Ec/output/pyrrole.nofci.out

6565 lines
401 KiB
Plaintext

Master : irene4293
Slaves : irene4299,irene4297,irene4298,irene4294,irene4300,irene4316,irene4295,irene4296,irene4301
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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 pyrrole
as a single-node job before re-submitting the current job.
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Date: 12/05/2021 09:54:36
===============
Quantum Package
===============
Git Commit: Merge branch 'master' of github.com:QuantumPackage/qp2
Git Date : Fri Apr 23 23:57:13 2021 +0200
Git SHA1 : 6231812e57a350759b7a732baef6acccacb9229e
EZFIO Dir : pyrrole
Task server running : tcp://10.131.1.152:41279
.. >>>>> [ IO READ: io_mo_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.012863 GB ] [ VIRT MEM : 0.158428 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.000480 s ] [ CPU TIME: 0.022207 s ] <<<<< ..
* mo_num 95
MO map initialized: 10399080
.. >>>>> [ IO READ: no_vvvv_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.016331 GB ] [ VIRT MEM : 8.601650 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.048881 s ] [ CPU TIME: 0.369190 s ] <<<<< ..
.. >>>>> [ IO READ: mo_class ] <<<<< ..
.. >>>>> [ RES MEM : 0.016529 GB ] [ VIRT MEM : 8.601650 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.081508 s ] [ CPU TIME: 4.516038 s ] <<<<< ..
* N_int 2
.. >>>>> [ IO READ: io_ao_two_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 0.016529 GB ] [ VIRT MEM : 8.601650 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.083156 s ] [ CPU TIME: 4.725814 s ] <<<<< ..
.. >>>>> [ IO READ: ao_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016529 GB ] [ VIRT MEM : 8.601650 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.084235 s ] [ CPU TIME: 4.862997 s ] <<<<< ..
AO map initialized : 12753775
Providing the AO integrals
.. >>>>> [ IO READ: ao_prim_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.016739 GB ] [ VIRT MEM : 8.601650 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.088613 s ] [ CPU TIME: 5.413482 s ] <<<<< ..
.. >>>>> [ IO READ: ao_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016739 GB ] [ VIRT MEM : 8.601650 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.089420 s ] [ CPU TIME: 5.515853 s ] <<<<< ..
.. >>>>> [ IO READ: primitives_normalized ] <<<<< ..
.. >>>>> [ RES MEM : 0.016739 GB ] [ VIRT MEM : 8.601650 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.090136 s ] [ CPU TIME: 5.607985 s ] <<<<< ..
.. >>>>> [ IO READ: ao_coef ] <<<<< ..
.. >>>>> [ RES MEM : 0.016853 GB ] [ VIRT MEM : 8.601650 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.095742 s ] [ CPU TIME: 6.259138 s ] <<<<< ..
.. >>>>> [ IO READ: ao_power ] <<<<< ..
.. >>>>> [ RES MEM : 0.016895 GB ] [ VIRT MEM : 8.601650 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.099928 s ] [ CPU TIME: 6.774050 s ] <<<<< ..
.. >>>>> [ IO READ: ao_expo ] <<<<< ..
.. >>>>> [ RES MEM : 0.016922 GB ] [ VIRT MEM : 8.601650 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.103900 s ] [ CPU TIME: 7.226010 s ] <<<<< ..
.. >>>>> [ IO READ: ao_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.016922 GB ] [ VIRT MEM : 8.601650 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.104939 s ] [ CPU TIME: 7.358670 s ] <<<<< ..
.. >>>>> [ IO READ: ao_nucl ] <<<<< ..
.. >>>>> [ RES MEM : 0.017101 GB ] [ VIRT MEM : 8.601650 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.107988 s ] [ CPU TIME: 7.740540 s ] <<<<< ..
.. >>>>> [ IO READ: is_periodic ] <<<<< ..
.. >>>>> [ RES MEM : 0.019577 GB ] [ VIRT MEM : 8.758144 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.174516 s ] [ CPU TIME: 12.177024 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.019791 GB ] [ VIRT MEM : 8.758144 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.177178 s ] [ CPU TIME: 12.474548 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_label ] <<<<< ..
.. >>>>> [ RES MEM : 0.019867 GB ] [ VIRT MEM : 8.758144 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.180856 s ] [ CPU TIME: 12.942176 s ] <<<<< ..
.. >>>>> [ IO READ: nucl_charge ] <<<<< ..
.. >>>>> [ RES MEM : 0.019875 GB ] [ VIRT MEM : 8.758144 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.183996 s ] [ CPU TIME: 13.341335 s ] <<<<< ..
.. >>>>> [ RES MEM : 0.019890 GB ] [ VIRT MEM : 8.758144 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 0.186885 s ] [ CPU TIME: 13.708649 s ] <<<<< ..
Nuclear Coordinates (Angstroms)
===============================
================ ============ ============ ============ ============
Atom Charge X Y Z
================ ============ ============ ============ ============
C 6.000000 0.000000 1.121457 0.331670
C 6.000000 0.000000 -1.121457 0.331670
C 6.000000 0.000000 0.712108 -0.981660
C 6.000000 0.000000 -0.712108 -0.981660
N 7.000000 0.000000 0.000000 1.116217
H 1.000000 0.000000 0.000000 2.118071
H 1.000000 0.000000 2.104265 0.766408
H 1.000000 0.000000 -2.104265 0.766408
H 1.000000 0.000000 1.358539 -1.840675
H 1.000000 0.000000 -1.358539 -1.840675
================ ============ ============ ============ ============
Minimal interatomic distance found: 1.0019 Angstrom
Sorting the map
AO integrals provided:
Size of AO map : 79.9365100860596 MB
Number of AO integrals : 6728921
cpu time : 233.091919000000 s
wall time : 2.22877597808838 s ( x 104.582928608160 )
AO -> MO integrals transformation
---------------------------------
.. >>>>> [ IO READ: mo_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.123737 GB ] [ VIRT MEM : 8.905060 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2.344408 s ] [ CPU TIME: 237.995548 s ] <<<<< ..
Read mo_coef
Buffers : 29.57607 MB / core
.. >>>>> [ IO READ: io_ao_integrals_overlap ] <<<<< ..
.. >>>>> [ RES MEM : 0.750912 GB ] [ VIRT MEM : 11.112022 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2.575474 s ] [ CPU TIME: 251.577540 s ] <<<<< ..
.. >>>>> [ IO READ: ao_one_e_integrals_threshold ] <<<<< ..
.. >>>>> [ RES MEM : 0.759472 GB ] [ VIRT MEM : 11.112022 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2.576373 s ] [ CPU TIME: 251.696588 s ] <<<<< ..
11.00000 % in 2.24755191802979 s 58.7850608825684 MB
Molecular integrals provided:
Size of MO map 102.786354064941 MB
Number of MO integrals: 5481492
cpu time : 299.528429000000 s
wall time : 3.18988895416260 s ( x 93.8993279402830 )
.. >>>>> [ IO READ: do_pt2 ] <<<<< ..
.. >>>>> [ RES MEM : 0.540695 GB ] [ VIRT MEM : 9.442055 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.612899 s ] [ CPU TIME: 551.444032 s ] <<<<< ..
.. >>>>> [ IO READ: read_wf ] <<<<< ..
.. >>>>> [ RES MEM : 0.540695 GB ] [ VIRT MEM : 9.442055 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.724845 s ] [ CPU TIME: 561.330246 s ] <<<<< ..
* mo_label Natural
* Number of determinants 1
.. >>>>> [ IO READ: elec_beta_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.540695 GB ] [ VIRT MEM : 9.442055 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.799321 s ] [ CPU TIME: 561.331099 s ] <<<<< ..
.. >>>>> [ IO READ: elec_alpha_num ] <<<<< ..
.. >>>>> [ RES MEM : 0.540695 GB ] [ VIRT MEM : 9.442055 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.804889 s ] [ CPU TIME: 561.331377 s ] <<<<< ..
* Dimension of the psi arrays 100000
.. >>>>> [ IO READ: n_states ] <<<<< ..
.. >>>>> [ RES MEM : 0.543610 GB ] [ VIRT MEM : 9.445042 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.808055 s ] [ CPU TIME: 561.333899 s ] <<<<< ..
.. >>>>> [ IO READ: n_det_max_full ] <<<<< ..
.. >>>>> [ RES MEM : 0.544353 GB ] [ VIRT MEM : 9.445042 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.811870 s ] [ CPU TIME: 561.334637 s ] <<<<< ..
.. >>>>> [ IO READ: distributed_davidson ] <<<<< ..
.. >>>>> [ RES MEM : 0.544353 GB ] [ VIRT MEM : 9.445042 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 5.812411 s ] [ CPU TIME: 561.334871 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_n_e ] <<<<< ..
.. >>>>> [ RES MEM : 1.292328 GB ] [ VIRT MEM : 11.567211 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.066185 s ] [ CPU TIME: 593.797784 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_n_e ] <<<<< ..
.. >>>>> [ RES MEM : 1.292328 GB ] [ VIRT MEM : 11.567211 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.066960 s ] [ CPU TIME: 593.899097 s ] <<<<< ..
.. >>>>> [ IO READ: do_pseudo ] <<<<< ..
.. >>>>> [ RES MEM : 1.292328 GB ] [ VIRT MEM : 11.567211 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.148141 s ] [ CPU TIME: 602.851478 s ] <<<<< ..
.. >>>>> [ IO READ: restore_symm ] <<<<< ..
.. >>>>> [ RES MEM : 1.295704 GB ] [ VIRT MEM : 11.627319 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.170621 s ] [ CPU TIME: 605.712039 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_integrals_kinetic ] <<<<< ..
.. >>>>> [ RES MEM : 1.295704 GB ] [ VIRT MEM : 11.627319 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.197189 s ] [ CPU TIME: 609.113013 s ] <<<<< ..
.. >>>>> [ IO READ: io_ao_integrals_kinetic ] <<<<< ..
.. >>>>> [ RES MEM : 1.295704 GB ] [ VIRT MEM : 11.627319 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.197975 s ] [ CPU TIME: 609.213335 s ] <<<<< ..
.. >>>>> [ IO READ: io_mo_one_e_integrals ] <<<<< ..
.. >>>>> [ RES MEM : 1.298134 GB ] [ VIRT MEM : 11.627319 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.227280 s ] [ CPU TIME: 612.963559 s ] <<<<< ..
Providing the one-electron integrals
.. >>>>> [ IO READ: io_nuclear_repulsion ] <<<<< ..
.. >>>>> [ RES MEM : 1.298134 GB ] [ VIRT MEM : 11.627319 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.228139 s ] [ CPU TIME: 613.073868 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.298134 GB ] [ VIRT MEM : 11.627319 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.228380 s ] [ CPU TIME: 613.105407 s ] <<<<< ..
* Nuclear repulsion energy 161.2755758666519
.. >>>>> [ IO READ: weight_one_e_dm ] <<<<< ..
.. >>>>> [ RES MEM : 1.298134 GB ] [ VIRT MEM : 11.627319 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.229234 s ] [ CPU TIME: 613.213833 s ] <<<<< ..
.. >>>>> [ IO READ: save_wf_after_selection ] <<<<< ..
.. >>>>> [ RES MEM : 1.303249 GB ] [ VIRT MEM : 11.635139 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.409699 s ] [ CPU TIME: 636.136354 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.303600 GB ] [ VIRT MEM : 11.635273 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.826356 s ] [ CPU TIME: 666.776730 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.303600 GB ] [ VIRT MEM : 11.638260 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.827173 s ] [ CPU TIME: 666.881457 s ] <<<<< ..
Read n_states_diag
.. >>>>> [ IO READ: selection_factor ] <<<<< ..
.. >>>>> [ RES MEM : 1.303600 GB ] [ VIRT MEM : 11.638260 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.827849 s ] [ CPU TIME: 666.966506 s ] <<<<< ..
.. >>>>> [ IO READ: n_det_max ] <<<<< ..
.. >>>>> [ RES MEM : 1.303600 GB ] [ VIRT MEM : 11.638260 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.831153 s ] [ CPU TIME: 667.387885 s ] <<<<< ..
.. >>>>> [ IO READ: pt2_max ] <<<<< ..
.. >>>>> [ RES MEM : 1.303600 GB ] [ VIRT MEM : 11.638260 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.831855 s ] [ CPU TIME: 667.476011 s ] <<<<< ..
.. >>>>> [ IO READ: variance_max ] <<<<< ..
.. >>>>> [ RES MEM : 1.303600 GB ] [ VIRT MEM : 11.638260 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.832479 s ] [ CPU TIME: 667.557403 s ] <<<<< ..
.. >>>>> [ IO READ: correlation_energy_ratio_max ] <<<<< ..
.. >>>>> [ RES MEM : 1.303600 GB ] [ VIRT MEM : 11.638260 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.833132 s ] [ CPU TIME: 667.639951 s ] <<<<< ..
.. >>>>> [ IO READ: s2_eig ] <<<<< ..
.. >>>>> [ RES MEM : 1.303600 GB ] [ VIRT MEM : 11.638260 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.834086 s ] [ CPU TIME: 667.762123 s ] <<<<< ..
.. >>>>> [ IO READ: pt2_relative_error ] <<<<< ..
.. >>>>> [ RES MEM : 1.303600 GB ] [ VIRT MEM : 11.638260 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.834797 s ] [ CPU TIME: 667.851859 s ] <<<<< ..
.. >>>>> [ IO READ: threshold_generators ] <<<<< ..
.. >>>>> [ RES MEM : 1.303600 GB ] [ VIRT MEM : 11.638260 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.835411 s ] [ CPU TIME: 667.930911 s ] <<<<< ..
* Target maximum memory (GB) 250
.. >>>>> [ IO READ: threshold_davidson ] <<<<< ..
.. >>>>> [ RES MEM : 1.344921 GB ] [ VIRT MEM : 11.677361 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.851138 s ] [ CPU TIME: 669.806871 s ] <<<<< ..
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.345013 GB ] [ VIRT MEM : 11.677361 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 6.851565 s ] [ CPU TIME: 669.862005 s ] <<<<< ..
* Energy of state 1 -208.8264556180502
* S^2 of state 1 0.000000000000000
* Saved determinants 1
Starting slaves
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.345081 GB ] [ VIRT MEM : 11.677551 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 10.765838 s ] [ CPU TIME: 789.088694 s ] <<<<< ..
* Number of generators 1
* Number of comb teeth 1
.. >>>>> [ IO READ: h0_type ] <<<<< ..
.. >>>>> [ RES MEM : 1.345081 GB ] [ VIRT MEM : 11.677551 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 10.766652 s ] [ CPU TIME: 789.089038 s ] <<<<< ..
.. >>>>> [ IO READ: weight_selection ] <<<<< ..
.. >>>>> [ RES MEM : 1.345081 GB ] [ VIRT MEM : 11.677555 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 10.768053 s ] [ CPU TIME: 789.218131 s ] <<<<< ..
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ IO READ: pseudo_sym ] <<<<< ..
.. >>>>> [ RES MEM : 1.345081 GB ] [ VIRT MEM : 11.677555 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 10.769095 s ] [ CPU TIME: 789.353584 s ] <<<<< ..
* Number of unique beta determinants 1
* Number of unique alpha determinants 1
.. >>>>> [ RES MEM : 1.346031 GB ] [ VIRT MEM : 11.687450 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 10.769793 s ] [ CPU TIME: 789.441135 s ] <<<<< ..
* Number of selectors 1
.. >>>>> [ IO READ: pt2_min_parallel_tasks ] <<<<< ..
.. >>>>> [ RES MEM : 1.346256 GB ] [ VIRT MEM : 11.691452 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 10.770943 s ] [ CPU TIME: 789.588515 s ] <<<<< ..
* Number of core MOs 5
* pt2_n_tasks_max 1
* PT2 Energy denominator -208.8264556180502
* Estimated memory/thread (Gb) 0.1490116119384766E-06
* Number of active MOs 90
Active MOs:
6 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
* Number of virtual MOs 0
* Number of inactive MOs 0
.. >>>>> [ IO READ: pert_2rdm ] <<<<< ..
.. >>>>> [ RES MEM : 1.349640 GB ] [ VIRT MEM : 11.694946 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 10.973959 s ] [ CPU TIME: 813.260055 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_beta_max ] <<<<< ..
.. >>>>> [ RES MEM : 1.349808 GB ] [ VIRT MEM : 11.694946 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.100348 s ] [ CPU TIME: 815.032999 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_alpha_max ] <<<<< ..
.. >>>>> [ RES MEM : 1.349808 GB ] [ VIRT MEM : 11.694946 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.101191 s ] [ CPU TIME: 815.033254 s ] <<<<< ..
.. >>>>> [ IO READ: excitation_max ] <<<<< ..
.. >>>>> [ RES MEM : 1.349808 GB ] [ VIRT MEM : 11.694946 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.102009 s ] [ CPU TIME: 815.033490 s ] <<<<< ..
.. >>>>> [ IO READ: seniority_max ] <<<<< ..
.. >>>>> [ RES MEM : 1.349808 GB ] [ VIRT MEM : 11.694946 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.102745 s ] [ CPU TIME: 815.033724 s ] <<<<< ..
Overlap of perturbed states:
0.472330369367874
-------
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio -0.3375483750182594E-02
Summary at N_det = 1
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -208.82645562
# PT2 -0.94493177 0.00000000
# rPT2 -0.64179331 0.00000000
#
# E+PT2 -209.77138739 0.00000000
# E+rPT2 -209.46824892 0.00000000
# ============ =============================
N_det = 1
N_states = 1
* State 1
< S^2 > = 0.000000000000000E+000
E = -208.826455618050
Variance = 2.29793861061286 +/- 0.000000000000000E+000
PT norm = 0.687262955038226 +/- 0.000000000000000E+000
PT2 = -0.944931774315334 +/- 0.000000000000000E+000
rPT2 = -0.641793305344254 +/- 0.000000000000000E+000
E+PT2 = -209.771387392366 +/- 0.000000000000000E+000
E+rPT2 = -209.468248923394 +/- 0.000000000000000E+000
-----
.. >>>>> [ IO READ: io_mo_integrals_pseudo ] <<<<< ..
.. >>>>> [ RES MEM : 1.350346 GB ] [ VIRT MEM : 11.694946 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 11.349967 s ] [ CPU TIME: 815.282338 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 = 161.275575866652
Ven = -810.103358426979
Vee = 231.211675332046
Vecp = 0.000000000000000E+000
T = 208.789651610231
.. >>>>> [ IO READ: n_det_iterations ] <<<<< ..
.. >>>>> [ RES MEM : 1.357430 GB ] [ VIRT MEM : 11.741867 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 14.595519 s ] [ CPU TIME: 886.473646 s ] <<<<< ..
.. >>>>> [ IO READ: pt2_iterations ] <<<<< ..
.. >>>>> [ RES MEM : 1.357433 GB ] [ VIRT MEM : 11.741867 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 14.698248 s ] [ CPU TIME: 899.515556 s ] <<<<< ..
.. >>>>> [ IO READ: energy_iterations ] <<<<< ..
.. >>>>> [ RES MEM : 1.357433 GB ] [ VIRT MEM : 11.741867 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 14.999474 s ] [ CPU TIME: 933.498075 s ] <<<<< ..
.. >>>>> [ IO READ: pruning ] <<<<< ..
.. >>>>> [ RES MEM : 1.358135 GB ] [ VIRT MEM : 11.741867 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 17.278325 s ] [ CPU TIME: 1015.208390 s ] <<<<< ..
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.359810 GB ] [ VIRT MEM : 11.741867 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 17.283333 s ] [ CPU TIME: 1015.800104 s ] <<<<< ..
* Energy of state 1 -208.8510503972037
* S^2 of state 1 0.000000000000000
* Saved determinants 5
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.360771 GB ] [ VIRT MEM : 11.741867 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 24.563236 s ] [ CPU TIME: 1156.429242 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 : 1.360771 GB ] [ VIRT MEM : 11.741867 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 24.564416 s ] [ CPU TIME: 1156.527536 s ] <<<<< ..
* Number of selectors 5
* pt2_n_tasks_max 1
* PT2 Energy denominator -208.8510503972037
* Estimated memory/thread (Gb) 0.7450580596923828E-06
Overlap of perturbed states:
0.407862105986087
-------
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.3439028917497868E-01
Summary at N_det = 5
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -208.85105040
# PT2 -0.88688155 0.00000000
# rPT2 -0.62994916 0.00000000
#
# E+PT2 -209.73793195 0.00000000
# E+rPT2 -209.48099956 0.00000000
# ============ =============================
N_det = 5
N_states = 1
* State 1
< S^2 > = 0.000000000000000E+000
E = -208.851050397204
Variance = 2.25425956687296 +/- 0.000000000000000E+000
PT norm = 0.638640827058595 +/- 0.000000000000000E+000
PT2 = -0.886881553904957 +/- 0.000000000000000E+000
rPT2 = -0.629949162019510 +/- 0.000000000000000E+000
E+PT2 = -209.737931951109 +/- 0.000000000000000E+000
E+rPT2 = -209.480999559223 +/- 0.000000000000000E+000
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.175138525177
Vee = 231.209466533722
Vecp = 0.000000000000000E+000
T = 208.839045727600
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.6418 -210.15916193
=========== ===================
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.373657 GB ] [ VIRT MEM : 11.744137 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 25.702303 s ] [ CPU TIME: 1267.067638 s ] <<<<< ..
