
|
947 -263.598758 0.126E-03 0.263925 0.115E-02 0.004361 0.150E-04 33181.4557
|
||
|
948 -263.598756 0.126E-03 0.263896 0.115E-02 0.004361 0.150E-04 33212.7762
|
||
|
951 -263.598749 0.126E-03 0.263828 0.114E-02 0.004360 0.150E-04 33217.1423
|
||
|
956 -263.598755 0.126E-03 0.263873 0.114E-02 0.004361 0.149E-04 33265.2983
|
||
|
958 -263.598753 0.125E-03 0.263875 0.114E-02 0.004360 0.149E-04 33288.7661
|
||
|
961 -263.598753 0.125E-03 0.263867 0.114E-02 0.004360 0.148E-04 33298.4752
|
||
|
962 -263.598760 0.125E-03 0.263920 0.114E-02 0.004361 0.148E-04 33314.6275
|
||
|
966 -263.598755 0.125E-03 0.263915 0.113E-02 0.004360 0.148E-04 33358.8413
|
||
|
970 -263.598749 0.125E-03 0.263852 0.113E-02 0.004360 0.148E-04 33386.4907
|
||
|
971 -263.598748 0.125E-03 0.263850 0.113E-02 0.004359 0.148E-04 33390.0217
|
||
|
979 -263.598746 0.124E-03 0.263802 0.113E-02 0.004360 0.148E-04 33440.6145
|
||
|
981 -263.598740 0.124E-03 0.263740 0.113E-02 0.004359 0.147E-04 33464.0734
|
||
|
982 -263.598740 0.124E-03 0.263745 0.113E-02 0.004359 0.147E-04 33470.4981
|
||
|
983 -263.598736 0.124E-03 0.263704 0.113E-02 0.004359 0.147E-04 33477.0703
|
||
|
984 -263.598737 0.124E-03 0.263716 0.112E-02 0.004359 0.147E-04 33488.5984
|
||
|
987 -263.598743 0.124E-03 0.263779 0.112E-02 0.004359 0.147E-04 33534.4010
|
||
|
991 -263.598740 0.124E-03 0.263748 0.112E-02 0.004359 0.147E-04 33562.1946
|
||
|
998 -263.598736 0.123E-03 0.263708 0.112E-02 0.004359 0.146E-04 33616.6100
|
||
|
1002 -263.598731 0.123E-03 0.263666 0.111E-02 0.004358 0.146E-04 33640.4545
|
||
|
1004 -263.598734 0.122E-03 0.263685 0.111E-02 0.004358 0.145E-04 33644.2513
|
||
|
1005 -263.598736 0.122E-03 0.263695 0.111E-02 0.004359 0.145E-04 33653.7106
|
||
|
1007 -263.598736 0.122E-03 0.263680 0.111E-02 0.004359 0.145E-04 33676.4441
|
||
|
1013 -263.598747 0.122E-03 0.263784 0.110E-02 0.004360 0.145E-04 33699.6425
|
||
|
1015 -263.598743 0.122E-03 0.263752 0.110E-02 0.004360 0.144E-04 33715.3541
|
||
|
1019 -263.598754 0.121E-03 0.263842 0.110E-02 0.004361 0.144E-04 33749.2829
|
||
|
1026 -263.598784 0.121E-03 0.264109 0.110E-02 0.004364 0.144E-04 33789.0577
|
||
|
1028 -263.598789 0.121E-03 0.264147 0.109E-02 0.004365 0.144E-04 33802.6907
|
||
|
1029 -263.598787 0.121E-03 0.264130 0.109E-02 0.004365 0.144E-04 33816.8026
|
||
|
1030 -263.598783 0.121E-03 0.264098 0.109E-02 0.004364 0.144E-04 33824.4178
|
||
|
1034 -263.598788 0.120E-03 0.264129 0.109E-02 0.004365 0.143E-04 33852.9315
|
||
|
1037 -263.598781 0.120E-03 0.264073 0.109E-02 0.004364 0.143E-04 33869.9798
|
||
|
1040 -263.598775 0.120E-03 0.264035 0.109E-02 0.004363 0.143E-04 33892.4991
|
||
|
1043 -263.598775 0.120E-03 0.264007 0.108E-02 0.004364 0.143E-04 33911.4516
|
||
|
1044 -263.598778 0.120E-03 0.264022 0.108E-02 0.004364 0.143E-04 33922.7474
|
||
|
1049 -263.598772 0.120E-03 0.263966 0.108E-02 0.004363 0.142E-04 33977.1007
|
||
|
1054 -263.598773 0.119E-03 0.263970 0.108E-02 0.004364 0.142E-04 33991.8949
|
||
|
1056 -263.598775 0.119E-03 0.264001 0.108E-02 0.004364 0.142E-04 33999.5040
|
||
|
1060 -263.598781 0.119E-03 0.264046 0.108E-02 0.004364 0.141E-04 34024.3291