* Energy of state 1 -208.8667103665441
* S^2 of state 1 0.1450693541076799E-01
* Saved determinants 10
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.373665 GB ] [ VIRT MEM : 11.744137 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 27.296787 s ] [ CPU TIME: 1359.034263 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 7
* Number of unique alpha determinants 8
.. >>>>> [ RES MEM : 1.373665 GB ] [ VIRT MEM : 11.744137 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 27.297725 s ] [ CPU TIME: 1359.153134 s ] <<<<< ..
* Number of selectors 10
* pt2_n_tasks_max 1
* PT2 Energy denominator -208.8667103665441
* Estimated memory/thread (Gb) 0.1490116119384766E-05
Overlap of perturbed states:
0.368904947250873
-------
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.5788937167225879E-01
Summary at N_det = 10
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -208.86671037
# PT2 -0.84869573 0.00000000
# rPT2 -0.61998149 0.00000000
#
# E+PT2 -209.71540610 0.00000000
# E+rPT2 -209.48669186 0.00000000
# ============ =============================
N_det = 10
N_states = 1
* State 1
< S^2 > = 1.450693541076799E-002
E = -208.866710366544
Variance = 2.21958355857692 +/- 0.000000000000000E+000
PT norm = 0.607375458222402 +/- 0.000000000000000E+000
PT2 = -0.848695729662459 +/- 0.000000000000000E+000
rPT2 = -0.619981490582576 +/- 0.000000000000000E+000
E+PT2 = -209.715406096207 +/- 0.000000000000000E+000
E+rPT2 = -209.486691857127 +/- 0.000000000000000E+000
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.210454830540
Vee = 231.199435653919
Vecp = 0.000000000000000E+000
T = 208.868732943425
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.6299 -209.84074840
-0.6418 -210.01635291
=========== ===================
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.374981 GB ] [ VIRT MEM : 11.744137 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 27.784997 s ] [ CPU TIME: 1411.538047 s ] <<<<< ..
* Energy of state 1 -208.8811848661887
* S^2 of state 1 0.1192233432740741E-01
* Saved determinants 20
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.375053 GB ] [ VIRT MEM : 11.744137 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 28.192443 s ] [ CPU TIME: 1463.284890 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 10
* Number of unique alpha determinants 10
.. >>>>> [ RES MEM : 1.375053 GB ] [ VIRT MEM : 11.744137 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 28.192874 s ] [ CPU TIME: 1463.340313 s ] <<<<< ..
* Number of selectors 20
* pt2_n_tasks_max 1
* PT2 Energy denominator -208.8811848661887
* Estimated memory/thread (Gb) 0.2980232238769531E-05
Overlap of perturbed states:
0.341631769874476
-------
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.7950577998379828E-01
Summary at N_det = 20
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -208.88118487
# PT2 -0.81657317 0.00000000
# rPT2 -0.60864179 0.00000000
#
# E+PT2 -209.69775803 0.00000000
# E+rPT2 -209.48982666 0.00000000
# ============ =============================
N_det = 20
N_states = 1
* State 1
< S^2 > = 1.192233432740741E-002
E = -208.881184866189
Variance = 2.18628241266932 +/- 0.000000000000000E+000
PT norm = 0.584492745784305 +/- 0.000000000000000E+000
PT2 = -0.816573167334784 +/- 0.000000000000000E+000
rPT2 = -0.608641794023097 +/- 0.000000000000000E+000
E+PT2 = -209.697758033523 +/- 0.000000000000000E+000
E+rPT2 = -209.489826660212 +/- 0.000000000000000E+000
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.237191565962
Vee = 231.187595606760
Vecp = 0.000000000000000E+000
T = 208.892835226362
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.6200 -209.65808268
-0.6299 -209.74054436
-0.6418 -209.88538905
=========== ===================
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.375912 GB ] [ VIRT MEM : 11.744137 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 33.028298 s ] [ CPU TIME: 1597.394986 s ] <<<<< ..
* Energy of state 1 -208.8989185711821
* S^2 of state 1 0.1734499748943670E-01
* Saved determinants 40
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.375969 GB ] [ VIRT MEM : 11.744137 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 33.847257 s ] [ CPU TIME: 1664.428010 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 18
* Number of unique alpha determinants 19
.. >>>>> [ RES MEM : 1.375969 GB ] [ VIRT MEM : 11.744137 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 33.847733 s ] [ CPU TIME: 1664.489294 s ] <<<<< ..
* Number of selectors 40
* pt2_n_tasks_max 1
* PT2 Energy denominator -208.8989185711821
* Estimated memory/thread (Gb) 0.5960464477539062E-05
Overlap of perturbed states:
0.317356307218027
-------
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.1058996051292088
Summary at N_det = 40
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -208.89891857
# PT2 -0.78194190 0.00000000
# rPT2 -0.59356902 0.00000000
#
# E+PT2 -209.68086047 0.00000000
# E+rPT2 -209.49248760 0.00000000
# ============ =============================
N_det = 40
N_states = 1
* State 1
< S^2 > = 1.734499748943670E-002
E = -208.898918571182
Variance = 2.14298226553904 +/- 0.000000000000000E+000
PT norm = 0.563343862323916 +/- 0.000000000000000E+000
PT2 = -0.781941897338765 +/- 0.000000000000000E+000
rPT2 = -0.593569023850547 +/- 0.000000000000000E+000
E+PT2 = -209.680860468521 +/- 0.000000000000000E+000
E+rPT2 = -209.492487595033 +/- 0.000000000000000E+000
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.259377594221
Vee = 231.167543339857
Vecp = 0.000000000000000E+000
T = 208.917339816530
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.6086 -209.59727580
-0.6200 -209.62155945
-0.6299 -209.67400875
-0.6418 -209.77915754
=========== ===================
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.377407 GB ] [ VIRT MEM : 11.902382 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 36.041731 s ] [ CPU TIME: 1823.434527 s ] <<<<< ..
* Energy of state 1 -208.9220022066905
* S^2 of state 1 0.1609952498197178E-01
* Saved determinants 80
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.377411 GB ] [ VIRT MEM : 11.902382 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 36.430921 s ] [ CPU TIME: 1853.732237 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 34
* Number of unique alpha determinants 35
.. >>>>> [ RES MEM : 1.377411 GB ] [ VIRT MEM : 11.902382 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 36.431417 s ] [ CPU TIME: 1853.797535 s ] <<<<< ..
* Number of selectors 80
* pt2_n_tasks_max 1
* PT2 Energy denominator -208.9220022066905
* Estimated memory/thread (Gb) 0.1192092895507812E-04
Overlap of perturbed states:
0.289358369316737
-------
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.1402117895030130
Summary at N_det = 80
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -208.92200221
# PT2 -0.73836212 0.00000000
# rPT2 -0.57265857 0.00000000
#
# E+PT2 -209.66036433 0.00000000
# E+rPT2 -209.49466078 0.00000000
# ============ =============================
N_det = 80
N_states = 1
* State 1
< S^2 > = 1.609952498197178E-002
E = -208.922002206691
Variance = 2.08140858074576 +/- 0.000000000000000E+000
PT norm = 0.537920411693716 +/- 0.000000000000000E+000
PT2 = -0.738362123704990 +/- 0.000000000000000E+000
rPT2 = -0.572658572880917 +/- 0.000000000000000E+000
E+PT2 = -209.660364330396 +/- 0.000000000000000E+000
E+rPT2 = -209.494660779571 +/- 0.000000000000000E+000
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.255094663284
Vee = 231.124350664720
Vecp = 0.000000000000000E+000
T = 208.933165925222
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.5936 -209.55417613
-0.6086 -209.57068472
-0.6200 -209.58924320
-0.6299 -209.62381722
-0.6418 -209.69559768
=========== ===================
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.380516 GB ] [ VIRT MEM : 12.080269 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 36.926599 s ] [ CPU TIME: 1905.154438 s ] <<<<< ..
* Energy of state 1 -208.9492416442959
* S^2 of state 1 0.1824483648533009E-01
* Saved determinants 160
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.380817 GB ] [ VIRT MEM : 12.080269 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 38.535304 s ] [ CPU TIME: 2011.479799 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 61
* Number of unique alpha determinants 62
.. >>>>> [ RES MEM : 1.380844 GB ] [ VIRT MEM : 12.080269 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 38.536074 s ] [ CPU TIME: 2011.579471 s ] <<<<< ..
* Number of selectors 160
* pt2_n_tasks_max 1
* PT2 Energy denominator -208.9492416442959
* Estimated memory/thread (Gb) 0.2384185791015625E-04
Overlap of perturbed states:
0.261313074950027
-------
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.1803827027858544
Summary at N_det = 160
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -208.94924164
# PT2 -0.69132693 0.00000000
# rPT2 -0.54810098 0.00000000
#
# E+PT2 -209.64056857 0.00000000
# E+rPT2 -209.49734262 0.00000000
# ============ =============================
N_det = 160
N_states = 1
* State 1
< S^2 > = 1.824483648533009E-002
E = -208.949241644296
Variance = 2.00955671842963 +/- 0.000000000000000E+000
PT norm = 0.511187905715723 +/- 0.000000000000000E+000
PT2 = -0.691326929806496 +/- 0.000000000000000E+000
rPT2 = -0.548100977890748 +/- 0.000000000000000E+000
E+PT2 = -209.640568574102 +/- 0.000000000000000E+000
E+rPT2 = -209.497342622187 +/- 0.000000000000000E+000
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.254952037481
Vee = 231.077892241479
Vecp = 0.000000000000000E+000
T = 208.952242285055
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.5727 -209.55719867
-0.5936 -209.55588834
-0.6086 -209.56367091
-0.6200 -209.57526792
-0.6299 -209.59765034
-0.6418 -209.64567678
=========== ===================
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.387909 GB ] [ VIRT MEM : 12.293797 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 39.870285 s ] [ CPU TIME: 2151.918609 s ] <<<<< ..
* Energy of state 1 -208.9826679593982
* S^2 of state 1 0.3202109880231636E-01
* Saved determinants 320
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.388111 GB ] [ VIRT MEM : 12.293797 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 41.461357 s ] [ CPU TIME: 2227.458694 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 109
* Number of unique alpha determinants 109
.. >>>>> [ RES MEM : 1.388161 GB ] [ VIRT MEM : 12.293797 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 41.462250 s ] [ CPU TIME: 2227.573936 s ] <<<<< ..
* Number of selectors 320
* pt2_n_tasks_max 1
* PT2 Energy denominator -208.9826679593982
* Estimated memory/thread (Gb) 0.4768371582031250E-04
Overlap of perturbed states:
0.233051230489872
-------
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.2290974440371524
Summary at N_det = 320
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -208.98266796
# PT2 -0.63919192 0.00000000
# rPT2 -0.51838229 0.00000000
#
# E+PT2 -209.62185988 0.00000000
# E+rPT2 -209.50105025 0.00000000
# ============ =============================
N_det = 320
N_states = 1
* State 1
< S^2 > = 3.202109880231636E-002
E = -208.982667959398
Variance = 1.92131305813472 +/- 0.000000000000000E+000
PT norm = 0.482753799042402 +/- 0.000000000000000E+000
PT2 = -0.639191915957329 +/- 0.000000000000000E+000
rPT2 = -0.518382286276449 +/- 0.000000000000000E+000
E+PT2 = -209.621859875356 +/- 0.000000000000000E+000
E+rPT2 = -209.501050245675 +/- 0.000000000000000E+000
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.253635253297
Vee = 231.022336715356
Vecp = 0.000000000000000E+000
T = 208.973054711890
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.5481 -209.56572222
-0.5727 -209.56213814
-0.5936 -209.55991073
-0.6086 -209.56335570
-0.6200 -209.57026546
-0.6299 -209.58469819
-0.6418 -209.61678903
=========== ===================
Diagonalization of H using Lapack
.. >>>>> [ RES MEM : 1.409523 GB ] [ VIRT MEM : 12.827190 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 46.212851 s ] [ CPU TIME: 2483.266862 s ] <<<<< ..
* Energy of state 1 -209.0252036276658
* S^2 of state 1 0.3943473201759513E-01
* Saved determinants 640
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.409660 GB ] [ VIRT MEM : 12.827190 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 52.244784 s ] [ CPU TIME: 2569.575770 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 187
* Number of unique alpha determinants 186
.. >>>>> [ RES MEM : 1.409660 GB ] [ VIRT MEM : 12.827190 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 52.245629 s ] [ CPU TIME: 2569.687097 s ] <<<<< ..
* Number of selectors 640
* pt2_n_tasks_max 1
* PT2 Energy denominator -209.0252036276658
* Estimated memory/thread (Gb) 0.9536743164062500E-04
Overlap of perturbed states:
0.199411381838309
-------
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.2907969104356327
Summary at N_det = 640
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.02520363
# PT2 -0.57505325 0.00000000
# rPT2 -0.47944622 0.00000000
#
# E+PT2 -209.60025688 0.00000000
# E+rPT2 -209.50464985 0.00000000
# ============ =============================
N_det = 640
N_states = 1
* State 1
< S^2 > = 3.943473201759513E-002
E = -209.025203627666
Variance = 1.80909631596547 +/- 0.000000000000000E+000
PT norm = 0.446555015466525 +/- 0.000000000000000E+000
PT2 = -0.575053254659736 +/- 0.000000000000000E+000
rPT2 = -0.479446221177563 +/- 0.000000000000000E+000
E+PT2 = -209.600256882326 +/- 0.000000000000000E+000
E+rPT2 = -209.504649848843 +/- 0.000000000000000E+000
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.245077802413
Vee = 230.948084112782
Vecp = 0.000000000000000E+000
T = 208.996214195313
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.5184 -209.54897421
-0.5481 -209.55549729
-0.5727 -209.55679067
-0.5936 -209.55683913
-0.6086 -209.55935239
-0.6200 -209.56404848
-0.6299 -209.57370687
=========== ===================
* Number of unique alpha determinants 324
* Number of unique beta determinants 324
.. >>>>> [ IO READ: davidson_sze_max ] <<<<< ..
.. >>>>> [ RES MEM : 1.412148 GB ] [ VIRT MEM : 12.842827 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 54.801325 s ] [ CPU TIME: 2733.795911 s ] <<<<< ..
.. >>>>> [ IO READ: state_following ] <<<<< ..
.. >>>>> [ RES MEM : 1.412380 GB ] [ VIRT MEM : 12.842827 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 54.802303 s ] [ CPU TIME: 2733.923354 s ] <<<<< ..
.. >>>>> [ IO READ: only_expected_s2 ] <<<<< ..
.. >>>>> [ RES MEM : 1.412380 GB ] [ VIRT MEM : 12.842827 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 54.803056 s ] [ CPU TIME: 2734.019758 s ] <<<<< ..
.. >>>>> [ IO READ: disk_based_davidson ] <<<<< ..
.. >>>>> [ RES MEM : 1.412380 GB ] [ VIRT MEM : 12.842827 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 54.803848 s ] [ CPU TIME: 2734.120572 s ] <<<<< ..
.. >>>>> [ IO READ: threshold_davidson_from_pt2 ] <<<<< ..
.. >>>>> [ RES MEM : 1.412380 GB ] [ VIRT MEM : 12.842827 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 54.805105 s ] [ CPU TIME: 2734.280189 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.412380 GB ] [ VIRT MEM : 12.842827 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 54.805365 s ] [ CPU TIME: 2734.315310 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) 0.3637123852968216E-02
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.0252036277 0.039435 0.228E-01
1 -209.0753494537 0.040583 0.171E-03
2 -209.0756675770 0.040436 0.336E-05
3 -209.0756734141 0.040394 0.543E-07
4 -209.0756735265 0.040384 0.841E-09
5 -209.0756735282 0.040384 0.110E-10
====== ================ =========== ===========
.. >>>>> [ RES MEM : 1.413086 GB ] [ VIRT MEM : 12.843884 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 54.840924 s ] [ CPU TIME: 2738.840895 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.413086 GB ] [ VIRT MEM : 12.843884 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 54.841196 s ] [ CPU TIME: 2738.877563 s ] <<<<< ..
* Energy of state 1 -209.0756735281979
* S^2 of state 1 0.4038376049327740E-01
* Saved determinants 1280
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.413254 GB ] [ VIRT MEM : 12.843884 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 59.180300 s ] [ CPU TIME: 2871.727295 s ] <<<<< ..
* Number of generators 1280
* Number of comb teeth 64
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 1.413254 GB ] [ VIRT MEM : 12.843884 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 59.185756 s ] [ CPU TIME: 2872.422008 s ] <<<<< ..
* Number of selectors 1280
* pt2_n_tasks_max 1
* PT2 Energy denominator -209.0756735281979
.. >>>>> [ RES MEM : 1.413254 GB ] [ VIRT MEM : 12.843884 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 59.187890 s ] [ CPU TIME: 2872.696397 s ] <<<<< ..
* Number of generators 1280
* Number of comb teeth 64
.. >>>>> [ RES MEM : 1.413254 GB ] [ VIRT MEM : 12.843884 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 59.192717 s ] [ CPU TIME: 2873.310629 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) 0.3322879821062088E-01
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.582359 0.313E-03 1.679177 0.132E-02 0.166111 0.882E-04 1.1732
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
0.165963269443885
-------
.. >>>>> [ RES MEM : 1.432732 GB ] [ VIRT MEM : 12.859524 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 60.622481 s ] [ CPU TIME: 3053.739037 s ] <<<<< ..
* Number of generators 1280
* Number of comb teeth 64
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 1.432732 GB ] [ VIRT MEM : 12.859524 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 60.627425 s ] [ CPU TIME: 3054.372149 s ] <<<<< ..
* Number of selectors 1280
* pt2_n_tasks_max 1
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.3626824250075488
Summary at N_det = 1280
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.07567353
# PT2 -0.50619126 0.00017090
# rPT2 -0.43413997 0.00014657
#
# E+PT2 -209.58186479 0.00017090
# E+rPT2 -209.50981350 0.00014657
# ============ =============================
N_det = 1280
N_states = 1
* State 1
< S^2 > = 4.038376049327740E-002
E = -209.075673528198
Variance = 1.67758385456282 +/- 7.250101210792140E-004
PT norm = 0.407385897453367 +/- 5.869784421566252E-005
PT2 = -0.506191260797283 +/- 1.709008574470528E-004
rPT2 = -0.434139971698006 +/- 1.465748209448873E-004
E+PT2 = -209.581864788995 +/- 1.709008574470528E-004
E+rPT2 = -209.509813499896 +/- 1.465748209448873E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.237821906542
Vee = 230.865228284330
Vecp = 0.000000000000000E+000
T = 209.021344227362
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.4794 -209.55929337
-0.5184 -209.55495290
-0.5481 -209.55644704
-0.5727 -209.55693916
-0.5936 -209.55694103
-0.6086 -209.55845139
-0.6200 -209.56149144
=========== ===================
* Number of unique alpha determinants 553
* Number of unique beta determinants 553
.. >>>>> [ RES MEM : 1.434418 GB ] [ VIRT MEM : 12.859524 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 61.457172 s ] [ CPU TIME: 3149.390071 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) 0.6632037460803986E-02
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.0756735282 0.040384 0.245E-01
1 -209.1327797445 0.042826 0.136E-02
2 -209.1335050005 0.041466 0.458E-04
3 -209.1335578342 0.041739 0.431E-06
4 -209.1335587408 0.041732 0.782E-08
5 -209.1335587581 0.041729 0.144E-09
6 -209.1335587584 0.041729 0.251E-11
====== ================ =========== ===========
.. >>>>> [ RES MEM : 1.436218 GB ] [ VIRT MEM : 12.860748 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 61.486412 s ] [ CPU TIME: 3153.125345 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.436218 GB ] [ VIRT MEM : 12.860748 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 61.486698 s ] [ CPU TIME: 3153.161505 s ] <<<<< ..
* Energy of state 1 -209.1335587583808
* S^2 of state 1 0.4172898646502665E-01
* Saved determinants 2560
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.436642 GB ] [ VIRT MEM : 12.860748 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 65.991557 s ] [ CPU TIME: 3291.406004 s ] <<<<< ..
* Number of generators 2560
* Number of comb teeth 82
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 1.436642 GB ] [ VIRT MEM : 12.860748 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 65.995487 s ] [ CPU TIME: 3291.907394 s ] <<<<< ..
* Number of selectors 2560
* pt2_n_tasks_max 1
* PT2 Energy denominator -209.1335587583808
.. >>>>> [ RES MEM : 1.436798 GB ] [ VIRT MEM : 12.860748 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 65.999149 s ] [ CPU TIME: 3292.376613 s ] <<<<< ..
* Number of generators 2560
* Number of comb teeth 82
.. >>>>> [ RES MEM : 1.436798 GB ] [ VIRT MEM : 12.860748 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 66.002190 s ] [ CPU TIME: 3292.764674 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) 0.5778296738862991E-01
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.567581 0.122E-02 1.531158 0.541E-02 0.133118 0.277E-03 1.9111
30 -209.568423 0.161E-03 1.533882 0.714E-03 0.133355 0.389E-04 2.9608
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
0.133337915033855
-------
.. >>>>> [ RES MEM : 1.483028 GB ] [ VIRT MEM : 12.923321 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 69.258687 s ] [ CPU TIME: 3705.276912 s ] <<<<< ..
* Number of generators 2560
* Number of comb teeth 82
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 1.483028 GB ] [ VIRT MEM : 12.923321 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 69.261775 s ] [ CPU TIME: 3705.675123 s ] <<<<< ..
* Number of selectors 2560
* pt2_n_tasks_max 1
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.4428579653263719
Summary at N_det = 2560
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.13355876
# PT2 -0.43479152 0.00013622
# rPT2 -0.38363803 0.00012019
#
# E+PT2 -209.56835028 0.00013622
# E+rPT2 -209.51719679 0.00012019
# ============ =============================
N_det = 2560
N_states = 1
* State 1
< S^2 > = 4.172898646502665E-002
E = -209.133558758381
Variance = 1.53355995384842 +/- 6.513273012874616E-004
PT norm = 0.365154645368034 +/- 4.280706867446239E-005
PT2 = -0.434791524177145 +/- 1.362208043385935E-004
rPT2 = -0.383638029231694 +/- 1.201943414506911E-004
E+PT2 = -209.568350282558 +/- 1.362208043385935E-004
E+rPT2 = -209.517196787613 +/- 1.201943414506911E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.240138253549
Vee = 230.778920673824
Vecp = 0.000000000000000E+000
T = 209.052082954692
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.4341 -209.57328394
-0.4794 -209.56730653
-0.5184 -209.56261028
-0.5481 -209.56174858
-0.5727 -209.56113351
-0.5936 -209.56055331
-0.6086 -209.56112355
=========== ===================
* Number of unique alpha determinants 971
* Number of unique beta determinants 971
.. >>>>> [ RES MEM : 1.484200 GB ] [ VIRT MEM : 12.923321 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 71.837682 s ] [ CPU TIME: 3809.811343 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) 0.1241190731525421E-01
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.1335587584 0.041729 0.244E-01
1 -209.1950840318 0.039383 0.129E-02
2 -209.1959269384 0.038154 0.137E-04
3 -209.1959512478 0.037930 0.278E-06
4 -209.1959517944 0.037901 0.624E-08
5 -209.1959518075 0.037900 0.118E-09
6 -209.1959518078 0.037901 0.233E-11
====== ================ =========== ===========
.. >>>>> [ RES MEM : 1.488266 GB ] [ VIRT MEM : 12.923321 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 71.871894 s ] [ CPU TIME: 3814.189388 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.488266 GB ] [ VIRT MEM : 12.923321 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 71.872171 s ] [ CPU TIME: 3814.228528 s ] <<<<< ..
* Energy of state 1 -209.1959518077563
* S^2 of state 1 0.3790059633042844E-01
* Saved determinants 5120
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.488552 GB ] [ VIRT MEM : 12.923321 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 74.023517 s ] [ CPU TIME: 3913.361944 s ] <<<<< ..
* Number of generators 5120
* Number of comb teeth 98
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 1.488598 GB ] [ VIRT MEM : 12.923321 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 74.026491 s ] [ CPU TIME: 3913.743198 s ] <<<<< ..
* Number of selectors 5120
* pt2_n_tasks_max 1
* PT2 Energy denominator -209.1959518077563
.. >>>>> [ RES MEM : 1.488647 GB ] [ VIRT MEM : 12.923321 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 74.029049 s ] [ CPU TIME: 3914.071404 s ] <<<<< ..
* Number of generators 5120
* Number of comb teeth 98
.. >>>>> [ RES MEM : 1.488647 GB ] [ VIRT MEM : 12.923321 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 74.030415 s ] [ CPU TIME: 3914.245798 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) 0.1068907096982002
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.559070 0.367E-03 1.372546 0.122E-02 0.103392 0.195E-03 3.4762
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
0.103581149630298
-------
.. >>>>> [ RES MEM : 1.590481 GB ] [ VIRT MEM : 13.013397 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 77.868351 s ] [ CPU TIME: 4402.591827 s ] <<<<< ..
* Number of generators 5120
* Number of comb teeth 98
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 1.590481 GB ] [ VIRT MEM : 13.013397 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 77.869824 s ] [ CPU TIME: 4402.782439 s ] <<<<< ..
* Number of selectors 5120
* pt2_n_tasks_max 1
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.5268096197253715
Summary at N_det = 5120
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.19595181
# PT2 -0.36412567 0.00018807
# rPT2 -0.32994916 0.00017041
#
# E+PT2 -209.56007748 0.00018807
# E+rPT2 -209.52590096 0.00017041
# ============ =============================
N_det = 5120
N_states = 1
* State 1
< S^2 > = 3.790059633042844E-002
E = -209.195951807756
Variance = 1.37784240902344 +/- 9.099743665269491E-004
PT norm = 0.321840254831955 +/- 7.208382025031024E-005
PT2 = -0.364125668099856 +/- 1.880655387990298E-004
rPT2 = -0.329949155276745 +/- 1.704138738343185E-004
E+PT2 = -209.560077475856 +/- 1.880655387990298E-004
E+rPT2 = -209.525900963033 +/- 1.704138738343185E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.239843838629
Vee = 230.688648525305
Vecp = 0.000000000000000E+000
T = 209.079667638915
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.3836 -209.57939315
-0.4341 -209.57673927
-0.4794 -209.57254526
-0.5184 -209.56860555
-0.5481 -209.56702517
-0.5727 -209.56591053
-0.5936 -209.56499747
=========== ===================
* Number of unique alpha determinants 1735
* Number of unique beta determinants 1735
.. >>>>> [ RES MEM : 1.592777 GB ] [ VIRT MEM : 13.013397 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 84.065515 s ] [ CPU TIME: 4526.777596 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) 0.2359372377395630E-01
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.1959518078 0.037901 0.223E-01
1 -209.2585024805 0.031113 0.663E-03
2 -209.2592275892 0.030590 0.118E-04
3 -209.2592508355 0.030447 0.314E-06
4 -209.2592514868 0.030426 0.755E-08
5 -209.2592515037 0.030426 0.164E-09
6 -209.2592515041 0.030426 0.444E-11
====== ================ =========== ===========
.. >>>>> [ RES MEM : 1.601067 GB ] [ VIRT MEM : 13.023186 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 84.132722 s ] [ CPU TIME: 4535.367385 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.598614 GB ] [ VIRT MEM : 13.018291 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 84.133374 s ] [ CPU TIME: 4535.457059 s ] <<<<< ..
* Energy of state 1 -209.2592515040553
* S^2 of state 1 0.3042556127299990E-01
* Saved determinants 10240
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.593849 GB ] [ VIRT MEM : 13.013397 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 91.083172 s ] [ CPU TIME: 4704.244752 s ] <<<<< ..
* Number of generators 10240
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 1.593956 GB ] [ VIRT MEM : 13.013397 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 91.089933 s ] [ CPU TIME: 4704.842072 s ] <<<<< ..
* Number of selectors 10240
* pt2_n_tasks_max 2
* PT2 Energy denominator -209.2592515040553
.. >>>>> [ RES MEM : 1.594997 GB ] [ VIRT MEM : 13.013397 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 91.095724 s ] [ CPU TIME: 4705.581499 s ] <<<<< ..
* Number of generators 10240
* Number of comb teeth 100
.. >>>>> [ RES MEM : 1.591263 GB ] [ VIRT MEM : 13.009487 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 91.097339 s ] [ CPU TIME: 4705.791910 s ] <<<<< ..
* Number of selectors 10240
* pt2_n_tasks_max 2
* Number of tasks 10620
* Number of fragmented tasks 380
* Number of threads for PT2 128
* Memory (Gb) 0.2051716178655624
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.555335 0.298E-03 1.206940 0.428E-02 0.077788 0.860E-04 3.5714
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
7.792950224913299E-002
-------
.. >>>>> [ RES MEM : 1.834373 GB ] [ VIRT MEM : 13.244362 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 95.170918 s ] [ CPU TIME: 5223.669919 s ] <<<<< ..
* Number of generators 10240
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 1.834373 GB ] [ VIRT MEM : 13.244362 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 95.172124 s ] [ CPU TIME: 5223.826770 s ] <<<<< ..
* Number of selectors 10240
* pt2_n_tasks_max 2
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.6100524197320005
Summary at N_det = 10240
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.25925150
# PT2 -0.29671574 0.00023328
# rPT2 -0.27526451 0.00021641
#
# E+PT2 -209.55596724 0.00023328
# E+rPT2 -209.53451602 0.00021641
# ============ =============================
N_det = 10240
N_states = 1
* State 1
< S^2 > = 3.042556127299990E-002
E = -209.259251504055
Variance = 1.20975268461242 +/- 1.376963161627395E-003
PT norm = 0.279158561124557 +/- 8.968107772095592E-005
PT2 = -0.296715739878895 +/- 2.332784167430476E-004
rPT2 = -0.275264513365473 +/- 2.164134261621980E-004
E+PT2 = -209.555967243934 +/- 2.332784167430476E-004
E+rPT2 = -209.534516017421 +/- 2.164134261621980E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.234170910428
Vee = 230.592541225391
Vecp = 0.000000000000000E+000
T = 209.106802314330
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.3299 -209.57788137
-0.3836 -209.57854525
-0.4341 -209.57742713
-0.4794 -209.57482232
-0.5184 -209.57195027
-0.5481 -209.57044960
-0.5727 -209.56932130
=========== ===================
* Number of unique alpha determinants 2986
* Number of unique beta determinants 2987
.. >>>>> [ RES MEM : 1.835354 GB ] [ VIRT MEM : 13.240452 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 95.709679 s ] [ CPU TIME: 5286.692694 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) 0.4450865089893341E-01
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.2592515041 0.030426 0.195E-01
1 -209.3195872919 0.023037 0.374E-03
2 -209.3202357796 0.022683 0.813E-05
3 -209.3202542658 0.022631 0.241E-06
4 -209.3202548270 0.022624 0.750E-08
5 -209.3202548455 0.022624 0.198E-09
6 -209.3202548460 0.022625 0.582E-11
====== ================ =========== ===========
.. >>>>> [ RES MEM : 1.850040 GB ] [ VIRT MEM : 13.266838 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 95.842912 s ] [ CPU TIME: 5303.745722 s ] <<<<< ..
.. >>>>> [ RES MEM : 1.842743 GB ] [ VIRT MEM : 13.251198 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 95.844129 s ] [ CPU TIME: 5303.904614 s ] <<<<< ..
* Energy of state 1 -209.3202548459928
* S^2 of state 1 0.2262455843017909E-01
* Saved determinants 20480
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 1.842945 GB ] [ VIRT MEM : 13.251198 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 98.218423 s ] [ CPU TIME: 5433.882962 s ] <<<<< ..
* Number of generators 20480
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 1.842945 GB ] [ VIRT MEM : 13.251198 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 98.224940 s ] [ CPU TIME: 5434.717335 s ] <<<<< ..
* Number of selectors 20480
* pt2_n_tasks_max 3
* PT2 Energy denominator -209.3202548459928
.. >>>>> [ RES MEM : 1.834198 GB ] [ VIRT MEM : 13.244186 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 98.230542 s ] [ CPU TIME: 5435.434892 s ] <<<<< ..
* Number of generators 20480
* Number of comb teeth 100
.. >>>>> [ RES MEM : 1.830498 GB ] [ VIRT MEM : 13.240452 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 98.232339 s ] [ CPU TIME: 5435.665364 s ] <<<<< ..
* Number of selectors 20480
* pt2_n_tasks_max 3
* Number of tasks 21404
* Number of fragmented tasks 462
* Number of threads for PT2 128
* Memory (Gb) 0.4016669973731041
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.556742 0.205E-02 1.042697 0.102E-01 0.057138 0.481E-03 4.7375
22 -209.557107 0.380E-03 1.047372 0.250E-02 0.057096 0.634E-04 5.9085
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
5.707478388645986E-002
-------
.. >>>>> [ RES MEM : 2.262779 GB ] [ VIRT MEM : 13.661980 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 104.586578 s ] [ CPU TIME: 6245.101930 s ] <<<<< ..
* Number of generators 20480
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 2.262779 GB ] [ VIRT MEM : 13.661980 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 104.587865 s ] [ CPU TIME: 6245.268897 s ] <<<<< ..
* Number of selectors 20480
* pt2_n_tasks_max 3
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.6870280117650618
Summary at N_det = 20480
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.32025485
# PT2 -0.23674678 0.00036186
# rPT2 -0.22396408 0.00034232
#
# E+PT2 -209.55700163 0.00036186
# E+rPT2 -209.54421893 0.00034232
# ============ =============================
N_det = 20480
N_states = 1
* State 1
< S^2 > = 2.262455843017909E-002
E = -209.320254845993
Variance = 1.04682187361893 +/- 2.324465612469579E-003
PT norm = 0.238903294005043 +/- 1.358861853888689E-004
PT2 = -0.236746780831650 +/- 3.618578025836903E-004
rPT2 = -0.223964079401480 +/- 3.423199645849819E-004
E+PT2 = -209.557001626824 +/- 3.618578025836903E-004
E+rPT2 = -209.544218925394 +/- 3.423199645849819E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.232433507526
Vee = 230.502515247164
Vecp = 0.000000000000000E+000
T = 209.134087547717
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.2753 -209.58657925
-0.3299 -209.58260262
-0.3836 -209.58138039
-0.4341 -209.57998895
-0.4794 -209.57782690
-0.5184 -209.57545633
-0.5481 -209.57401381
=========== ===================
* Number of unique alpha determinants 5373
* Number of unique beta determinants 5374
.. >>>>> [ RES MEM : 2.266159 GB ] [ VIRT MEM : 13.661980 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 105.140610 s ] [ CPU TIME: 6308.717867 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) 0.8572437986731529E-01
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.3202548460 0.022625 0.152E-01
1 -209.3724390020 0.014448 0.322E-03
2 -209.3731184871 0.014140 0.846E-05
3 -209.3731402961 0.014096 0.306E-06
4 -209.3731410933 0.014094 0.117E-07
5 -209.3731411249 0.014094 0.441E-09
6 -209.3731411261 0.014094 0.171E-10
====== ================ =========== ===========
.. >>>>> [ RES MEM : 2.293503 GB ] [ VIRT MEM : 13.715702 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 105.516004 s ] [ CPU TIME: 6356.766356 s ] <<<<< ..
.. >>>>> [ RES MEM : 2.278904 GB ] [ VIRT MEM : 13.683468 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 105.518291 s ] [ CPU TIME: 6357.063970 s ] <<<<< ..
* Energy of state 1 -209.3731411261007
* S^2 of state 1 0.1409440588044980E-01
* Saved determinants 40960
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 2.260529 GB ] [ VIRT MEM : 13.662861 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 109.195311 s ] [ CPU TIME: 6497.076670 s ] <<<<< ..
* Number of generators 40960
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 2.262730 GB ] [ VIRT MEM : 13.662861 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 109.208087 s ] [ CPU TIME: 6498.313967 s ] <<<<< ..
* Number of selectors 40960
* pt2_n_tasks_max 5
* PT2 Energy denominator -209.3731411261007
.. >>>>> [ RES MEM : 2.263645 GB ] [ VIRT MEM : 13.662861 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 109.215898 s ] [ CPU TIME: 6499.314261 s ] <<<<< ..
* Number of generators 40960
* Number of comb teeth 100
.. >>>>> [ RES MEM : 2.263645 GB ] [ VIRT MEM : 13.662861 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 109.217174 s ] [ CPU TIME: 6499.479638 s ] <<<<< ..
* Number of selectors 40960
* pt2_n_tasks_max 5
* Number of tasks 51373
* Number of fragmented tasks 8826
* Number of threads for PT2 128
* Memory (Gb) 0.7946577563881874
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.558615 0.338E-03 0.885066 0.394E-02 0.041211 0.381E-04 5.5283
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
4.150551743054498E-002
-------
.. >>>>> [ RES MEM : 2.812809 GB ] [ VIRT MEM : 14.209927 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 115.311245 s ] [ CPU TIME: 7274.955524 s ] <<<<< ..
* Number of generators 40960
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 2.812809 GB ] [ VIRT MEM : 14.209927 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 115.312961 s ] [ CPU TIME: 7275.179750 s ] <<<<< ..
* Number of selectors 40960
* pt2_n_tasks_max 5
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.7522052476769658
Summary at N_det = 40960
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.37314113
# PT2 -0.18682556 0.00045986
# rPT2 -0.17938029 0.00044153
#
# E+PT2 -209.55996668 0.00045986
# E+rPT2 -209.55252141 0.00044153
# ============ =============================
N_det = 40960
N_states = 1
* State 1
< S^2 > = 1.409440588044980E-002
E = -209.373141126101
Variance = 0.891837336884274 +/- 2.597905416545814E-003
PT norm = 0.203729029425227 +/- 3.160847371708141E-004
PT2 = -0.186825557814762 +/- 4.598574889025093E-004
rPT2 = -0.179380286218427 +/- 4.415314957111362E-004
E+PT2 = -209.559966683915 +/- 4.598574889025093E-004
E+rPT2 = -209.552521412319 +/- 4.415314957111362E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.280852671271
Vee = 230.459149050542
Vecp = 0.000000000000000E+000
T = 209.172986627976
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.2240 -209.58592598
-0.2753 -209.58623676
-0.3299 -209.58411635
-0.3836 -209.58295252
-0.4341 -209.58171060
-0.4794 -209.57994978
-0.5184 -209.57800498
=========== ===================
* Number of unique alpha determinants 10318
* Number of unique beta determinants 10316
.. >>>>> [ RES MEM : 2.818527 GB ] [ VIRT MEM : 14.209927 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 115.950302 s ] [ CPU TIME: 7351.051473 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) 0.1690481565892696
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.3731411261 0.014094 0.103E-01
1 -209.4115911083 0.007400 0.284E-03
2 -209.4122179161 0.007186 0.918E-05
3 -209.4122417025 0.007176 0.447E-06
4 -209.4122428573 0.007175 0.222E-07
5 -209.4122429171 0.007176 0.119E-08
6 -209.4122429204 0.007176 0.750E-10
====== ================ =========== ===========
.. >>>>> [ RES MEM : 2.887012 GB ] [ VIRT MEM : 14.317360 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 116.943016 s ] [ CPU TIME: 7477.941815 s ] <<<<< ..
.. >>>>> [ RES MEM : 2.857845 GB ] [ VIRT MEM : 14.252899 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 116.947186 s ] [ CPU TIME: 7478.478788 s ] <<<<< ..
* Energy of state 1 -209.4122429203801
* S^2 of state 1 0.7175905906766173E-02
* Saved determinants 81920
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 2.817440 GB ] [ VIRT MEM : 14.209927 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 123.599062 s ] [ CPU TIME: 7653.248748 s ] <<<<< ..
* Number of generators 81920
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 2.817440 GB ] [ VIRT MEM : 14.209927 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 123.628434 s ] [ CPU TIME: 7656.807072 s ] <<<<< ..
* Number of selectors 81920
* pt2_n_tasks_max 9
* PT2 Energy denominator -209.4122429203801
.. >>>>> [ RES MEM : 2.831264 GB ] [ VIRT MEM : 14.223450 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 123.645696 s ] [ CPU TIME: 7659.014064 s ] <<<<< ..
* Number of generators 81920
* Number of comb teeth 100
.. >>>>> [ RES MEM : 2.831264 GB ] [ VIRT MEM : 14.223450 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 123.647697 s ] [ CPU TIME: 7659.269791 s ] <<<<< ..