|
||
|
1063 -263.598797 0.119E-03 0.264169 0.108E-02 0.004367 0.142E-04 34040.1970
|
||
|
1067 -263.598799 0.119E-03 0.264201 0.107E-02 0.004367 0.141E-04 34068.7252
|
||
|
1070 -263.598801 0.119E-03 0.264215 0.107E-02 0.004367 0.141E-04 34096.4850
|
||
|
1076 -263.598808 0.118E-03 0.264291 0.107E-02 0.004367 0.141E-04 34162.9119
|
||
|
1077 -263.598806 0.118E-03 0.264291 0.107E-02 0.004367 0.141E-04 34166.0133
|
||
|
1078 -263.598811 0.118E-03 0.264341 0.107E-02 0.004368 0.141E-04 34174.7915
|
||
|
1080 -263.598809 0.118E-03 0.264324 0.107E-02 0.004368 0.140E-04 34202.9032
|
||
|
1083 -263.598814 0.118E-03 0.264360 0.107E-02 0.004368 0.140E-04 34210.9307
|
||
|
1089 -263.598822 0.118E-03 0.264441 0.106E-02 0.004369 0.140E-04 34244.2227
|
||
|
1090 -263.598827 0.118E-03 0.264490 0.106E-02 0.004369 0.140E-04 34251.9430
|
||
|
1091 -263.598822 0.118E-03 0.264429 0.106E-02 0.004369 0.140E-04 34272.5091
|
||
|
1097 -263.598818 0.117E-03 0.264379 0.106E-02 0.004369 0.139E-04 34329.1333
|
||
|
1099 -263.598826 0.117E-03 0.264450 0.106E-02 0.004370 0.139E-04 34330.2148
|
||
|
1100 -263.598829 0.117E-03 0.264482 0.106E-02 0.004370 0.139E-04 34335.9159
|
||
|
1101 -263.598830 0.117E-03 0.264490 0.106E-02 0.004370 0.139E-04 34339.4631
|
||
|
1103 -263.598826 0.117E-03 0.264447 0.106E-02 0.004370 0.139E-04 34346.2105
|
||
|
1107 -263.598824 0.117E-03 0.264424 0.106E-02 0.004369 0.139E-04 34408.0242
|
||
|
1113 -263.598828 0.116E-03 0.264459 0.105E-02 0.004370 0.138E-04 34417.0807
|
||
|
1116 -263.598823 0.116E-03 0.264412 0.105E-02 0.004369 0.138E-04 34423.9155
|
||
|
1118 -263.598826 0.116E-03 0.264437 0.105E-02 0.004370 0.138E-04 34443.5150
|
||
|
1124 -263.598829 0.116E-03 0.264474 0.105E-02 0.004370 0.138E-04 34500.4263
|
||
|
1125 -263.598830 0.116E-03 0.264485 0.105E-02 0.004370 0.138E-04 34514.9166
|
||
|
1127 -263.598837 0.116E-03 0.264546 0.105E-02 0.004371 0.137E-04 34521.5695
|
||
|
1130 -263.598828 0.116E-03 0.264462 0.105E-02 0.004370 0.137E-04 34553.6724
|
||
|
1138 -263.598838 0.115E-03 0.264543 0.104E-02 0.004371 0.137E-04 34594.9628
|
||
|
1140 -263.598838 0.115E-03 0.264535 0.104E-02 0.004371 0.137E-04 34598.9616
|
||
|
1142 -263.598846 0.115E-03 0.264602 0.104E-02 0.004372 0.136E-04 34625.9721
|
||
|
1149 -263.598838 0.114E-03 0.264521 0.103E-02 0.004371 0.136E-04 34690.9399
|
||
|
1151 -263.598836 0.114E-03 0.264500 0.103E-02 0.004371 0.136E-04 34699.2149
|
||
|
1155 -263.598831 0.114E-03 0.264444 0.103E-02 0.004371 0.135E-04 34731.6143
|
||
|
1161 -263.598831 0.114E-03 0.264466 0.103E-02 0.004370 0.135E-04 34755.7171
|
||
|
1163 -263.598831 0.114E-03 0.264472 0.103E-02 0.004370 0.135E-04 34775.0241
|
||
|
1166 -263.598840 0.113E-03 0.264528 0.103E-02 0.004372 0.135E-04 34801.1068
|
||
|
1172 -263.598852 0.113E-03 0.264646 0.102E-02 0.004373 0.135E-04 34851.5350
|
||
|
1175 -263.598848 0.113E-03 0.264607 0.102E-02 0.004373 0.134E-04 34880.6507
|
||
|
1176 -263.598853 0.113E-03 0.264653 0.102E-02 0.004373 0.134E-04 34886.8177
|
||
|
1182 -263.598846 0.113E-03 0.264602 0.102E-02 0.004372 0.134E-04 34905.5927
|
||
|
1188 -263.598849 0.112E-03 0.264633 0.101E-02 0.004372 0.134E-04 34931.8886
|
||
|
1189 -263.598853 0.112E-03 0.264677 0.101E-02 0.004373 0.134E-04 34950.4534
|
||
|
1190 -263.598854 0.112E-03 0.264683 0.101E-02 0.004373 0.133E-04 34954.7303
|
||
|
1192 -263.598858 0.112E-03 0.264720 0.101E-02 0.004373 0.133E-04 34981.0974
|
||
|
1199 -263.598857 0.112E-03 0.264704 0.101E-02 0.004373 0.133E-04 35025.2033
|
||
|
1200 -263.598852 0.112E-03 0.264668 0.101E-02 0.004373 0.133E-04 35046.6743
|
||
|
1203 -263.598848 0.112E-03 0.264620 0.101E-02 0.004372 0.134E-04 35068.2552
|
||
|
1206 -263.598846 0.112E-03 0.264596 0.101E-02 0.004372 0.134E-04 35081.3097
|
||
|
1209 -263.598844 0.112E-03 0.264576 0.101E-02 0.004372 0.133E-04 35103.6374
|
||
|
1213 -263.598837 0.112E-03 0.264529 0.101E-02 0.004371 0.133E-04 35126.3899
|
||
|
1214 -263.598841 0.112E-03 0.264562 0.101E-02 0.004371 0.133E-04 35132.5897
|
||
|
1217 -263.598841 0.112E-03 0.264565 0.101E-02 0.004371 0.133E-04 35153.2176
|
||
|
1228 -263.598837 0.111E-03 0.264551 0.100E-02 0.004370 0.132E-04 35200.4111
|
||
|
1229 -263.598833 0.111E-03 0.264514 0.100E-02 0.004370 0.132E-04 35238.0748
|
||
|
1234 -263.598834 0.111E-03 0.264505 0.100E-02 0.004371 0.132E-04 35245.3048
|
||
|
1237 -263.598829 0.111E-03 0.264461 0.998E-03 0.004370 0.132E-04 35256.9761
|
||
|
1239 -263.598832 0.111E-03 0.264498 0.998E-03 0.004370 0.132E-04 35276.2198
|
||
|
1243 -263.598821 0.111E-03 0.264405 0.998E-03 0.004369 0.132E-04 35300.1355
|
||
|
1244 -263.598818 0.111E-03 0.264380 0.997E-03 0.004368 0.132E-04 35305.1863
|
||
|
1247 -263.598808 0.110E-03 0.264299 0.996E-03 0.004367 0.132E-04 35327.9598
|
||
|
1254 -263.598812 0.110E-03 0.264340 0.995E-03 0.004367 0.131E-04 35374.3878
|
||
|
1258 -263.598808 0.110E-03 0.264318 0.993E-03 0.004367 0.131E-04 35393.4234
|
||
|
1260 -263.598801 0.110E-03 0.264257 0.992E-03 0.004366 0.131E-04 35406.3056
|
||
|
1261 -263.598798 0.110E-03 0.264234 0.992E-03 0.004365 0.131E-04 35413.7814
|
||
|
1262 -263.598794 0.110E-03 0.264207 0.991E-03 0.004365 0.131E-04 35421.2793
|
||
|
1264 -263.598797 0.110E-03 0.264240 0.990E-03 0.004365 0.131E-04 35430.7988
|
||
|
1267 -263.598802 0.110E-03 0.264297 0.989E-03 0.004366 0.130E-04 35467.1741
|
||
|
1272 -263.598804 0.109E-03 0.264288 0.986E-03 0.004366 0.130E-04 35489.5500
|
||
|
1274 -263.598796 0.109E-03 0.264224 0.985E-03 0.004365 0.130E-04 35500.8360
|
||
|
1280 -263.598799 0.109E-03 0.264247 0.983E-03 0.004366 0.130E-04 35550.4192
|
||
|
1283 -263.598802 0.109E-03 0.264285 0.982E-03 0.004366 0.130E-04 35567.5193
|
||
|
1286 -263.598795 0.109E-03 0.264221 0.982E-03 0.004365 0.130E-04 35579.4936
|
||
|
1287 -263.598792 0.109E-03 0.264190 0.982E-03 0.004365 0.130E-04 35589.0844
|
||
|
1289 -263.598795 0.109E-03 0.264199 0.980E-03 0.004365 0.129E-04 35594.4978
|
||
|
1291 -263.598794 0.109E-03 0.264190 0.979E-03 0.004365 0.129E-04 35620.1617
|
||
|
1297 -263.598795 0.108E-03 0.264215 0.976E-03 0.004365 0.129E-04 35638.9026
|
||
|
1298 -263.598795 0.108E-03 0.264222 0.975E-03 0.004365 0.129E-04 35661.2950
|
||
|