* Number of selectors 81920
* pt2_n_tasks_max 9
* Number of tasks 109164
* Number of fragmented tasks 11855
* Number of threads for PT2 128
* Memory (Gb) 1.580639274418354
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.564591 0.312E-02 0.783884 0.166E-01 0.031316 0.606E-03 6.6280
5 -209.562759 0.198E-02 0.770305 0.127E-01 0.031069 0.325E-03 9.1403
6 -209.563012 0.162E-02 0.770605 0.102E-01 0.031155 0.277E-03 10.5857
7 -209.562996 0.134E-02 0.771462 0.846E-02 0.031109 0.233E-03 12.0770
8 -209.562584 0.123E-02 0.769362 0.760E-02 0.031031 0.217E-03 13.7394
9 -209.562781 0.104E-02 0.769757 0.653E-02 0.031094 0.183E-03 15.0587
11 -209.562698 0.873E-03 0.769858 0.524E-02 0.031058 0.170E-03 16.7104
13 -209.563001 0.677E-03 0.770804 0.409E-02 0.031145 0.135E-03 18.6922
14 -209.563052 0.628E-03 0.770793 0.378E-02 0.031166 0.126E-03 19.8833
16 -209.563302 0.628E-03 0.771432 0.365E-02 0.031237 0.128E-03 20.8960
18 -209.563161 0.582E-03 0.770319 0.335E-02 0.031228 0.119E-03 22.6359
19 -209.562976 0.582E-03 0.769211 0.336E-02 0.031196 0.117E-03 24.0734
20 -209.562960 0.522E-03 0.769121 0.309E-02 0.031196 0.103E-03 25.2833
22 -209.562996 0.501E-03 0.769770 0.304E-02 0.031189 0.963E-04 26.4534
24 -209.562770 0.438E-03 0.768879 0.280E-02 0.031133 0.820E-04 27.8776
26 -209.562590 0.423E-03 0.767840 0.269E-02 0.031100 0.793E-04 29.4587
27 -209.562704 0.423E-03 0.768484 0.267E-02 0.031120 0.789E-04 30.4761
28 -209.562692 0.407E-03 0.768526 0.257E-02 0.031116 0.761E-04 31.7764
29 -209.562664 0.380E-03 0.768036 0.247E-02 0.031124 0.686E-04 32.7903
30 -209.562608 0.371E-03 0.767760 0.240E-02 0.031111 0.675E-04 33.7957
32 -209.562545 0.341E-03 0.767458 0.216E-02 0.031098 0.615E-04 35.9475
34 -209.562531 0.320E-03 0.767265 0.203E-02 0.031100 0.579E-04 37.5316
36 -209.562500 0.304E-03 0.767087 0.192E-02 0.031094 0.553E-04 39.2801
39 -209.562614 0.310E-03 0.767478 0.196E-02 0.031126 0.558E-04 40.6444
41 -209.562630 0.300E-03 0.767502 0.190E-02 0.031132 0.540E-04 42.5527
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
3.113211297975184E-002
-------
.. >>>>> [ RES MEM : 3.908508 GB ] [ VIRT MEM : 15.309486 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 167.267744 s ] [ CPU TIME: 13223.996868 s ] <<<<< ..
* Number of generators 81920
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 3.908508 GB ] [ VIRT MEM : 15.309486 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 167.270564 s ] [ CPU TIME: 13224.364301 s ] <<<<< ..
* Number of selectors 81920
* pt2_n_tasks_max 9
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.8000664077790909
Summary at N_det = 81920
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.41224292
# PT2 -0.15038701 0.00030001
# rPT2 -0.14584650 0.00029096
#
# E+PT2 -209.56262993 0.00030001
# E+rPT2 -209.55808942 0.00029096
# ============ =============================
N_det = 81920
N_states = 1
* State 1
< S^2 > = 7.175905906766173E-003
E = -209.412242920380
Variance = 0.767502014536554 +/- 1.897494171577298E-003
PT norm = 0.176442945395252 +/- 1.531558598735517E-004
PT2 = -0.150387013168775 +/- 3.000131477035175E-004
rPT2 = -0.145846503348818 +/- 2.909551006384075E-004
E+PT2 = -209.562629933549 +/- 3.000131477035175E-004
E+rPT2 = -209.558089423729 +/- 2.909551006384075E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.273836789072
Vee = 230.391980697245
Vecp = 0.000000000000000E+000
T = 209.194037304795
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.1794 -209.58230605
-0.2240 -209.58419935
-0.2753 -209.58505535
-0.3299 -209.58400884
-0.3836 -209.58322785
-0.4341 -209.58228971
-0.4794 -209.58091573
=========== ===================
* Number of unique alpha determinants 20288
* Number of unique beta determinants 20288
.. >>>>> [ RES MEM : 3.908161 GB ] [ VIRT MEM : 15.301575 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 169.507137 s ] [ CPU TIME: 13359.449130 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) 0.3361261226236820
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.4122429204 0.007176 0.608E-02
1 -209.4360559164 0.003838 0.183E-03
2 -209.4365604930 0.003779 0.115E-04
3 -209.4365901892 0.003806 0.775E-06
4 -209.4365922143 0.003811 0.548E-07
5 -209.4365923588 0.003813 0.416E-08
6 -209.4365923702 0.003814 0.306E-09
7 -209.4365923710 0.003814 0.239E-10
====== ================ =========== ===========
.. >>>>> [ RES MEM : 3.972504 GB ] [ VIRT MEM : 15.444862 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 171.362314 s ] [ CPU TIME: 13597.100553 s ] <<<<< ..
.. >>>>> [ RES MEM : 3.828518 GB ] [ VIRT MEM : 15.230007 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 171.377488 s ] [ CPU TIME: 13599.059650 s ] <<<<< ..
* Energy of state 1 -209.4365923710385
* S^2 of state 1 0.3814477954548648E-02
* Saved determinants 163840
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 3.824921 GB ] [ VIRT MEM : 15.230007 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 173.923540 s ] [ CPU TIME: 13725.220502 s ] <<<<< ..
* Number of generators 163840
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 3.831390 GB ] [ VIRT MEM : 15.230007 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 173.965114 s ] [ CPU TIME: 13730.543077 s ] <<<<< ..
* Number of selectors 163840
* pt2_n_tasks_max 17
* PT2 Energy denominator -209.4365923710385
.. >>>>> [ RES MEM : 3.852352 GB ] [ VIRT MEM : 15.251499 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 173.997394 s ] [ CPU TIME: 13734.674460 s ] <<<<< ..
* Number of generators 163840
* Number of comb teeth 100
.. >>>>> [ RES MEM : 3.852856 GB ] [ VIRT MEM : 15.251499 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 174.000221 s ] [ CPU TIME: 13735.036281 s ] <<<<< ..
* Number of selectors 163840
* pt2_n_tasks_max 17
* Number of tasks 214215
* Number of fragmented tasks 14105
* Number of threads for PT2 128
* Memory (Gb) 3.152602310478687
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.566595 0.257E-02 0.696551 0.168E-01 0.025534 0.429E-03 5.9365
25 -209.564970 0.426E-03 0.686345 0.281E-02 0.025261 0.770E-04 7.4075
31 -209.564958 0.382E-03 0.685353 0.244E-02 0.025292 0.717E-04 8.4381
39 -209.565193 0.365E-03 0.686578 0.221E-02 0.025332 0.697E-04 9.5034
45 -209.565247 0.318E-03 0.687445 0.198E-02 0.025324 0.598E-04 10.5736
51 -209.565246 0.303E-03 0.687377 0.187E-02 0.025326 0.572E-04 11.5933
64 -209.565199 0.255E-03 0.687693 0.164E-02 0.025299 0.458E-04 12.7236
71 -209.565212 0.231E-03 0.687683 0.152E-02 0.025305 0.407E-04 13.7638
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
2.529382459083866E-002
-------
.. >>>>> [ RES MEM : 5.226513 GB ] [ VIRT MEM : 16.993004 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 188.742798 s ] [ CPU TIME: 15564.149133 s ] <<<<< ..
* Number of generators 163840
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 5.226513 GB ] [ VIRT MEM : 16.993004 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 188.747027 s ] [ CPU TIME: 15564.696140 s ] <<<<< ..
* Number of selectors 163840
* pt2_n_tasks_max 17
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.8290385069526237
Summary at N_det = 163840
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.43659237
# PT2 -0.12854630 0.00022148
# rPT2 -0.12537508 0.00021602
#
# E+PT2 -209.56513867 0.00022148
# E+rPT2 -209.56196745 0.00021602
# ============ =============================
N_det = 163840
N_states = 1
* State 1
< S^2 > = 3.814477954548648E-003
E = -209.436592371039
Variance = 0.687307316926380 +/- 1.450590427629426E-003
PT norm = 0.159040323788776 +/- 1.215657069746145E-004
PT2 = -0.128546298304767 +/- 2.214839450843527E-004
rPT2 = -0.125375082948603 +/- 2.160199737599509E-004
E+PT2 = -209.565138669343 +/- 2.214839450843527E-004
E+rPT2 = -209.561967453987 +/- 2.160199737599509E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.260394435414
Vee = 230.337645348228
Vecp = 0.000000000000000E+000
T = 209.210580849496
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.1458 -209.58571805
-0.1794 -209.58366685
-0.2240 -209.58433618
-0.2753 -209.58490582
-0.3299 -209.58416382
-0.3836 -209.58353689
-0.4341 -209.58276031
=========== ===================
* Number of unique alpha determinants 37595
* Number of unique beta determinants 37591
.. >>>>> [ RES MEM : 3.763680 GB ] [ VIRT MEM : 15.133339 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 192.045011 s ] [ CPU TIME: 15780.184492 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) 0.6564616113901138
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.4365923710 0.003814 0.353E-02
1 -209.4505954985 0.003183 0.273E-03
2 -209.4510134467 0.003241 0.177E-04
3 -209.4510618902 0.003322 0.177E-05
4 -209.4510666490 0.003337 0.186E-06
5 -209.4510671046 0.003342 0.201E-07
6 -209.4510671561 0.003345 0.208E-08
7 -209.4510671616 0.003345 0.184E-09
8 -209.4510671621 0.003345 0.153E-10
====== ================ =========== ===========
.. >>>>> [ RES MEM : 4.063801 GB ] [ VIRT MEM : 15.563038 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 196.085635 s ] [ CPU TIME: 16297.747590 s ] <<<<< ..
.. >>>>> [ RES MEM : 3.761211 GB ] [ VIRT MEM : 15.133339 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 196.112543 s ] [ CPU TIME: 16301.191820 s ] <<<<< ..
* Energy of state 1 -209.4510671620582
* S^2 of state 1 0.3345499757893072E-02
* Saved determinants 327680
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 3.759872 GB ] [ VIRT MEM : 15.133339 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 198.547931 s ] [ CPU TIME: 16430.845616 s ] <<<<< ..
* Number of generators 327680
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 3.760616 GB ] [ VIRT MEM : 15.133339 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 198.625428 s ] [ CPU TIME: 16440.766072 s ] <<<<< ..
* Number of selectors 327680
* pt2_n_tasks_max 33
* PT2 Energy denominator -209.4510671620582
.. >>>>> [ RES MEM : 3.800793 GB ] [ VIRT MEM : 15.176315 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 198.697676 s ] [ CPU TIME: 16450.012470 s ] <<<<< ..
* Number of generators 327680
* Number of comb teeth 100
.. >>>>> [ RES MEM : 3.800919 GB ] [ VIRT MEM : 15.176315 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 198.702313 s ] [ CPU TIME: 16450.607817 s ] <<<<< ..
* Number of selectors 327680
* pt2_n_tasks_max 33
* Number of tasks 407524
* Number of fragmented tasks 15509
* Number of threads for PT2 128
* Memory (Gb) 6.296528382599353
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.567182 0.755E-03 0.642550 0.705E-02 0.021991 0.101E-03 4.9388
6 -209.568368 0.701E-03 0.651103 0.540E-02 0.022119 0.115E-03 6.1570
8 -209.567728 0.697E-03 0.647212 0.496E-02 0.022008 0.112E-03 7.7922
12 -209.566997 0.637E-03 0.641195 0.441E-02 0.021940 0.100E-03 9.3164
14 -209.566744 0.557E-03 0.639910 0.378E-02 0.021891 0.903E-04 10.4508
18 -209.566882 0.580E-03 0.640570 0.366E-02 0.021926 0.103E-03 11.7279
20 -209.566917 0.521E-03 0.640480 0.324E-02 0.021940 0.961E-04 13.2144
24 -209.566805 0.445E-03 0.639048 0.288E-02 0.021951 0.802E-04 14.2990
28 -209.566701 0.399E-03 0.639192 0.261E-02 0.021915 0.727E-04 15.6098
31 -209.566772 0.380E-03 0.639201 0.244E-02 0.021938 0.707E-04 16.8951
34 -209.566614 0.370E-03 0.637929 0.242E-02 0.021921 0.677E-04 18.2803
39 -209.566490 0.311E-03 0.637771 0.208E-02 0.021877 0.571E-04 19.4614
43 -209.566410 0.294E-03 0.637603 0.198E-02 0.021853 0.544E-04 20.9926
48 -209.566318 0.266E-03 0.637458 0.180E-02 0.021824 0.493E-04 22.1162
52 -209.566585 0.295E-03 0.638734 0.198E-02 0.021879 0.520E-04 23.2000
58 -209.566504 0.298E-03 0.638762 0.197E-02 0.021851 0.536E-04 24.2269
63 -209.566433 0.292E-03 0.638227 0.190E-02 0.021843 0.522E-04 25.3078
71 -209.566434 0.266E-03 0.638263 0.177E-02 0.021842 0.463E-04 26.4267
78 -209.566666 0.254E-03 0.639320 0.165E-02 0.021892 0.453E-04 27.5785
81 -209.566724 0.247E-03 0.639535 0.160E-02 0.021905 0.444E-04 28.5970
85 -209.566870 0.256E-03 0.640415 0.162E-02 0.021930 0.462E-04 30.0828
96 -209.566818 0.243E-03 0.639849 0.156E-02 0.021929 0.437E-04 31.1005
109 -209.566856 0.219E-03 0.640024 0.139E-02 0.021935 0.396E-04 32.5251
111 -209.566911 0.223E-03 0.640345 0.140E-02 0.021946 0.406E-04 34.1760
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
2.193801924946739E-002
-------
.. >>>>> [ RES MEM : 4.089611 GB ] [ VIRT MEM : 15.460464 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 235.006485 s ] [ CPU TIME: 20968.411287 s ] <<<<< ..
* Number of generators 327680
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 4.089611 GB ] [ VIRT MEM : 15.460464 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 235.022701 s ] [ CPU TIME: 20970.484666 s ] <<<<< ..
* Number of selectors 327680
* pt2_n_tasks_max 33
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.8460070020963820
Summary at N_det = 327680
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.45106716
# PT2 -0.11578646 0.00020542
# rPT2 -0.11330086 0.00020101
#
# E+PT2 -209.56685362 0.00020542
# E+rPT2 -209.56436802 0.00020101
# ============ =============================
N_det = 327680
N_states = 1
* State 1
< S^2 > = 3.345499757893072E-003
E = -209.451067162058
Variance = 0.639902719466172 +/- 1.274094462669943E-003
PT norm = 0.148114885306870 +/- 1.285496394728973E-004
PT2 = -0.115786457485392 +/- 2.054173161253543E-004
rPT2 = -0.113300861015454 +/- 2.010076073656767E-004
E+PT2 = -209.566853619544 +/- 2.054173161253543E-004
E+rPT2 = -209.564368023074 +/- 2.010076073656767E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.252770100336
Vee = 230.297088251800
Vecp = 0.000000000000000E+000
T = 209.229038819826
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.1254 -209.58689424
-0.1458 -209.58615469
-0.1794 -209.58442511
-0.2240 -209.58463489
-0.2753 -209.58499849
-0.3299 -209.58437558
-0.3836 -209.58382443
=========== ===================
* Number of unique alpha determinants 62076
* Number of unique beta determinants 62092
.. >>>>> [ RES MEM : 3.731575 GB ] [ VIRT MEM : 15.114922 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 239.552279 s ] [ CPU TIME: 21314.017300 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) 1.244029123336077
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.4510671621 0.003345 0.249E-02
1 -209.4613434635 0.003675 0.261E-03
2 -209.4616295076 0.003769 0.185E-04
3 -209.4616782836 0.003878 0.231E-05
4 -209.4616841091 0.003904 0.274E-06
5 -209.4616848112 0.003911 0.324E-07
6 -209.4616849003 0.003914 0.405E-08
7 -209.4616849111 0.003915 0.438E-09
8 -209.4616849123 0.003915 0.442E-10
====== ================ =========== ===========
.. >>>>> [ RES MEM : 4.131382 GB ] [ VIRT MEM : 15.759174 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 248.009422 s ] [ CPU TIME: 22391.717029 s ] <<<<< ..
.. >>>>> [ RES MEM : 3.525948 GB ] [ VIRT MEM : 14.899788 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 248.058472 s ] [ CPU TIME: 22397.995190 s ] <<<<< ..
* Energy of state 1 -209.4616849123046
* S^2 of state 1 0.3915291334202370E-02
* Saved determinants 655360
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 3.497269 GB ] [ VIRT MEM : 14.868889 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 253.265832 s ] [ CPU TIME: 22543.808281 s ] <<<<< ..
* Number of generators 655360
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 3.358337 GB ] [ VIRT MEM : 14.712975 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 253.440185 s ] [ CPU TIME: 22566.126196 s ] <<<<< ..
* Number of selectors 655360
* pt2_n_tasks_max 66
* PT2 Energy denominator -209.4616849123046
.. >>>>> [ RES MEM : 3.430172 GB ] [ VIRT MEM : 14.790874 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 253.585964 s ] [ CPU TIME: 22584.788170 s ] <<<<< ..
* Number of generators 655360
* Number of comb teeth 100
.. >>>>> [ RES MEM : 3.430172 GB ] [ VIRT MEM : 14.790874 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 253.594262 s ] [ CPU TIME: 22585.849950 s ] <<<<< ..
* Number of selectors 655360
* pt2_n_tasks_max 66
* Number of tasks 805425
* Number of fragmented tasks 16309
* Number of threads for PT2 128
* Memory (Gb) 12.58444684445858
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.569133 0.979E-03 0.607609 0.982E-02 0.019831 0.111E-03 9.2564
4 -209.568545 0.907E-03 0.605381 0.666E-02 0.019678 0.192E-03 11.2388
5 -209.567808 0.107E-02 0.600994 0.698E-02 0.019557 0.196E-03 13.4384
6 -209.567903 0.858E-03 0.600258 0.546E-02 0.019618 0.176E-03 15.2262
7 -209.566881 0.129E-02 0.593580 0.834E-02 0.019452 0.228E-03 17.1866
8 -209.566837 0.113E-02 0.593862 0.734E-02 0.019428 0.200E-03 19.4825
9 -209.566440 0.109E-02 0.592675 0.662E-02 0.019327 0.211E-03 21.3976
11 -209.566424 0.874E-03 0.592055 0.532E-02 0.019334 0.169E-03 22.5239
12 -209.566874 0.920E-03 0.594406 0.541E-02 0.019422 0.179E-03 24.2045
13 -209.566971 0.850E-03 0.595044 0.501E-02 0.019436 0.165E-03 26.3257
15 -209.567231 0.731E-03 0.596281 0.437E-02 0.019493 0.139E-03 28.6080
18 -209.567099 0.651E-03 0.595962 0.378E-02 0.019458 0.127E-03 29.8524
19 -209.566817 0.684E-03 0.594076 0.407E-02 0.019416 0.128E-03 32.0707
20 -209.566882 0.652E-03 0.594912 0.395E-02 0.019411 0.121E-03 33.4690
22 -209.567004 0.642E-03 0.595947 0.407E-02 0.019421 0.111E-03 35.1506
23 -209.566939 0.617E-03 0.595758 0.389E-02 0.019405 0.107E-03 36.2563
26 -209.566852 0.547E-03 0.595311 0.345E-02 0.019386 0.945E-04 37.3718
27 -209.566943 0.534E-03 0.595659 0.334E-02 0.019408 0.936E-04 38.6136
28 -209.567017 0.520E-03 0.596512 0.333E-02 0.019409 0.902E-04 39.9684
29 -209.567005 0.501E-03 0.596623 0.321E-02 0.019401 0.874E-04 41.4072
30 -209.567037 0.484E-03 0.596951 0.314E-02 0.019404 0.839E-04 43.2967
32 -209.567205 0.470E-03 0.597804 0.303E-02 0.019438 0.822E-04 44.9043
34 -209.567586 0.538E-03 0.600364 0.349E-02 0.019495 0.907E-04 46.9996
35 -209.567599 0.523E-03 0.600128 0.340E-02 0.019507 0.888E-04 48.1790
37 -209.567671 0.510E-03 0.600691 0.331E-02 0.019515 0.862E-04 49.5715
40 -209.567794 0.507E-03 0.601665 0.331E-02 0.019529 0.857E-04 51.0876
41 -209.567736 0.498E-03 0.601315 0.325E-02 0.019518 0.843E-04 52.1534
43 -209.567600 0.470E-03 0.600556 0.305E-02 0.019492 0.794E-04 55.2116
47 -209.567707 0.436E-03 0.601443 0.281E-02 0.019503 0.743E-04 57.4866
49 -209.567884 0.447E-03 0.602776 0.292E-02 0.019524 0.738E-04 58.9964
50 -209.567889 0.438E-03 0.602662 0.286E-02 0.019529 0.725E-04 60.0822
54 -209.567866 0.410E-03 0.602508 0.265E-02 0.019524 0.686E-04 63.0015
59 -209.567823 0.404E-03 0.602045 0.259E-02 0.019521 0.689E-04 64.0224
63 -209.567926 0.388E-03 0.602966 0.253E-02 0.019530 0.651E-04 65.3313
67 -209.568093 0.385E-03 0.604107 0.252E-02 0.019556 0.638E-04 66.5395
70 -209.568114 0.370E-03 0.604371 0.243E-02 0.019555 0.612E-04 68.5228
73 -209.568184 0.360E-03 0.604634 0.235E-02 0.019572 0.604E-04 71.2994
77 -209.568231 0.348E-03 0.604763 0.225E-02 0.019585 0.597E-04 73.0795
85 -209.568276 0.322E-03 0.605201 0.208E-02 0.019588 0.553E-04 75.1428
88 -209.568303 0.312E-03 0.605435 0.201E-02 0.019591 0.539E-04 76.1576
89 -209.568332 0.310E-03 0.605551 0.199E-02 0.019598 0.537E-04 77.5217
96 -209.568258 0.301E-03 0.604969 0.193E-02 0.019587 0.517E-04 79.5935
97 -209.568269 0.298E-03 0.605064 0.192E-02 0.019589 0.512E-04 80.6396
103 -209.568178 0.301E-03 0.604279 0.192E-02 0.019580 0.516E-04 83.0778
107 -209.568255 0.310E-03 0.604617 0.197E-02 0.019597 0.532E-04 84.1160
113 -209.568171 0.294E-03 0.604119 0.187E-02 0.019583 0.505E-04 87.0549
122 -209.568089 0.279E-03 0.603510 0.178E-02 0.019572 0.478E-04 89.1773
126 -209.568119 0.267E-03 0.603617 0.170E-02 0.019579 0.463E-04 90.3683
127 -209.568107 0.265E-03 0.603525 0.168E-02 0.019578 0.459E-04 92.0480
134 -209.568113 0.261E-03 0.603543 0.166E-02 0.019580 0.450E-04 93.1294
137 -209.568115 0.256E-03 0.603536 0.160E-02 0.019581 0.449E-04 94.8513
141 -209.568185 0.251E-03 0.603938 0.158E-02 0.019594 0.442E-04 98.8741
155 -209.568292 0.243E-03 0.604352 0.149E-02 0.019618 0.430E-04 101.3624
162 -209.568170 0.237E-03 0.603583 0.146E-02 0.019598 0.421E-04 102.3898
165 -209.568205 0.235E-03 0.603882 0.145E-02 0.019601 0.416E-04 103.4273
167 -209.568270 0.234E-03 0.604129 0.144E-02 0.019617 0.415E-04 105.1026
171 -209.568277 0.236E-03 0.604098 0.145E-02 0.019620 0.418E-04 107.6043
182 -209.568246 0.223E-03 0.604070 0.136E-02 0.019610 0.397E-04 109.0901
190 -209.568216 0.219E-03 0.603882 0.134E-02 0.019605 0.389E-04 110.6514
193 -209.568216 0.217E-03 0.603883 0.133E-02 0.019605 0.385E-04 112.0932
196 -209.568202 0.214E-03 0.603783 0.131E-02 0.019603 0.380E-04 114.0823
207 -209.568228 0.206E-03 0.604086 0.126E-02 0.019604 0.365E-04 115.1221
208 -209.568241 0.205E-03 0.604176 0.126E-02 0.019605 0.364E-04 116.5322
217 -209.568252 0.204E-03 0.604209 0.125E-02 0.019608 0.362E-04 117.5724
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
1.960654121153898E-002
-------
.. >>>>> [ RES MEM : 2.976265 GB ] [ VIRT MEM : 14.353672 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 374.922614 s ] [ CPU TIME: 37751.924381 s ] <<<<< ..
* Number of generators 655360
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 2.976276 GB ] [ VIRT MEM : 14.353901 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 374.938123 s ] [ CPU TIME: 37753.910193 s ] <<<<< ..
* Number of selectors 655360
* pt2_n_tasks_max 66
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.8583008779585302
Summary at N_det = 655360
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.46168491
# PT2 -0.10656439 0.00019414
# rPT2 -0.10451521 0.00019041
#
# E+PT2 -209.56824930 0.00019414
# E+rPT2 -209.56620012 0.00019041
# ============ =============================
N_det = 655360
N_states = 1
* State 1
< S^2 > = 3.915291334202370E-003
E = -209.461684912305
Variance = 0.604241931129175 +/- 1.188355775154799E-003
PT norm = 0.140023359520971 +/- 1.240418612414681E-004
PT2 = -0.106564389114583 +/- 1.941439700429171E-004
rPT2 = -0.104515207393588 +/- 1.904106752907128E-004
E+PT2 = -209.568249301419 +/- 1.941439700429171E-004
E+rPT2 = -209.566200119698 +/- 1.904106752907128E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.253390374098
Vee = 230.268218748304
Vecp = 0.000000000000000E+000
T = 209.247910846837
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.1133 -209.58799496
-0.1254 -209.58736253
-0.1458 -209.58658004
-0.1794 -209.58500519
-0.2240 -209.58495825
-0.2753 -209.58517305
-0.3299 -209.58460558
=========== ===================
* Number of unique alpha determinants 99218
* Number of unique beta determinants 99211
.. >>>>> [ RES MEM : 3.067417 GB ] [ VIRT MEM : 14.472408 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 379.886821 s ] [ CPU TIME: 38254.155576 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) 2.356869798153639
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.4616849123 0.003915 0.214E-02
1 -209.4709946577 0.004422 0.168E-03
2 -209.4711910768 0.004495 0.126E-04
3 -209.4712242020 0.004585 0.185E-05
4 -209.4712288132 0.004621 0.255E-06
5 -209.4712295069 0.004630 0.333E-07
6 -209.4712296027 0.004633 0.497E-08
7 -209.4712296160 0.004635 0.596E-09
8 -209.4712296177 0.004635 0.699E-10
====== ================ =========== ===========
.. >>>>> [ RES MEM : 4.511955 GB ] [ VIRT MEM : 16.460327 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 398.717059 s ] [ CPU TIME: 40472.415596 s ] <<<<< ..
.. >>>>> [ RES MEM : 3.301025 GB ] [ VIRT MEM : 14.741566 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 398.807163 s ] [ CPU TIME: 40483.949641 s ] <<<<< ..
* Energy of state 1 -209.4712296177166
* S^2 of state 1 0.4635142712033389E-02
* Saved determinants 1310720
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 3.117172 GB ] [ VIRT MEM : 14.526703 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 408.236252 s ] [ CPU TIME: 40665.024949 s ] <<<<< ..
* Number of generators 1310718
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 3.013340 GB ] [ VIRT MEM : 14.401196 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 408.632546 s ] [ CPU TIME: 40715.754583 s ] <<<<< ..
* Number of selectors 1310718
* pt2_n_tasks_max 132
* PT2 Energy denominator -209.4712296177166
.. >>>>> [ RES MEM : 3.214790 GB ] [ VIRT MEM : 14.621975 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 409.063649 s ] [ CPU TIME: 40770.937529 s ] <<<<< ..
* Number of generators 1310718
* Number of comb teeth 100
.. >>>>> [ RES MEM : 3.224358 GB ] [ VIRT MEM : 14.632721 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 409.083815 s ] [ CPU TIME: 40773.517911 s ] <<<<< ..
* Number of selectors 1310718
* pt2_n_tasks_max 132
* Number of tasks 1552792
* Number of fragmented tasks 16899
* Number of threads for PT2 128
* Memory (Gb) 25.16028369911015
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.567091 0.104E-02 0.554807 0.113E-01 0.017257 0.365E-04 41.4767
4 -209.567744 0.982E-03 0.559594 0.900E-02 0.017337 0.955E-04 52.0367
5 -209.567746 0.757E-03 0.559249 0.686E-02 0.017339 0.739E-04 62.4121
6 -209.567587 0.628E-03 0.557950 0.582E-02 0.017319 0.601E-04 72.3702
7 -209.567634 0.552E-03 0.558027 0.502E-02 0.017335 0.585E-04 81.1734
8 -209.567267 0.609E-03 0.555530 0.504E-02 0.017274 0.813E-04 90.6316
9 -209.567575 0.611E-03 0.558125 0.512E-02 0.017308 0.804E-04 101.0723
10 -209.567398 0.574E-03 0.557046 0.469E-02 0.017277 0.785E-04 102.3002
11 -209.567487 0.522E-03 0.557984 0.434E-02 0.017280 0.688E-04 106.1475
12 -209.568086 0.775E-03 0.561551 0.538E-02 0.017381 0.121E-03 113.8571
13 -209.568776 0.100E-02 0.565510 0.639E-02 0.017498 0.163E-03 117.9007
14 -209.569041 0.964E-03 0.565806 0.591E-02 0.017585 0.175E-03 128.5487
15 -209.568867 0.907E-03 0.565208 0.549E-02 0.017544 0.167E-03 131.7319
16 -209.569280 0.946E-03 0.567753 0.575E-02 0.017613 0.171E-03 133.9817
18 -209.569095 0.861E-03 0.566466 0.526E-02 0.017586 0.154E-03 140.2129
19 -209.569084 0.814E-03 0.566381 0.497E-02 0.017583 0.146E-03 150.4581
20 -209.568783 0.819E-03 0.564678 0.499E-02 0.017528 0.147E-03 157.1048
22 -209.569015 0.775E-03 0.566426 0.472E-02 0.017559 0.139E-03 161.9523
23 -209.569191 0.761E-03 0.567515 0.461E-02 0.017587 0.137E-03 165.5338
24 -209.569093 0.735E-03 0.567037 0.444E-02 0.017567 0.133E-03 168.0791
25 -209.568991 0.712E-03 0.566460 0.430E-02 0.017549 0.128E-03 169.5125
26 -209.568724 0.735E-03 0.564842 0.444E-02 0.017505 0.131E-03 172.2892
27 -209.568742 0.707E-03 0.564853 0.427E-02 0.017508 0.126E-03 179.5482
28 -209.568775 0.682E-03 0.565026 0.412E-02 0.017515 0.122E-03 188.5124
29 -209.568746 0.658E-03 0.564787 0.396E-02 0.017512 0.118E-03 193.6024
30 -209.568786 0.637E-03 0.565040 0.384E-02 0.017519 0.114E-03 201.9208
32 -209.568683 0.602E-03 0.564362 0.363E-02 0.017502 0.108E-03 208.6058
33 -209.568797 0.595E-03 0.565085 0.360E-02 0.017521 0.106E-03 211.9096
34 -209.568759 0.583E-03 0.564755 0.354E-02 0.017517 0.103E-03 217.6546
35 -209.568841 0.572E-03 0.565054 0.345E-02 0.017538 0.102E-03 222.7479
36 -209.569019 0.584E-03 0.566099 0.351E-02 0.017571 0.105E-03 225.4564
37 -209.569151 0.583E-03 0.566785 0.349E-02 0.017597 0.106E-03 233.1625
41 -209.568962 0.537E-03 0.565244 0.329E-02 0.017574 0.959E-04 239.7446
42 -209.568879 0.530E-03 0.564873 0.323E-02 0.017556 0.954E-04 248.8145
43 -209.568918 0.519E-03 0.565213 0.316E-02 0.017558 0.931E-04 250.8347
44 -209.568958 0.508E-03 0.565553 0.310E-02 0.017561 0.910E-04 253.5269
45 -209.569087 0.514E-03 0.566333 0.313E-02 0.017583 0.917E-04 254.9570
47 -209.569062 0.492E-03 0.566494 0.299E-02 0.017571 0.890E-04 262.4831
48 -209.569086 0.482E-03 0.566708 0.293E-02 0.017574 0.871E-04 265.0593
50 -209.569098 0.461E-03 0.567016 0.281E-02 0.017567 0.826E-04 270.4918
51 -209.569080 0.452E-03 0.566927 0.276E-02 0.017564 0.810E-04 273.0752
52 -209.569011 0.449E-03 0.566574 0.274E-02 0.017550 0.799E-04 274.6285
53 -209.569103 0.450E-03 0.567168 0.275E-02 0.017565 0.797E-04 276.4985
54 -209.569079 0.442E-03 0.567050 0.270E-02 0.017559 0.784E-04 278.4467
55 -209.569107 0.435E-03 0.567340 0.267E-02 0.017562 0.770E-04 281.2387
58 -209.568986 0.417E-03 0.566653 0.254E-02 0.017540 0.744E-04 285.9341
60 -209.569012 0.404E-03 0.566794 0.246E-02 0.017545 0.720E-04 288.7199
61 -209.568952 0.402E-03 0.566434 0.245E-02 0.017534 0.716E-04 291.0997
62 -209.569094 0.420E-03 0.567442 0.261E-02 0.017556 0.735E-04 292.8876
63 -209.569076 0.414E-03 0.567327 0.257E-02 0.017553 0.724E-04 296.2882
64 -209.569183 0.411E-03 0.567980 0.256E-02 0.017570 0.712E-04 297.8448
67 -209.569115 0.402E-03 0.567636 0.250E-02 0.017557 0.695E-04 299.7189
68 -209.569112 0.396E-03 0.567604 0.246E-02 0.017556 0.685E-04 303.8940
70 -209.569058 0.387E-03 0.567318 0.240E-02 0.017546 0.669E-04 305.1233
71 -209.568995 0.381E-03 0.567089 0.237E-02 0.017531 0.659E-04 307.7253
74 -209.568931 0.372E-03 0.566567 0.231E-02 0.017524 0.642E-04 314.2636
75 -209.568915 0.367E-03 0.566401 0.229E-02 0.017523 0.634E-04 315.4794
76 -209.568960 0.365E-03 0.566632 0.227E-02 0.017531 0.632E-04 320.5338
78 -209.569010 0.369E-03 0.567034 0.227E-02 0.017538 0.643E-04 321.5956
79 -209.568978 0.366E-03 0.566924 0.224E-02 0.017531 0.639E-04 324.6365
80 -209.569040 0.366E-03 0.567301 0.225E-02 0.017541 0.640E-04 325.6843
82 -209.569017 0.358E-03 0.567289 0.220E-02 0.017533 0.627E-04 329.8238
83 -209.568996 0.348E-03 0.567024 0.214E-02 0.017534 0.612E-04 331.1110
85 -209.568925 0.344E-03 0.566603 0.212E-02 0.017522 0.604E-04 334.2356
86 -209.568882 0.343E-03 0.566284 0.212E-02 0.017516 0.599E-04 335.7547
87 -209.568829 0.343E-03 0.565965 0.212E-02 0.017507 0.599E-04 340.0344
90 -209.568812 0.334E-03 0.565763 0.208E-02 0.017507 0.579E-04 341.0494
91 -209.568748 0.326E-03 0.565411 0.203E-02 0.017495 0.567E-04 344.9347
92 -209.568773 0.323E-03 0.565645 0.202E-02 0.017497 0.561E-04 347.1019
93 -209.568755 0.320E-03 0.565564 0.200E-02 0.017493 0.556E-04 348.2739
95 -209.568816 0.325E-03 0.566028 0.203E-02 0.017501 0.563E-04 350.6857
96 -209.568778 0.324E-03 0.565800 0.202E-02 0.017495 0.561E-04 352.3760
97 -209.568800 0.322E-03 0.565939 0.201E-02 0.017498 0.556E-04 354.7584
98 -209.568796 0.318E-03 0.565908 0.199E-02 0.017497 0.551E-04 356.5718
103 -209.568854 0.313E-03 0.566092 0.195E-02 0.017513 0.544E-04 361.2047
104 -209.568838 0.310E-03 0.565934 0.194E-02 0.017512 0.539E-04 364.8430
107 -209.568768 0.309E-03 0.565523 0.192E-02 0.017500 0.534E-04 366.5852
109 -209.568707 0.306E-03 0.565232 0.190E-02 0.017487 0.532E-04 368.5631
111 -209.568657 0.303E-03 0.564961 0.188E-02 0.017478 0.527E-04 371.3424
112 -209.568675 0.301E-03 0.565109 0.187E-02 0.017480 0.523E-04 373.2627
114 -209.568660 0.296E-03 0.565046 0.184E-02 0.017477 0.514E-04 375.2168
115 -209.568625 0.296E-03 0.564877 0.183E-02 0.017470 0.514E-04 376.7319
118 -209.568678 0.296E-03 0.565268 0.185E-02 0.017477 0.508E-04 379.3276
120 -209.568686 0.291E-03 0.565287 0.182E-02 0.017479 0.500E-04 382.1096
123 -209.568673 0.285E-03 0.565210 0.178E-02 0.017476 0.491E-04 385.4345
125 -209.568688 0.281E-03 0.565371 0.176E-02 0.017477 0.484E-04 388.2593
126 -209.568718 0.280E-03 0.565517 0.175E-02 0.017483 0.484E-04 389.8371
127 -209.568675 0.280E-03 0.565261 0.176E-02 0.017477 0.481E-04 391.7606
129 -209.568673 0.276E-03 0.565298 0.173E-02 0.017475 0.474E-04 394.1908
133 -209.568695 0.270E-03 0.565442 0.170E-02 0.017479 0.462E-04 395.6646
134 -209.568715 0.269E-03 0.565596 0.170E-02 0.017482 0.459E-04 399.7206
138 -209.568849 0.272E-03 0.566279 0.171E-02 0.017508 0.466E-04 401.8680
139 -209.568838 0.271E-03 0.566216 0.170E-02 0.017505 0.463E-04 404.5759
141 -209.568902 0.271E-03 0.566603 0.170E-02 0.017517 0.465E-04 406.3079
145 -209.568882 0.262E-03 0.566540 0.164E-02 0.017511 0.451E-04 409.0065
146 -209.568927 0.264E-03 0.566785 0.164E-02 0.017519 0.456E-04 412.1047
148 -209.568935 0.260E-03 0.566817 0.162E-02 0.017521 0.450E-04 413.7133
149 -209.568973 0.261E-03 0.567028 0.162E-02 0.017528 0.453E-04 415.6426
152 -209.568980 0.257E-03 0.567103 0.158E-02 0.017528 0.449E-04 417.7905
153 -209.568997 0.256E-03 0.567238 0.157E-02 0.017530 0.447E-04 418.9721
155 -209.569018 0.254E-03 0.567395 0.156E-02 0.017532 0.442E-04 422.1397
156 -209.569022 0.252E-03 0.567417 0.155E-02 0.017534 0.440E-04 423.6492
158 -209.569011 0.245E-03 0.567295 0.151E-02 0.017533 0.429E-04 425.8510
160 -209.569044 0.243E-03 0.567435 0.149E-02 0.017540 0.428E-04 428.0558
162 -209.569048 0.244E-03 0.567515 0.150E-02 0.017539 0.426E-04 429.3995
163 -209.569063 0.243E-03 0.567559 0.149E-02 0.017543 0.426E-04 431.7464
167 -209.569083 0.238E-03 0.567732 0.146E-02 0.017545 0.420E-04 433.8256
168 -209.569078 0.237E-03 0.567690 0.146E-02 0.017544 0.417E-04 435.6556
170 -209.569091 0.233E-03 0.567789 0.144E-02 0.017546 0.411E-04 437.5146
171 -209.569073 0.233E-03 0.567682 0.143E-02 0.017543 0.409E-04 439.4080
173 -209.569126 0.235E-03 0.567923 0.144E-02 0.017554 0.415E-04 442.9781
176 -209.569076 0.233E-03 0.567620 0.142E-02 0.017545 0.412E-04 445.5982
178 -209.569120 0.232E-03 0.567799 0.142E-02 0.017555 0.411E-04 446.8820
180 -209.569090 0.231E-03 0.567608 0.141E-02 0.017550 0.409E-04 448.2166
182 -209.569048 0.231E-03 0.567403 0.140E-02 0.017542 0.409E-04 449.8800
184 -209.569044 0.230E-03 0.567355 0.140E-02 0.017542 0.407E-04 452.0638
186 -209.569044 0.228E-03 0.567326 0.138E-02 0.017543 0.403E-04 453.1484
187 -209.569042 0.226E-03 0.567312 0.138E-02 0.017543 0.401E-04 457.5004
193 -209.569045 0.219E-03 0.567310 0.133E-02 0.017543 0.389E-04 459.2933
194 -209.569023 0.219E-03 0.567188 0.133E-02 0.017539 0.389E-04 461.0319
196 -209.569016 0.217E-03 0.567171 0.132E-02 0.017537 0.385E-04 463.0525
198 -209.569021 0.216E-03 0.567203 0.131E-02 0.017538 0.383E-04 464.0529
199 -209.569011 0.215E-03 0.567105 0.131E-02 0.017537 0.381E-04 465.1745
202 -209.569036 0.212E-03 0.567301 0.129E-02 0.017540 0.375E-04 466.4717
203 -209.569032 0.211E-03 0.567291 0.129E-02 0.017539 0.373E-04 467.7036
207 -209.569030 0.207E-03 0.567234 0.126E-02 0.017540 0.367E-04 470.7226
208 -209.569056 0.208E-03 0.567393 0.127E-02 0.017544 0.368E-04 472.3503
213 -209.569129 0.205E-03 0.567812 0.125E-02 0.017558 0.360E-04 473.3653
215 -209.569122 0.203E-03 0.567810 0.124E-02 0.017555 0.357E-04 475.1526
216 -209.569121 0.202E-03 0.567795 0.124E-02 0.017555 0.356E-04 476.5609
218 -209.569118 0.200E-03 0.567775 0.123E-02 0.017555 0.353E-04 478.8635
221 -209.569097 0.199E-03 0.567627 0.122E-02 0.017552 0.350E-04 481.1082
223 -209.569062 0.199E-03 0.567429 0.122E-02 0.017546 0.350E-04 482.7726
226 -209.569145 0.199E-03 0.567996 0.123E-02 0.017558 0.347E-04 484.7522
228 -209.569166 0.198E-03 0.568112 0.122E-02 0.017562 0.347E-04 486.5828
229 -209.569181 0.198E-03 0.568189 0.122E-02 0.017565 0.347E-04 489.4341
231 -209.569235 0.200E-03 0.568502 0.123E-02 0.017574 0.351E-04 491.8745
235 -209.569254 0.201E-03 0.568632 0.123E-02 0.017577 0.352E-04 495.8152
242 -209.569238 0.200E-03 0.568506 0.122E-02 0.017576 0.350E-04 497.3028
245 -209.569228 0.200E-03 0.568407 0.123E-02 0.017575 0.349E-04 500.1967
250 -209.569212 0.192E-03 0.568307 0.117E-02 0.017572 0.338E-04 502.6455
251 -209.569209 0.191E-03 0.568312 0.117E-02 0.017571 0.337E-04 505.1868
254 -209.569205 0.190E-03 0.568246 0.116E-02 0.017572 0.333E-04 506.4864
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
1.757258086357415E-002
-------
.. >>>>> [ RES MEM : 4.094734 GB ] [ VIRT MEM : 15.625946 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 922.907642 s ] [ CPU TIME: 105901.556768 s ] <<<<< ..