1300 -263.598800 0.108E-03 0.264272 0.975E-03 0.004365 0.129E-04 35663.8275
|
||
|
1302 -263.598802 0.108E-03 0.264297 0.974E-03 0.004366 0.128E-04 35675.9316
|
||
|
1311 -263.598796 0.107E-03 0.264222 0.969E-03 0.004365 0.128E-04 35743.1459
|
||
|
1318 -263.598808 0.106E-03 0.264343 0.961E-03 0.004366 0.127E-04 35752.6460
|
||
|
1319 -263.598809 0.106E-03 0.264340 0.960E-03 0.004367 0.126E-04 35770.5453
|
||
|
1325 -263.598806 0.106E-03 0.264337 0.959E-03 0.004366 0.126E-04 35790.4141
|
||
|
1329 -263.598805 0.106E-03 0.264321 0.956E-03 0.004366 0.126E-04 35810.2129
|
||
|
1333 -263.598795 0.106E-03 0.264226 0.955E-03 0.004365 0.126E-04 35858.9915
|
||
|
1346 -263.598801 0.105E-03 0.264266 0.950E-03 0.004366 0.125E-04 35929.3894
|
||
|
1350 -263.598796 0.105E-03 0.264215 0.948E-03 0.004365 0.125E-04 35946.7691
|
||
|
1356 -263.598784 0.105E-03 0.264098 0.946E-03 0.004364 0.124E-04 35962.5313
|
||
|
1361 -263.598787 0.104E-03 0.264120 0.943E-03 0.004364 0.124E-04 35981.6699
|
||
|
1366 -263.598788 0.104E-03 0.264123 0.939E-03 0.004365 0.124E-04 36009.9000
|
||
|
1368 -263.598782 0.104E-03 0.264071 0.939E-03 0.004364 0.124E-04 36022.5743
|
||
|
1369 -263.598779 0.104E-03 0.264045 0.938E-03 0.004364 0.124E-04 36031.0692
|
||
|
1378 -263.598792 0.103E-03 0.264152 0.934E-03 0.004365 0.123E-04 36104.4958
|
||
|
1380 -263.598788 0.103E-03 0.264116 0.933E-03 0.004365 0.123E-04 36113.4882
|
||
|
1382 -263.598789 0.103E-03 0.264129 0.932E-03 0.004365 0.123E-04 36119.1575
|
||
|
1384 -263.598790 0.103E-03 0.264136 0.931E-03 0.004365 0.123E-04 36138.5166
|
||
|
1387 -263.598793 0.103E-03 0.264144 0.930E-03 0.004365 0.123E-04 36153.5256
|
||
|
1393 -263.598796 0.103E-03 0.264187 0.927E-03 0.004366 0.122E-04 36187.2608
|
||
|
1396 -263.598791 0.102E-03 0.264149 0.926E-03 0.004365 0.122E-04 36193.0901
|
||
|
1397 -263.598787 0.102E-03 0.264115 0.926E-03 0.004365 0.122E-04 36209.6750
|
||
|
1406 -263.598791 0.102E-03 0.264146 0.921E-03 0.004365 0.121E-04 36268.8066
|
||
|
1408 -263.598785 0.102E-03 0.264102 0.920E-03 0.004364 0.121E-04 36270.2376
|
||
|
1409 -263.598783 0.102E-03 0.264086 0.920E-03 0.004364 0.121E-04 36286.0358
|
||
|
1411 -263.598781 0.102E-03 0.264066 0.921E-03 0.004364 0.121E-04 36291.3215
|
||
|
1412 -263.598780 0.102E-03 0.264057 0.920E-03 0.004364 0.121E-04 36292.3634
|
||
|
1416 -263.598782 0.102E-03 0.264066 0.920E-03 0.004364 0.121E-04 36313.2718
|
||
|
1419 -263.598777 0.102E-03 0.264003 0.919E-03 0.004363 0.121E-04 36319.4332
|
||
|
1426 -263.598775 0.101E-03 0.263982 0.915E-03 0.004363 0.121E-04 36361.6881
|
||
|
1427 -263.598777 0.101E-03 0.264006 0.915E-03 0.004364 0.121E-04 36447.0244
|
||
|
1456 -263.598777 0.996E-04 0.263964 0.900E-03 0.004364 0.119E-04 36454.2615
|
||
|
========== ======================= ===================== ===================== ===========
|
||
|
Overlap of perturbed states:
|
||
|
4.364588870281605E-003
|
||
|
-------
|
||
|
|
||
|
.. >>>>> [ RES MEM : 27.833275 GB ] [ VIRT MEM : 40.347870 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 253288.645579 s ] [ CPU TIME: ************** s ] <<<<< ..