* Number of generators 1310718
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 4.094734 GB ] [ VIRT MEM : 15.625946 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 922.934648 s ] [ CPU TIME: 105905.013400 s ] <<<<< ..
* Number of selectors 1310718
* pt2_n_tasks_max 132
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.8696873326484609
Summary at N_det = 1310720
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.47122962
# PT2 -0.09798051 0.00018762
# rPT2 -0.09628847 0.00018438
#
# E+PT2 -209.56921013 0.00018762
# E+rPT2 -209.56751809 0.00018438
# ============ =============================
N_det = 1310720
N_states = 1
* State 1
< S^2 > = 4.635142712033389E-003
E = -209.471229617717
Variance = 0.568274594984237 +/- 1.146312702617492E-003
PT norm = 0.132561611575803 +/- 1.245249197378694E-004
PT2 = -9.798050959357710E-002 +/- 1.876208737890421E-004
rPT2 = -9.628847262219356E-002 +/- 1.843808268003995E-004
E+PT2 = -209.569210127310 +/- 1.876208737890421E-004
E+rPT2 = -209.567518090339 +/- 1.843808268003995E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.257863549394
Vee = 230.244437297830
Vecp = 0.000000000000000E+000
T = 209.266620767195
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.1045 -209.58294406
-0.1133 -209.58544327
-0.1254 -209.58622048
-0.1458 -209.58617918
-0.1794 -209.58507572
-0.2240 -209.58501036
-0.2753 -209.58518217
=========== ===================
* Number of unique alpha determinants 157705
* Number of unique beta determinants 157688
.. >>>>> [ RES MEM : 3.243847 GB ] [ VIRT MEM : 15.063919 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 930.314816 s ] [ CPU TIME: 106762.791407 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) 4.499801702797413
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.4712296177 0.004635 0.203E-02
1 -209.4804989458 0.005070 0.156E-03
2 -209.4806709626 0.005119 0.799E-05
3 -209.4806947059 0.005186 0.110E-05
4 -209.4806978032 0.005209 0.160E-06
5 -209.4806982604 0.005211 0.240E-07
6 -209.4806983291 0.005211 0.392E-08
7 -209.4806983395 0.005211 0.523E-09
8 -209.4806983410 0.005211 0.676E-10
====== ================ =========== ===========
.. >>>>> [ RES MEM : 5.783085 GB ] [ VIRT MEM : 18.621288 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 971.685225 s ] [ CPU TIME: 111353.500407 s ] <<<<< ..
.. >>>>> [ RES MEM : 3.283039 GB ] [ VIRT MEM : 15.097836 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 971.888806 s ] [ CPU TIME: 111372.942001 s ] <<<<< ..
* Energy of state 1 -209.4806983409713
* S^2 of state 1 0.5210582691362020E-02
* Saved determinants 2621440
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 3.052723 GB ] [ VIRT MEM : 14.861465 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 984.267549 s ] [ CPU TIME: 111583.211665 s ] <<<<< ..
* Number of generators 2621438
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 3.094433 GB ] [ VIRT MEM : 14.820278 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 985.070363 s ] [ CPU TIME: 111674.556680 s ] <<<<< ..
* Number of selectors 2621438
* pt2_n_tasks_max 263
* PT2 Energy denominator -209.4806983409713
.. >>>>> [ RES MEM : 3.417698 GB ] [ VIRT MEM : 15.104393 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 985.843167 s ] [ CPU TIME: 111770.534724 s ] <<<<< ..
* Number of generators 2621438
* Number of comb teeth 100
.. >>>>> [ RES MEM : 3.437336 GB ] [ VIRT MEM : 15.125881 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 985.881811 s ] [ CPU TIME: 111775.480609 s ] <<<<< ..
* Number of selectors 2621438
* pt2_n_tasks_max 263
* Number of tasks 3028945
* Number of fragmented tasks 17353
* Number of threads for PT2 128
* Memory (Gb) 36.95198217131198
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.572095 0.226E-02 0.542486 0.140E-01 0.015947 0.390E-03 129.5644
4 -209.571542 0.166E-02 0.537757 0.108E-01 0.015895 0.273E-03 156.2564
5 -209.571978 0.134E-02 0.542256 0.957E-02 0.015923 0.208E-03 185.2244
6 -209.572277 0.111E-02 0.544452 0.792E-02 0.015969 0.174E-03 216.5657
7 -209.572300 0.947E-03 0.543842 0.671E-02 0.015994 0.152E-03 242.1339
8 -209.572400 0.802E-03 0.544471 0.569E-02 0.016012 0.129E-03 270.8934
9 -209.571914 0.865E-03 0.542153 0.554E-02 0.015911 0.154E-03 297.5698
10 -209.571354 0.940E-03 0.538938 0.582E-02 0.015811 0.167E-03 304.4181
11 -209.570915 0.960E-03 0.536332 0.589E-02 0.015740 0.168E-03 312.5477
12 -209.571187 0.917E-03 0.538108 0.566E-02 0.015787 0.160E-03 332.8680
13 -209.570723 0.966E-03 0.535380 0.590E-02 0.015709 0.167E-03 341.0926
14 -209.570846 0.879E-03 0.535048 0.541E-02 0.015761 0.158E-03 363.3912
15 -209.571336 0.958E-03 0.538087 0.591E-02 0.015840 0.167E-03 381.0408
16 -209.571139 0.913E-03 0.536891 0.560E-02 0.015804 0.160E-03 382.1505
17 -209.571196 0.858E-03 0.537467 0.529E-02 0.015807 0.150E-03 386.7675
18 -209.571201 0.809E-03 0.537836 0.500E-02 0.015799 0.141E-03 406.7484
19 -209.571388 0.794E-03 0.538963 0.491E-02 0.015835 0.139E-03 428.8405
20 -209.571072 0.818E-03 0.536806 0.514E-02 0.015787 0.141E-03 450.5684
21 -209.571141 0.781E-03 0.537600 0.495E-02 0.015789 0.134E-03 454.4867
22 -209.571753 0.968E-03 0.540751 0.570E-02 0.015909 0.176E-03 469.0172
23 -209.571947 0.955E-03 0.541805 0.558E-02 0.015945 0.175E-03 471.6908
24 -209.571857 0.918E-03 0.541351 0.536E-02 0.015928 0.168E-03 481.4659
25 -209.571863 0.880E-03 0.541320 0.514E-02 0.015930 0.161E-03 484.9121
26 -209.571689 0.863E-03 0.540209 0.506E-02 0.015900 0.158E-03 489.0748
27 -209.571635 0.832E-03 0.539679 0.490E-02 0.015898 0.152E-03 511.4296
28 -209.571618 0.795E-03 0.539425 0.470E-02 0.015898 0.145E-03 529.5558
29 -209.571715 0.773E-03 0.540035 0.457E-02 0.015912 0.140E-03 552.6420
30 -209.571634 0.751E-03 0.539617 0.444E-02 0.015897 0.136E-03 570.8591
31 -209.571385 0.769E-03 0.538168 0.453E-02 0.015852 0.139E-03 575.0267
32 -209.571342 0.745E-03 0.538078 0.439E-02 0.015841 0.135E-03 595.3659
33 -209.571149 0.740E-03 0.536819 0.436E-02 0.015811 0.134E-03 599.5432
34 -209.571227 0.722E-03 0.537169 0.424E-02 0.015827 0.131E-03 621.9099
35 -209.571086 0.715E-03 0.536282 0.422E-02 0.015805 0.129E-03 630.5912
36 -209.571107 0.703E-03 0.536256 0.415E-02 0.015812 0.127E-03 636.5214
37 -209.571099 0.684E-03 0.536267 0.404E-02 0.015810 0.124E-03 645.3315
38 -209.571154 0.668E-03 0.536755 0.396E-02 0.015815 0.120E-03 649.8871
39 -209.571139 0.651E-03 0.536465 0.387E-02 0.015819 0.117E-03 654.2464
40 -209.571023 0.645E-03 0.535697 0.385E-02 0.015802 0.115E-03 662.3926
41 -209.571028 0.636E-03 0.536161 0.382E-02 0.015791 0.114E-03 681.3317
42 -209.570971 0.624E-03 0.535858 0.374E-02 0.015779 0.112E-03 697.6426
43 -209.571030 0.612E-03 0.536383 0.369E-02 0.015786 0.110E-03 716.8083
45 -209.571228 0.599E-03 0.537595 0.362E-02 0.015819 0.107E-03 722.3292
46 -209.571094 0.601E-03 0.536733 0.365E-02 0.015797 0.107E-03 726.6717
47 -209.571007 0.594E-03 0.536181 0.361E-02 0.015784 0.105E-03 741.2983
48 -209.570951 0.586E-03 0.535976 0.357E-02 0.015770 0.104E-03 749.0578
49 -209.570957 0.574E-03 0.536108 0.350E-02 0.015769 0.101E-03 754.9190
50 -209.570819 0.579E-03 0.535221 0.354E-02 0.015748 0.102E-03 769.2954
51 -209.570781 0.569E-03 0.534955 0.348E-02 0.015743 0.998E-04 772.9940
52 -209.570685 0.566E-03 0.534281 0.348E-02 0.015729 0.988E-04 777.1955
53 -209.570583 0.565E-03 0.533642 0.347E-02 0.015712 0.984E-04 781.8939
54 -209.570528 0.548E-03 0.533314 0.337E-02 0.015702 0.958E-04 790.3577
55 -209.570589 0.542E-03 0.533602 0.332E-02 0.015714 0.948E-04 795.5208
56 -209.570553 0.533E-03 0.533441 0.326E-02 0.015707 0.934E-04 799.9208
57 -209.570586 0.525E-03 0.533647 0.321E-02 0.015713 0.919E-04 801.3733
58 -209.570612 0.516E-03 0.533864 0.316E-02 0.015716 0.904E-04 810.4765
59 -209.570659 0.509E-03 0.534280 0.313E-02 0.015720 0.889E-04 812.3929
60 -209.570597 0.505E-03 0.533961 0.310E-02 0.015708 0.882E-04 815.0664
61 -209.570570 0.492E-03 0.533842 0.302E-02 0.015702 0.856E-04 821.3685
62 -209.570504 0.488E-03 0.533348 0.302E-02 0.015694 0.847E-04 826.3721
63 -209.570474 0.481E-03 0.533067 0.298E-02 0.015691 0.834E-04 833.9334
65 -209.570381 0.473E-03 0.532420 0.293E-02 0.015678 0.818E-04 840.0625
67 -209.570327 0.466E-03 0.531985 0.290E-02 0.015673 0.805E-04 841.5312
68 -209.570287 0.461E-03 0.531619 0.288E-02 0.015670 0.793E-04 851.1893
69 -209.570341 0.453E-03 0.531982 0.283E-02 0.015679 0.776E-04 852.7590
70 -209.570376 0.447E-03 0.532199 0.280E-02 0.015684 0.767E-04 855.9252
71 -209.570343 0.442E-03 0.532007 0.277E-02 0.015678 0.758E-04 865.2164
73 -209.570340 0.433E-03 0.531940 0.271E-02 0.015680 0.743E-04 866.7885
74 -209.570353 0.428E-03 0.531969 0.267E-02 0.015683 0.733E-04 877.8784
76 -209.570331 0.421E-03 0.531679 0.264E-02 0.015683 0.722E-04 886.2690
77 -209.570379 0.419E-03 0.531992 0.262E-02 0.015691 0.717E-04 890.8081
78 -209.570501 0.427E-03 0.532753 0.266E-02 0.015710 0.731E-04 898.8552
79 -209.570655 0.449E-03 0.533608 0.276E-02 0.015739 0.777E-04 903.7769
80 -209.570626 0.444E-03 0.533369 0.274E-02 0.015737 0.767E-04 911.8227
81 -209.570610 0.439E-03 0.533207 0.271E-02 0.015736 0.758E-04 917.2080
83 -209.570596 0.429E-03 0.533125 0.266E-02 0.015733 0.740E-04 919.0636
84 -209.570620 0.424E-03 0.533268 0.263E-02 0.015737 0.733E-04 926.4426
85 -209.570654 0.421E-03 0.533459 0.261E-02 0.015743 0.727E-04 931.7108
87 -209.570956 0.463E-03 0.535360 0.288E-02 0.015792 0.790E-04 940.5445
88 -209.570997 0.459E-03 0.535629 0.286E-02 0.015799 0.784E-04 944.0239
89 -209.571005 0.454E-03 0.535694 0.283E-02 0.015800 0.775E-04 948.5828
90 -209.570974 0.450E-03 0.535572 0.280E-02 0.015793 0.769E-04 950.1002
91 -209.570944 0.446E-03 0.535419 0.277E-02 0.015787 0.763E-04 957.6421
92 -209.570980 0.446E-03 0.535686 0.277E-02 0.015792 0.762E-04 965.3052
95 -209.571086 0.439E-03 0.536301 0.272E-02 0.015810 0.751E-04 970.4101
96 -209.571058 0.435E-03 0.536140 0.270E-02 0.015805 0.745E-04 978.5218
97 -209.571038 0.431E-03 0.536116 0.267E-02 0.015799 0.740E-04 983.5410
98 -209.571046 0.427E-03 0.536132 0.264E-02 0.015801 0.732E-04 986.7362
99 -209.571013 0.424E-03 0.535908 0.263E-02 0.015796 0.727E-04 987.9081
100 -209.571049 0.421E-03 0.536074 0.261E-02 0.015804 0.723E-04 991.9242
101 -209.571047 0.419E-03 0.536078 0.260E-02 0.015803 0.717E-04 994.0770
102 -209.571082 0.416E-03 0.536351 0.259E-02 0.015807 0.711E-04 995.8655
103 -209.571052 0.414E-03 0.536133 0.257E-02 0.015803 0.706E-04 1003.5701
104 -209.571027 0.410E-03 0.536011 0.255E-02 0.015797 0.701E-04 1009.8527
105 -209.571019 0.406E-03 0.535908 0.253E-02 0.015797 0.694E-04 1014.0444
106 -209.571071 0.406E-03 0.536184 0.252E-02 0.015808 0.695E-04 1016.2040
109 -209.571121 0.398E-03 0.536316 0.246E-02 0.015820 0.682E-04 1024.7610
111 -209.571124 0.390E-03 0.536333 0.242E-02 0.015821 0.670E-04 1029.5177
112 -209.571083 0.389E-03 0.536078 0.241E-02 0.015814 0.668E-04 1030.7940
114 -209.571107 0.384E-03 0.536229 0.237E-02 0.015818 0.659E-04 1039.1303
115 -209.571160 0.384E-03 0.536541 0.237E-02 0.015827 0.660E-04 1040.6284
117 -209.571100 0.380E-03 0.536128 0.234E-02 0.015818 0.653E-04 1042.1205
118 -209.571158 0.381E-03 0.536447 0.234E-02 0.015829 0.657E-04 1044.5370
120 -209.571138 0.377E-03 0.536320 0.231E-02 0.015826 0.651E-04 1046.8774
121 -209.571128 0.374E-03 0.536267 0.229E-02 0.015824 0.646E-04 1048.6480
122 -209.571112 0.372E-03 0.536096 0.228E-02 0.015823 0.641E-04 1054.7275
123 -209.571085 0.369E-03 0.535912 0.227E-02 0.015819 0.637E-04 1058.1327
124 -209.571110 0.367E-03 0.536086 0.226E-02 0.015822 0.632E-04 1059.7080
125 -209.571108 0.364E-03 0.536063 0.224E-02 0.015823 0.627E-04 1067.3430
126 -209.571098 0.358E-03 0.535957 0.220E-02 0.015822 0.615E-04 1071.6935
128 -209.571059 0.353E-03 0.535730 0.218E-02 0.015815 0.608E-04 1073.0929
129 -209.571073 0.351E-03 0.535831 0.216E-02 0.015817 0.603E-04 1076.4251
131 -209.571094 0.346E-03 0.535956 0.213E-02 0.015821 0.595E-04 1082.4738
134 -209.571098 0.335E-03 0.535950 0.206E-02 0.015822 0.577E-04 1085.7983
136 -209.571055 0.332E-03 0.535718 0.204E-02 0.015814 0.572E-04 1088.0252
137 -209.571052 0.329E-03 0.535691 0.203E-02 0.015814 0.568E-04 1096.4069
138 -209.571043 0.327E-03 0.535650 0.201E-02 0.015811 0.564E-04 1099.4654
142 -209.571096 0.323E-03 0.536001 0.199E-02 0.015820 0.556E-04 1107.1228
143 -209.571081 0.321E-03 0.535948 0.199E-02 0.015816 0.552E-04 1113.1442
147 -209.571044 0.320E-03 0.535695 0.199E-02 0.015810 0.548E-04 1123.3483
149 -209.570984 0.319E-03 0.535296 0.198E-02 0.015801 0.545E-04 1124.8972
150 -209.570928 0.321E-03 0.534974 0.199E-02 0.015792 0.550E-04 1128.0920
152 -209.570915 0.321E-03 0.534874 0.199E-02 0.015791 0.549E-04 1134.3587
153 -209.570867 0.322E-03 0.534608 0.199E-02 0.015782 0.552E-04 1138.8472
154 -209.570865 0.320E-03 0.534624 0.198E-02 0.015781 0.549E-04 1141.8196
156 -209.570892 0.317E-03 0.534797 0.196E-02 0.015785 0.543E-04 1149.1675
157 -209.570867 0.316E-03 0.534607 0.196E-02 0.015782 0.540E-04 1151.4691
158 -209.570841 0.315E-03 0.534447 0.195E-02 0.015778 0.539E-04 1152.8382
159 -209.570832 0.313E-03 0.534387 0.194E-02 0.015776 0.536E-04 1155.3840
161 -209.570806 0.306E-03 0.534229 0.189E-02 0.015772 0.526E-04 1160.5700
163 -209.570806 0.305E-03 0.534319 0.189E-02 0.015770 0.523E-04 1167.1641
165 -209.570789 0.302E-03 0.534221 0.187E-02 0.015767 0.517E-04 1169.3064
168 -209.570798 0.297E-03 0.534331 0.184E-02 0.015767 0.509E-04 1174.0366
169 -209.570773 0.297E-03 0.534151 0.184E-02 0.015763 0.507E-04 1179.6847
170 -209.570772 0.295E-03 0.534148 0.183E-02 0.015763 0.504E-04 1182.8812
172 -209.570782 0.295E-03 0.534216 0.183E-02 0.015764 0.504E-04 1190.2531
173 -209.570739 0.296E-03 0.533948 0.184E-02 0.015757 0.506E-04 1191.2866
174 -209.570723 0.295E-03 0.533871 0.183E-02 0.015754 0.504E-04 1195.6164
176 -209.570689 0.292E-03 0.533668 0.181E-02 0.015748 0.501E-04 1201.7905
177 -209.570687 0.291E-03 0.533664 0.180E-02 0.015747 0.498E-04 1203.9951
180 -209.570670 0.285E-03 0.533488 0.176E-02 0.015746 0.491E-04 1206.0228
181 -209.570696 0.285E-03 0.533693 0.177E-02 0.015750 0.489E-04 1208.9928
183 -209.570712 0.284E-03 0.533780 0.176E-02 0.015753 0.488E-04 1210.0427
184 -209.570690 0.283E-03 0.533643 0.175E-02 0.015749 0.487E-04 1213.7415
185 -209.570693 0.282E-03 0.533640 0.175E-02 0.015750 0.484E-04 1215.6836
186 -209.570669 0.281E-03 0.533495 0.174E-02 0.015746 0.483E-04 1218.8680
188 -209.570648 0.277E-03 0.533288 0.171E-02 0.015745 0.479E-04 1223.1890
190 -209.570624 0.276E-03 0.533190 0.170E-02 0.015740 0.477E-04 1229.2377
191 -209.570625 0.275E-03 0.533170 0.169E-02 0.015740 0.475E-04 1232.0005
192 -209.570621 0.273E-03 0.533140 0.168E-02 0.015740 0.472E-04 1233.2793
193 -209.570643 0.273E-03 0.533266 0.168E-02 0.015744 0.471E-04 1237.4401
195 -209.570658 0.272E-03 0.533426 0.167E-02 0.015744 0.470E-04 1241.1716
196 -209.570650 0.271E-03 0.533374 0.166E-02 0.015743 0.468E-04 1243.3621
197 -209.570629 0.270E-03 0.533239 0.166E-02 0.015739 0.467E-04 1246.8173
199 -209.570644 0.269E-03 0.533304 0.165E-02 0.015743 0.465E-04 1250.0246
201 -209.570651 0.267E-03 0.533337 0.164E-02 0.015744 0.462E-04 1251.1779
203 -209.570639 0.266E-03 0.533273 0.163E-02 0.015741 0.460E-04 1254.6493
204 -209.570675 0.267E-03 0.533450 0.163E-02 0.015749 0.463E-04 1257.7099
207 -209.570657 0.264E-03 0.533305 0.161E-02 0.015747 0.459E-04 1264.3427
210 -209.570615 0.262E-03 0.533067 0.160E-02 0.015739 0.455E-04 1265.4820
213 -209.570619 0.259E-03 0.533077 0.157E-02 0.015740 0.451E-04 1267.9079
215 -209.570603 0.257E-03 0.532979 0.156E-02 0.015737 0.447E-04 1273.5390
216 -209.570618 0.256E-03 0.533084 0.156E-02 0.015740 0.445E-04 1277.0041
217 -209.570606 0.255E-03 0.533019 0.155E-02 0.015737 0.444E-04 1279.5352
218 -209.570589 0.254E-03 0.532914 0.155E-02 0.015735 0.443E-04 1281.6961
220 -209.570556 0.253E-03 0.532714 0.154E-02 0.015729 0.441E-04 1284.2488
221 -209.570551 0.251E-03 0.532673 0.153E-02 0.015729 0.437E-04 1288.4776
224 -209.570500 0.250E-03 0.532405 0.152E-02 0.015719 0.435E-04 1293.3496
226 -209.570517 0.248E-03 0.532486 0.151E-02 0.015723 0.433E-04 1295.3728
227 -209.570516 0.247E-03 0.532496 0.150E-02 0.015722 0.431E-04 1297.7548
228 -209.570538 0.247E-03 0.532637 0.150E-02 0.015725 0.430E-04 1300.6340
229 -209.570542 0.246E-03 0.532645 0.149E-02 0.015726 0.429E-04 1302.4935
230 -209.570538 0.244E-03 0.532632 0.149E-02 0.015725 0.427E-04 1305.9944
231 -209.570558 0.244E-03 0.532778 0.149E-02 0.015728 0.426E-04 1309.0237
232 -209.570590 0.245E-03 0.532956 0.149E-02 0.015734 0.428E-04 1310.9418
233 -209.570601 0.245E-03 0.533027 0.149E-02 0.015736 0.427E-04 1312.0150
234 -209.570633 0.243E-03 0.533215 0.147E-02 0.015741 0.426E-04 1314.6118
235 -209.570621 0.242E-03 0.533140 0.146E-02 0.015739 0.424E-04 1315.7760
237 -209.570599 0.241E-03 0.533040 0.145E-02 0.015734 0.422E-04 1319.3048
239 -209.570595 0.240E-03 0.533013 0.145E-02 0.015734 0.421E-04 1321.9857
242 -209.570568 0.238E-03 0.532886 0.144E-02 0.015728 0.417E-04 1325.4881
244 -209.570549 0.237E-03 0.532784 0.143E-02 0.015725 0.415E-04 1329.5752
247 -209.570559 0.234E-03 0.532808 0.141E-02 0.015727 0.410E-04 1334.7917
250 -209.570527 0.233E-03 0.532627 0.141E-02 0.015722 0.408E-04 1337.9909
251 -209.570535 0.232E-03 0.532667 0.140E-02 0.015723 0.407E-04 1347.6453
255 -209.570535 0.230E-03 0.532675 0.139E-02 0.015723 0.403E-04 1348.6988
257 -209.570513 0.229E-03 0.532560 0.138E-02 0.015719 0.401E-04 1351.2387
258 -209.570522 0.228E-03 0.532600 0.137E-02 0.015721 0.400E-04 1353.9541
259 -209.570533 0.228E-03 0.532650 0.137E-02 0.015723 0.399E-04 1357.5387
260 -209.570519 0.227E-03 0.532578 0.137E-02 0.015720 0.398E-04 1359.7124
263 -209.570518 0.225E-03 0.532564 0.135E-02 0.015721 0.396E-04 1363.5747
264 -209.570520 0.224E-03 0.532593 0.135E-02 0.015721 0.395E-04 1365.9719
265 -209.570520 0.223E-03 0.532602 0.134E-02 0.015720 0.393E-04 1367.7057
266 -209.570511 0.223E-03 0.532557 0.134E-02 0.015719 0.392E-04 1369.6103
268 -209.570502 0.220E-03 0.532499 0.132E-02 0.015717 0.388E-04 1373.3035
270 -209.570513 0.219E-03 0.532583 0.132E-02 0.015718 0.385E-04 1377.3925
272 -209.570534 0.218E-03 0.532695 0.131E-02 0.015722 0.383E-04 1380.6879
275 -209.570531 0.219E-03 0.532681 0.132E-02 0.015722 0.384E-04 1383.2242
276 -209.570526 0.218E-03 0.532673 0.131E-02 0.015720 0.383E-04 1387.1552
277 -209.570523 0.217E-03 0.532655 0.131E-02 0.015720 0.382E-04 1390.2445
279 -209.570511 0.216E-03 0.532588 0.130E-02 0.015718 0.380E-04 1391.9595
281 -209.570510 0.216E-03 0.532587 0.130E-02 0.015717 0.380E-04 1396.9287
284 -209.570539 0.215E-03 0.532747 0.129E-02 0.015723 0.377E-04 1398.5780
286 -209.570537 0.215E-03 0.532716 0.129E-02 0.015723 0.377E-04 1399.9550
287 -209.570556 0.215E-03 0.532810 0.129E-02 0.015727 0.378E-04 1402.3975
288 -209.570562 0.214E-03 0.532872 0.129E-02 0.015727 0.377E-04 1404.6800
289 -209.570561 0.214E-03 0.532861 0.128E-02 0.015727 0.375E-04 1406.1632
291 -209.570558 0.213E-03 0.532834 0.128E-02 0.015727 0.373E-04 1407.6897
292 -209.570559 0.212E-03 0.532863 0.128E-02 0.015726 0.372E-04 1409.9896
293 -209.570576 0.211E-03 0.532929 0.127E-02 0.015730 0.370E-04 1413.6066
294 -209.570570 0.211E-03 0.532880 0.127E-02 0.015730 0.369E-04 1416.0515
296 -209.570548 0.210E-03 0.532744 0.127E-02 0.015726 0.368E-04 1418.6834
297 -209.570547 0.209E-03 0.532737 0.126E-02 0.015726 0.367E-04 1422.1178
299 -209.570549 0.209E-03 0.532722 0.126E-02 0.015727 0.365E-04 1424.0474
302 -209.570535 0.207E-03 0.532624 0.125E-02 0.015725 0.362E-04 1427.0081
303 -209.570530 0.206E-03 0.532579 0.124E-02 0.015724 0.361E-04 1429.5858
305 -209.570547 0.205E-03 0.532671 0.124E-02 0.015727 0.360E-04 1433.2384
307 -209.570527 0.205E-03 0.532556 0.123E-02 0.015724 0.358E-04 1437.1756
310 -209.570531 0.204E-03 0.532646 0.123E-02 0.015723 0.357E-04 1440.3988
311 -209.570529 0.203E-03 0.532652 0.122E-02 0.015722 0.356E-04 1442.7197
312 -209.570533 0.202E-03 0.532681 0.122E-02 0.015722 0.355E-04 1446.9542
313 -209.570540 0.202E-03 0.532730 0.122E-02 0.015723 0.354E-04 1449.6369
317 -209.570522 0.200E-03 0.532637 0.120E-02 0.015720 0.351E-04 1453.9037
320 -209.570502 0.199E-03 0.532517 0.120E-02 0.015717 0.349E-04 1456.0870
321 -209.570501 0.198E-03 0.532503 0.119E-02 0.015716 0.347E-04 1458.2065
322 -209.570486 0.198E-03 0.532439 0.119E-02 0.015713 0.348E-04 1460.5247
324 -209.570470 0.197E-03 0.532362 0.119E-02 0.015710 0.347E-04 1462.4579
325 -209.570473 0.197E-03 0.532408 0.118E-02 0.015710 0.345E-04 1463.9679
328 -209.570485 0.195E-03 0.532515 0.117E-02 0.015711 0.345E-04 1467.8611
329 -209.570476 0.195E-03 0.532507 0.117E-02 0.015709 0.344E-04 1469.6603
330 -209.570467 0.195E-03 0.532451 0.117E-02 0.015707 0.344E-04 1471.1711
331 -209.570475 0.194E-03 0.532476 0.116E-02 0.015709 0.343E-04 1473.6466
335 -209.570516 0.193E-03 0.532743 0.116E-02 0.015715 0.341E-04 1476.4267
337 -209.570543 0.193E-03 0.532910 0.116E-02 0.015720 0.341E-04 1479.8282
342 -209.570524 0.191E-03 0.532817 0.114E-02 0.015716 0.338E-04 1481.4144
343 -209.570518 0.190E-03 0.532782 0.114E-02 0.015715 0.337E-04 1482.6734
344 -209.570525 0.190E-03 0.532839 0.114E-02 0.015716 0.336E-04 1484.7041
346 -209.570531 0.189E-03 0.532887 0.113E-02 0.015716 0.334E-04 1487.4202
347 -209.570526 0.189E-03 0.532853 0.113E-02 0.015716 0.333E-04 1489.4331
350 -209.570518 0.187E-03 0.532802 0.112E-02 0.015714 0.331E-04 1493.2802
351 -209.570510 0.187E-03 0.532735 0.112E-02 0.015713 0.330E-04 1495.1945
353 -209.570510 0.186E-03 0.532737 0.111E-02 0.015713 0.329E-04 1498.2148
356 -209.570505 0.185E-03 0.532701 0.111E-02 0.015712 0.327E-04 1500.6991
358 -209.570481 0.184E-03 0.532630 0.110E-02 0.015707 0.325E-04 1502.8476
360 -209.570496 0.185E-03 0.532691 0.110E-02 0.015710 0.326E-04 1506.8957
361 -209.570491 0.184E-03 0.532670 0.110E-02 0.015709 0.325E-04 1508.7383
363 -209.570489 0.183E-03 0.532680 0.110E-02 0.015708 0.324E-04 1511.3377
364 -209.570481 0.183E-03 0.532637 0.109E-02 0.015706 0.323E-04 1514.3743
367 -209.570464 0.183E-03 0.532555 0.109E-02 0.015703 0.323E-04 1516.1259
371 -209.570430 0.182E-03 0.532368 0.109E-02 0.015696 0.321E-04 1523.4989
373 -209.570424 0.182E-03 0.532355 0.109E-02 0.015695 0.321E-04 1524.6514
374 -209.570441 0.182E-03 0.532441 0.109E-02 0.015698 0.321E-04 1529.1021
379 -209.570447 0.180E-03 0.532489 0.107E-02 0.015699 0.317E-04 1533.7578
380 -209.570452 0.179E-03 0.532523 0.107E-02 0.015700 0.317E-04 1536.9278
381 -209.570441 0.179E-03 0.532448 0.107E-02 0.015698 0.316E-04 1541.9618
387 -209.570460 0.178E-03 0.532544 0.106E-02 0.015701 0.315E-04 1543.7923
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
1.570087300298365E-002
-------
.. >>>>> [ RES MEM : 4.407246 GB ] [ VIRT MEM : 16.063309 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2541.279306 s ] [ CPU TIME: 309286.006952 s ] <<<<< ..
* Number of generators 2621438
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 4.446209 GB ] [ VIRT MEM : 16.106285 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2541.338411 s ] [ CPU TIME: 309293.572340 s ] <<<<< ..
* Number of selectors 2621438
* pt2_n_tasks_max 263
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.8806506976552556
Summary at N_det = 2621440
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.48069834
# PT2 -0.08976052 0.00017765
# rPT2 -0.08837298 0.00017491
#
# E+PT2 -209.57045886 0.00017765
# E+rPT2 -209.56907132 0.00017491
# ============ =============================
N_det = 2621440
N_states = 1
* State 1
< S^2 > = 5.210582691362020E-003
E = -209.480698340971
Variance = 0.532552049883012 +/- 1.060633581602081E-003
PT norm = 0.125303124474147 +/- 1.253218261933295E-004
PT2 = -8.976051520198898E-002 +/- 1.776514725995697E-004
rPT2 = -8.837298223108379E-002 +/- 1.749053065932019E-004
E+PT2 = -209.570458856173 +/- 1.776514725995697E-004
E+rPT2 = -209.569071323202 +/- 1.749053065932019E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.264970752789
Vee = 230.222175101445
Vecp = 0.000000000000000E+000
T = 209.286521443721
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.0963 -209.58641249
-0.1045 -209.58473056
-0.1133 -209.58549996
-0.1254 -209.58600340
-0.1458 -209.58606156
-0.1794 -209.58519872
-0.2240 -209.58509996
=========== ===================
* Number of unique alpha determinants 254006
* Number of unique beta determinants 254019
.. >>>>> [ RES MEM : 5.239002 GB ] [ VIRT MEM : 17.572899 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2557.616731 s ] [ CPU TIME: 311111.514828 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) 8.677222535014153
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.4806983410 0.005211 0.201E-02
1 -209.4902650090 0.005481 0.224E-03
2 -209.4904540788 0.005536 0.109E-04
3 -209.4904828834 0.005586 0.103E-05
4 -209.4904858854 0.005607 0.166E-06
5 -209.4904863600 0.005606 0.250E-07
6 -209.4904864324 0.005604 0.447E-08
7 -209.4904864451 0.005603 0.807E-09
8 -209.4904864474 0.005602 0.140E-09
9 -209.4904864478 0.005602 0.237E-10
====== ================ =========== ===========
.. >>>>> [ RES MEM : 10.019135 GB ] [ VIRT MEM : 24.110180 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2667.885773 s ] [ CPU TIME: 323321.701743 s ] <<<<< ..
.. >>>>> [ RES MEM : 4.784714 GB ] [ VIRT MEM : 17.063290 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2668.327872 s ] [ CPU TIME: 323336.908977 s ] <<<<< ..
* Energy of state 1 -209.4904864478360
* S^2 of state 1 0.5601584348250005E-02
* Saved determinants 5242880
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 4.768520 GB ] [ VIRT MEM : 17.063290 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2693.856287 s ] [ CPU TIME: 323684.429872 s ] <<<<< ..
* Number of generators 5242876
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 4.882488 GB ] [ VIRT MEM : 17.173759 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2695.437700 s ] [ CPU TIME: 323831.910530 s ] <<<<< ..
* Number of selectors 5242876
* pt2_n_tasks_max 525
* PT2 Energy denominator -209.4904864478360
.. >>>>> [ RES MEM : 5.549931 GB ] [ VIRT MEM : 17.876717 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2697.269909 s ] [ CPU TIME: 324058.035782 s ] <<<<< ..
* Number of generators 5242876
* Number of comb teeth 100
.. >>>>> [ RES MEM : 5.551033 GB ] [ VIRT MEM : 17.876717 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 2697.346914 s ] [ CPU TIME: 324062.234966 s ] <<<<< ..