|
||
|
|
||
|
* Number of generators 41942959
|
||
|
* Number of comb teeth 100
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
|
||
|
.. >>>>> [ RES MEM : 27.833286 GB ] [ VIRT MEM : 40.347870 GB ] <<<<< ..
|
||
|
.. >>>>> [ WALL TIME: 253289.804532 s ] [ CPU TIME: ************** s ] <<<<< ..
|
||
|
|
||
|
* Number of selectors 41942959
|
||
|
* pt2_n_tasks_max 870
|
||
|
Using 1/c_max^2 weight in selection
|
||
|
# Total weight 1.000000
|
||
|
* Correlation ratio 0.9627559714526024
|
||
|
|
||
|
Summary at N_det = 41943040
|
||
|
-----------------------------------
|
||
|
|
||
|
# ============ =============================
|
||
|
State 1
|
||
|
# ============ =============================
|
||
|
# E -263.56567779
|
||
|
# PT2 -0.03310428 0.00009953
|
||
|
# rPT2 -0.03296042 0.00009910
|
||
|
#
|
||
|
# E+PT2 -263.59878207 0.00009953
|
||
|
# E+rPT2 -263.59863822 0.00009910
|
||
|
# ============ =============================
|
||
|
|
||
|
N_det = 41943040
|
||
|
N_states = 1
|
||
|
|
||
|
* State 1
|
||
|
< S^2 > = 2.521786886452211E-003
|
||
|
E = -263.565677793855
|
||
|
Variance = 0.264013146061248 +/- 8.993690858418747E-004
|
||
|
PT norm = 6.606503515689374E-002 +/- 8.964024541600622E-005
|
||
|
PT2 = -3.310428083674276E-002 +/- 9.952805144452979E-005
|
||
|
rPT2 = -3.296042214508852E-002 +/- 9.909554015288395E-005
|
||
|
E+PT2 = -263.598782074692 +/- 9.952805144452979E-005
|
||
|
E+rPT2 = -263.598638216000 +/- 9.909554015288395E-005
|
||
|
|
||
|
-----
|
||
|
Energy components
|
||
|
=================
|
||
|
|
||
|
State 1
|
||
|
---------
|
||
|
|
||
|
Vnn = 209.251540220442
|
||
|
Ven = -1032.63805632269
|
||
|
Vee = 296.422591813481
|
||
|
Vecp = 0.000000000000000E+000
|
||
|
T = 263.398246494909
|
||
|
|
||
|
|
||
|
|
||
|
Extrapolated energies
|
||
|
------------------------
|
||
|
|
||
|
|
||
|
State 1
|
||
|
|
||
|
=========== ===================
|
||
|
minimum PT2 Extrapolated energy
|
||
|
=========== ===================
|
||
|
-0.0387 -263.61474762
|
||
|
-0.0453 -263.61406227
|
||
|
-0.0524 -263.61420681
|
||
|
-0.0602 -263.61447299
|
||
|
-0.0691 -263.61404630
|
||
|
-0.0788 -263.61366070
|
||
|
-0.0896 -263.61316145
|
||
|
=========== ===================
|
||
|
|
||
|
Wall time: 70:24:08
|
||
|
|