* Number of selectors 5242876
* pt2_n_tasks_max 525
* Number of tasks 5909689
* Number of fragmented tasks 17669
* Number of threads for PT2 128
* Memory (Gb) 37.25519716188312
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.575843 0.220E-02 0.517863 0.135E-01 0.014587 0.404E-03 302.7876
4 -209.574963 0.174E-02 0.515044 0.940E-02 0.014375 0.354E-03 380.3685
5 -209.572768 0.269E-02 0.500309 0.173E-01 0.014041 0.445E-03 450.1929
6 -209.571905 0.236E-02 0.496135 0.147E-01 0.013865 0.404E-03 522.8301
7 -209.571618 0.199E-02 0.494587 0.124E-01 0.013811 0.341E-03 583.9749
8 -209.570986 0.183E-02 0.490945 0.112E-01 0.013695 0.317E-03 648.6936
9 -209.570638 0.165E-02 0.489208 0.100E-01 0.013624 0.289E-03 716.4527
10 -209.570452 0.148E-02 0.488777 0.895E-02 0.013575 0.262E-03 731.7239
11 -209.570472 0.134E-02 0.487909 0.812E-02 0.013604 0.238E-03 743.3743
12 -209.570192 0.125E-02 0.486445 0.754E-02 0.013552 0.223E-03 788.8353
13 -209.570697 0.127E-02 0.489613 0.767E-02 0.013636 0.224E-03 812.9507
14 -209.570780 0.117E-02 0.489741 0.709E-02 0.013658 0.208E-03 872.5364
15 -209.570648 0.110E-02 0.488878 0.662E-02 0.013637 0.195E-03 910.9080
17 -209.570769 0.971E-03 0.489583 0.586E-02 0.013654 0.173E-03 929.8492
18 -209.570708 0.917E-03 0.489205 0.553E-02 0.013643 0.163E-03 960.8286
19 -209.570472 0.894E-03 0.488109 0.532E-02 0.013595 0.161E-03 1019.7439
20 -209.570757 0.896E-03 0.489477 0.523E-02 0.013651 0.163E-03 1068.4140
21 -209.570754 0.851E-03 0.489570 0.498E-02 0.013648 0.155E-03 1077.3236
22 -209.570848 0.817E-03 0.489945 0.476E-02 0.013669 0.149E-03 1107.2198
23 -209.570762 0.788E-03 0.489419 0.459E-02 0.013654 0.144E-03 1127.5469
24 -209.570936 0.774E-03 0.490495 0.453E-02 0.013682 0.141E-03 1162.2129
25 -209.571351 0.853E-03 0.492992 0.502E-02 0.013754 0.153E-03 1185.5012
26 -209.571556 0.845E-03 0.493943 0.492E-02 0.013796 0.153E-03 1188.1197
27 -209.571465 0.818E-03 0.493521 0.475E-02 0.013778 0.148E-03 1238.4339
28 -209.571343 0.801E-03 0.492958 0.463E-02 0.013753 0.146E-03 1286.7673
29 -209.571521 0.793E-03 0.493933 0.457E-02 0.013784 0.144E-03 1341.1110
30 -209.571412 0.774E-03 0.493284 0.446E-02 0.013766 0.141E-03 1376.3080
31 -209.571265 0.763E-03 0.492311 0.443E-02 0.013744 0.138E-03 1390.4576
32 -209.571194 0.742E-03 0.491679 0.433E-02 0.013737 0.133E-03 1440.1467
33 -209.571155 0.722E-03 0.491518 0.423E-02 0.013729 0.129E-03 1455.8152
34 -209.571097 0.703E-03 0.490945 0.414E-02 0.013725 0.126E-03 1508.4876
35 -209.571152 0.685E-03 0.491245 0.403E-02 0.013735 0.122E-03 1528.7104
36 -209.571189 0.666E-03 0.491311 0.392E-02 0.013746 0.119E-03 1546.5988
37 -209.571180 0.647E-03 0.491123 0.381E-02 0.013748 0.116E-03 1560.5718
38 -209.571019 0.650E-03 0.490103 0.385E-02 0.013721 0.116E-03 1569.0126
39 -209.571239 0.671E-03 0.491238 0.392E-02 0.013764 0.120E-03 1591.2612
40 -209.571491 0.701E-03 0.492470 0.402E-02 0.013813 0.127E-03 1611.0226
41 -209.571529 0.684E-03 0.492493 0.391E-02 0.013826 0.125E-03 1653.1196
42 -209.571568 0.668E-03 0.492660 0.382E-02 0.013834 0.122E-03 1692.4775
43 -209.571607 0.654E-03 0.492839 0.373E-02 0.013843 0.119E-03 1728.9100
44 -209.571808 0.670E-03 0.493808 0.378E-02 0.013883 0.123E-03 1739.2465
45 -209.571781 0.655E-03 0.493717 0.371E-02 0.013876 0.120E-03 1761.2937
46 -209.571858 0.645E-03 0.494235 0.366E-02 0.013889 0.118E-03 1767.1502
47 -209.572060 0.663E-03 0.495578 0.383E-02 0.013920 0.120E-03 1807.7644
48 -209.572054 0.648E-03 0.495533 0.373E-02 0.013919 0.117E-03 1819.9161
49 -209.572031 0.635E-03 0.495397 0.365E-02 0.013916 0.115E-03 1834.9242
50 -209.572151 0.633E-03 0.496181 0.367E-02 0.013935 0.114E-03 1861.7691
51 -209.572194 0.622E-03 0.496401 0.360E-02 0.013944 0.112E-03 1880.2344
52 -209.572163 0.608E-03 0.496077 0.351E-02 0.013941 0.110E-03 1899.8938
53 -209.572327 0.618E-03 0.497167 0.361E-02 0.013966 0.111E-03 1907.7533
54 -209.572414 0.613E-03 0.497837 0.361E-02 0.013977 0.109E-03 1925.1697
55 -209.572531 0.613E-03 0.498395 0.359E-02 0.014002 0.110E-03 1939.6457
56 -209.572498 0.603E-03 0.498227 0.352E-02 0.013994 0.108E-03 1944.3672
57 -209.572527 0.591E-03 0.498328 0.344E-02 0.014000 0.107E-03 1945.8612
58 -209.572534 0.581E-03 0.498329 0.338E-02 0.014003 0.105E-03 1972.6756
59 -209.572510 0.571E-03 0.498084 0.333E-02 0.014002 0.103E-03 1975.7391
60 -209.572513 0.562E-03 0.498130 0.328E-02 0.014001 0.101E-03 1983.4711
61 -209.572434 0.558E-03 0.497718 0.325E-02 0.013986 0.101E-03 2004.2984
62 -209.572467 0.550E-03 0.497909 0.320E-02 0.013991 0.992E-04 2013.8685
63 -209.572450 0.540E-03 0.497875 0.314E-02 0.013986 0.976E-04 2034.6982
64 -209.572497 0.534E-03 0.498082 0.310E-02 0.013997 0.966E-04 2038.0063
65 -209.572417 0.532E-03 0.497592 0.309E-02 0.013983 0.960E-04 2047.5863
66 -209.572570 0.546E-03 0.498410 0.315E-02 0.014012 0.988E-04 2051.6241
67 -209.572602 0.538E-03 0.498433 0.310E-02 0.014022 0.978E-04 2063.4853
68 -209.572618 0.531E-03 0.498514 0.306E-02 0.014025 0.964E-04 2076.0359
69 -209.572532 0.530E-03 0.497934 0.307E-02 0.014011 0.959E-04 2092.3368
70 -209.572530 0.521E-03 0.497973 0.303E-02 0.014010 0.940E-04 2094.2302
71 -209.572485 0.516E-03 0.497697 0.300E-02 0.014003 0.930E-04 2113.3646
72 -209.572523 0.510E-03 0.497938 0.296E-02 0.014009 0.919E-04 2124.4008
73 -209.572549 0.503E-03 0.498030 0.292E-02 0.014014 0.908E-04 2128.2774
74 -209.572531 0.497E-03 0.497881 0.289E-02 0.014012 0.893E-04 2156.5789
75 -209.572549 0.490E-03 0.497987 0.286E-02 0.014015 0.881E-04 2163.6033
76 -209.572524 0.484E-03 0.497839 0.282E-02 0.014011 0.871E-04 2168.0096
77 -209.572518 0.478E-03 0.497786 0.279E-02 0.014011 0.859E-04 2184.9915
78 -209.572572 0.475E-03 0.498151 0.277E-02 0.014019 0.852E-04 2198.7974
79 -209.572570 0.469E-03 0.498139 0.274E-02 0.014018 0.841E-04 2203.1379
80 -209.572475 0.473E-03 0.497469 0.279E-02 0.014005 0.841E-04 2223.5950
82 -209.572444 0.465E-03 0.497245 0.274E-02 0.013999 0.826E-04 2243.8168
83 -209.572390 0.462E-03 0.496849 0.274E-02 0.013991 0.820E-04 2247.6434
84 -209.572332 0.460E-03 0.496496 0.273E-02 0.013982 0.816E-04 2261.7944
85 -209.572336 0.455E-03 0.496546 0.270E-02 0.013982 0.806E-04 2267.8066
86 -209.572437 0.461E-03 0.497221 0.275E-02 0.013998 0.812E-04 2284.9565
87 -209.572486 0.459E-03 0.497520 0.274E-02 0.014005 0.806E-04 2302.9639
88 -209.572411 0.460E-03 0.497081 0.274E-02 0.013992 0.808E-04 2307.7010
89 -209.572324 0.463E-03 0.496511 0.277E-02 0.013978 0.811E-04 2319.0709
90 -209.572380 0.461E-03 0.496885 0.277E-02 0.013986 0.806E-04 2326.3608
91 -209.572350 0.457E-03 0.496709 0.274E-02 0.013981 0.799E-04 2349.3415
92 -209.572343 0.452E-03 0.496662 0.271E-02 0.013980 0.790E-04 2352.2617
93 -209.572304 0.447E-03 0.496483 0.268E-02 0.013972 0.782E-04 2368.6336
95 -209.572265 0.443E-03 0.496193 0.266E-02 0.013966 0.773E-04 2385.3716
96 -209.572320 0.442E-03 0.496524 0.265E-02 0.013975 0.770E-04 2390.4374
97 -209.572331 0.437E-03 0.496519 0.262E-02 0.013979 0.763E-04 2406.5811
98 -209.572328 0.433E-03 0.496631 0.260E-02 0.013975 0.757E-04 2408.6584
100 -209.572309 0.426E-03 0.496482 0.256E-02 0.013972 0.744E-04 2429.1324
101 -209.572323 0.424E-03 0.496658 0.256E-02 0.013972 0.740E-04 2433.0638
103 -209.572335 0.416E-03 0.496786 0.251E-02 0.013973 0.725E-04 2446.0257
104 -209.572279 0.416E-03 0.496407 0.251E-02 0.013964 0.724E-04 2455.7706
105 -209.572256 0.412E-03 0.496236 0.249E-02 0.013961 0.717E-04 2462.6582
106 -209.572254 0.408E-03 0.496085 0.247E-02 0.013965 0.711E-04 2464.4101
107 -209.572272 0.405E-03 0.496212 0.245E-02 0.013968 0.705E-04 2472.4339
109 -209.572336 0.400E-03 0.496701 0.243E-02 0.013975 0.696E-04 2482.8250
110 -209.572354 0.397E-03 0.496872 0.242E-02 0.013977 0.690E-04 2484.5947
111 -209.572357 0.394E-03 0.496957 0.240E-02 0.013975 0.684E-04 2500.0199
112 -209.572328 0.392E-03 0.496851 0.239E-02 0.013969 0.681E-04 2504.0020
113 -209.572276 0.392E-03 0.496539 0.239E-02 0.013960 0.680E-04 2511.4810
114 -209.572298 0.390E-03 0.496645 0.237E-02 0.013964 0.676E-04 2516.7014
115 -209.572291 0.386E-03 0.496641 0.235E-02 0.013962 0.670E-04 2530.8501
116 -209.572354 0.388E-03 0.497013 0.236E-02 0.013973 0.673E-04 2533.0708
117 -209.572287 0.390E-03 0.496505 0.239E-02 0.013965 0.672E-04 2534.6283
118 -209.572288 0.387E-03 0.496518 0.237E-02 0.013965 0.667E-04 2538.3016
119 -209.572279 0.384E-03 0.496475 0.235E-02 0.013963 0.661E-04 2539.7918
120 -209.572276 0.381E-03 0.496492 0.233E-02 0.013961 0.656E-04 2558.1577
121 -209.572286 0.378E-03 0.496602 0.232E-02 0.013962 0.651E-04 2559.5152
122 -209.572253 0.376E-03 0.496339 0.231E-02 0.013958 0.646E-04 2564.5037
123 -209.572225 0.374E-03 0.496171 0.230E-02 0.013953 0.643E-04 2571.8787
124 -209.572202 0.367E-03 0.495938 0.226E-02 0.013952 0.633E-04 2590.4475
125 -209.572237 0.366E-03 0.496159 0.225E-02 0.013958 0.630E-04 2591.9669
126 -209.572244 0.363E-03 0.496230 0.223E-02 0.013958 0.625E-04 2613.6583
127 -209.572227 0.361E-03 0.496121 0.222E-02 0.013955 0.621E-04 2618.3964
129 -209.572210 0.355E-03 0.496065 0.218E-02 0.013951 0.612E-04 2623.8995
131 -209.572227 0.352E-03 0.496044 0.216E-02 0.013958 0.608E-04 2641.2271
132 -209.572225 0.349E-03 0.496020 0.215E-02 0.013957 0.603E-04 2646.2945
135 -209.572257 0.349E-03 0.496319 0.215E-02 0.013960 0.601E-04 2650.8568
136 -209.572273 0.346E-03 0.496472 0.214E-02 0.013961 0.597E-04 2667.8332
137 -209.572271 0.344E-03 0.496468 0.212E-02 0.013960 0.592E-04 2674.4972
138 -209.572266 0.344E-03 0.496464 0.211E-02 0.013959 0.593E-04 2679.8610
139 -209.572304 0.343E-03 0.496686 0.211E-02 0.013965 0.593E-04 2693.9940
141 -209.572284 0.339E-03 0.496576 0.208E-02 0.013961 0.585E-04 2700.9221
143 -209.572298 0.335E-03 0.496628 0.206E-02 0.013965 0.578E-04 2719.9487
144 -209.572258 0.335E-03 0.496375 0.206E-02 0.013958 0.577E-04 2724.9999
145 -209.572280 0.333E-03 0.496475 0.205E-02 0.013963 0.575E-04 2728.0375
147 -209.572211 0.332E-03 0.496176 0.204E-02 0.013948 0.575E-04 2749.5122
148 -209.572200 0.330E-03 0.496055 0.203E-02 0.013948 0.571E-04 2752.0216
149 -209.572192 0.328E-03 0.496003 0.201E-02 0.013946 0.567E-04 2755.0615
150 -209.572150 0.329E-03 0.495750 0.202E-02 0.013939 0.568E-04 2758.3701
151 -209.572124 0.327E-03 0.495598 0.201E-02 0.013935 0.566E-04 2769.9088
152 -209.572140 0.326E-03 0.495751 0.200E-02 0.013936 0.563E-04 2781.7651
153 -209.572143 0.324E-03 0.495813 0.199E-02 0.013935 0.559E-04 2786.1430
154 -209.572184 0.324E-03 0.496070 0.199E-02 0.013942 0.560E-04 2801.0993
155 -209.572149 0.325E-03 0.495823 0.200E-02 0.013938 0.562E-04 2809.1152
156 -209.572104 0.326E-03 0.495520 0.201E-02 0.013931 0.562E-04 2813.3766
157 -209.572101 0.324E-03 0.495486 0.200E-02 0.013931 0.559E-04 2824.1660
158 -209.572124 0.323E-03 0.495646 0.199E-02 0.013934 0.556E-04 2832.1492
159 -209.572153 0.322E-03 0.495877 0.199E-02 0.013937 0.554E-04 2836.6359
160 -209.572155 0.320E-03 0.495939 0.198E-02 0.013936 0.550E-04 2839.7938
161 -209.572131 0.319E-03 0.495784 0.198E-02 0.013932 0.548E-04 2851.2339
162 -209.572173 0.320E-03 0.496070 0.198E-02 0.013939 0.549E-04 2855.7693
163 -209.572164 0.318E-03 0.495999 0.197E-02 0.013937 0.545E-04 2864.0933
165 -209.572083 0.324E-03 0.495437 0.201E-02 0.013925 0.555E-04 2869.3854
167 -209.571992 0.326E-03 0.494895 0.202E-02 0.013910 0.559E-04 2884.3760
168 -209.571977 0.325E-03 0.494828 0.201E-02 0.013907 0.556E-04 2891.0245
169 -209.571931 0.326E-03 0.494538 0.202E-02 0.013899 0.558E-04 2894.3969
170 -209.571992 0.330E-03 0.494876 0.204E-02 0.013910 0.565E-04 2911.7673
171 -209.571993 0.328E-03 0.494880 0.202E-02 0.013911 0.562E-04 2918.1445
172 -209.571977 0.326E-03 0.494796 0.201E-02 0.013907 0.560E-04 2921.1073
173 -209.572040 0.331E-03 0.495196 0.204E-02 0.013918 0.566E-04 2927.9500
174 -209.572061 0.329E-03 0.495296 0.203E-02 0.013922 0.564E-04 2939.8649
175 -209.572031 0.329E-03 0.495137 0.203E-02 0.013916 0.564E-04 2946.1954
176 -209.572040 0.327E-03 0.495279 0.202E-02 0.013915 0.559E-04 2948.2619
177 -209.571999 0.327E-03 0.495026 0.202E-02 0.013908 0.560E-04 2965.7473
181 -209.571988 0.325E-03 0.494884 0.201E-02 0.013909 0.555E-04 2973.8627
182 -209.571988 0.323E-03 0.494870 0.200E-02 0.013909 0.552E-04 2989.2139
184 -209.571978 0.320E-03 0.494788 0.198E-02 0.013907 0.546E-04 2990.9581
185 -209.571960 0.319E-03 0.494631 0.197E-02 0.013905 0.544E-04 2994.0230
186 -209.571944 0.317E-03 0.494578 0.196E-02 0.013902 0.542E-04 3001.4001
188 -209.571909 0.315E-03 0.494324 0.195E-02 0.013896 0.537E-04 3005.2721
189 -209.571932 0.314E-03 0.494471 0.194E-02 0.013900 0.535E-04 3017.7106
190 -209.571932 0.312E-03 0.494433 0.193E-02 0.013901 0.533E-04 3027.8114
192 -209.571934 0.311E-03 0.494449 0.193E-02 0.013901 0.530E-04 3031.0698
193 -209.571957 0.310E-03 0.494614 0.193E-02 0.013904 0.528E-04 3045.2427
194 -209.571972 0.309E-03 0.494672 0.192E-02 0.013908 0.527E-04 3056.4866
197 -209.571942 0.306E-03 0.494506 0.190E-02 0.013902 0.521E-04 3071.4440
198 -209.571973 0.306E-03 0.494655 0.189E-02 0.013909 0.522E-04 3078.0041
199 -209.571967 0.304E-03 0.494608 0.188E-02 0.013908 0.520E-04 3080.8638
201 -209.571974 0.303E-03 0.494646 0.188E-02 0.013909 0.517E-04 3083.7240
203 -209.571958 0.301E-03 0.494545 0.187E-02 0.013906 0.514E-04 3098.6504
204 -209.571973 0.299E-03 0.494617 0.185E-02 0.013910 0.510E-04 3100.4182
205 -209.571974 0.298E-03 0.494602 0.184E-02 0.013910 0.508E-04 3105.5253
206 -209.571986 0.296E-03 0.494682 0.183E-02 0.013912 0.506E-04 3108.3663
207 -209.571986 0.295E-03 0.494642 0.183E-02 0.013913 0.503E-04 3117.0757
210 -209.571960 0.297E-03 0.494482 0.183E-02 0.013909 0.509E-04 3126.5927
211 -209.571952 0.296E-03 0.494424 0.182E-02 0.013907 0.506E-04 3127.8394
213 -209.571958 0.294E-03 0.494492 0.181E-02 0.013908 0.503E-04 3133.5373
214 -209.571951 0.293E-03 0.494473 0.180E-02 0.013906 0.501E-04 3137.5759
215 -209.571924 0.292E-03 0.494315 0.180E-02 0.013901 0.501E-04 3143.4192
216 -209.571884 0.294E-03 0.494066 0.181E-02 0.013895 0.503E-04 3158.3053
217 -209.571851 0.294E-03 0.493858 0.181E-02 0.013889 0.503E-04 3164.4265
219 -209.571814 0.291E-03 0.493627 0.179E-02 0.013884 0.500E-04 3172.6790
221 -209.571827 0.291E-03 0.493717 0.179E-02 0.013886 0.499E-04 3185.5295
222 -209.571818 0.290E-03 0.493658 0.179E-02 0.013884 0.497E-04 3189.3972
224 -209.571805 0.289E-03 0.493559 0.178E-02 0.013882 0.495E-04 3192.1147
226 -209.571817 0.288E-03 0.493645 0.177E-02 0.013884 0.492E-04 3198.7172
227 -209.571815 0.286E-03 0.493618 0.177E-02 0.013884 0.490E-04 3212.5441
228 -209.571859 0.288E-03 0.493889 0.178E-02 0.013891 0.493E-04 3219.8853
229 -209.571865 0.287E-03 0.493918 0.177E-02 0.013892 0.491E-04 3224.3701
231 -209.571856 0.285E-03 0.493835 0.176E-02 0.013892 0.488E-04 3240.8214
232 -209.571840 0.284E-03 0.493777 0.175E-02 0.013888 0.487E-04 3247.5874
234 -209.571835 0.282E-03 0.493790 0.174E-02 0.013886 0.483E-04 3250.6287
235 -209.571826 0.281E-03 0.493776 0.173E-02 0.013884 0.482E-04 3261.7798
236 -209.571805 0.281E-03 0.493668 0.173E-02 0.013880 0.481E-04 3263.8946
237 -209.571789 0.280E-03 0.493590 0.172E-02 0.013876 0.480E-04 3267.9935
239 -209.571784 0.278E-03 0.493575 0.171E-02 0.013875 0.477E-04 3272.0525
240 -209.571769 0.277E-03 0.493476 0.170E-02 0.013873 0.475E-04 3273.6813
241 -209.571749 0.277E-03 0.493337 0.170E-02 0.013870 0.474E-04 3274.7641
243 -209.571779 0.275E-03 0.493474 0.169E-02 0.013876 0.473E-04 3278.1799
244 -209.571743 0.277E-03 0.493245 0.170E-02 0.013870 0.474E-04 3295.3211
245 -209.571748 0.276E-03 0.493308 0.170E-02 0.013870 0.472E-04 3300.0703
247 -209.571769 0.274E-03 0.493444 0.168E-02 0.013874 0.470E-04 3302.4797
248 -209.571765 0.273E-03 0.493427 0.168E-02 0.013873 0.468E-04 3305.8682
250 -209.571799 0.271E-03 0.493654 0.166E-02 0.013878 0.465E-04 3317.8043
251 -209.571785 0.270E-03 0.493598 0.165E-02 0.013875 0.464E-04 3328.4546
252 -209.571787 0.269E-03 0.493586 0.165E-02 0.013875 0.463E-04 3332.6992
255 -209.571802 0.266E-03 0.493722 0.163E-02 0.013877 0.459E-04 3345.7775
256 -209.571819 0.266E-03 0.493791 0.163E-02 0.013881 0.458E-04 3349.0574
257 -209.571826 0.265E-03 0.493831 0.162E-02 0.013882 0.457E-04 3356.1420
258 -209.571814 0.264E-03 0.493757 0.162E-02 0.013880 0.456E-04 3360.0608
259 -209.571800 0.264E-03 0.493680 0.161E-02 0.013877 0.454E-04 3370.3172
260 -209.571806 0.263E-03 0.493704 0.161E-02 0.013879 0.453E-04 3376.5848
263 -209.571827 0.261E-03 0.493822 0.160E-02 0.013883 0.451E-04 3386.7110
265 -209.571804 0.258E-03 0.493777 0.157E-02 0.013876 0.446E-04 3398.0475
266 -209.571791 0.257E-03 0.493731 0.157E-02 0.013873 0.446E-04 3404.0795
267 -209.571793 0.256E-03 0.493711 0.156E-02 0.013874 0.444E-04 3411.0749
268 -209.571800 0.255E-03 0.493780 0.156E-02 0.013875 0.442E-04 3413.7307
270 -209.571797 0.256E-03 0.493744 0.156E-02 0.013875 0.445E-04 3424.8186
271 -209.571775 0.256E-03 0.493608 0.156E-02 0.013871 0.444E-04 3430.9869
272 -209.571765 0.255E-03 0.493569 0.155E-02 0.013869 0.443E-04 3438.2196
273 -209.571765 0.254E-03 0.493559 0.155E-02 0.013869 0.442E-04 3439.9685
276 -209.571736 0.253E-03 0.493361 0.154E-02 0.013865 0.439E-04 3452.4306
277 -209.571741 0.253E-03 0.493441 0.154E-02 0.013864 0.441E-04 3458.3103
280 -209.571714 0.251E-03 0.493346 0.152E-02 0.013858 0.437E-04 3466.2796
284 -209.571708 0.248E-03 0.493286 0.150E-02 0.013857 0.432E-04 3482.8443
286 -209.571687 0.247E-03 0.493131 0.150E-02 0.013855 0.430E-04 3486.5389
287 -209.571678 0.246E-03 0.493075 0.150E-02 0.013853 0.429E-04 3490.9815
288 -209.571657 0.246E-03 0.492938 0.150E-02 0.013850 0.428E-04 3494.0072
290 -209.571671 0.245E-03 0.493062 0.149E-02 0.013851 0.426E-04 3506.7464
292 -209.571624 0.243E-03 0.492828 0.148E-02 0.013842 0.423E-04 3514.3072
293 -209.571634 0.243E-03 0.492878 0.147E-02 0.013844 0.422E-04 3521.6463
296 -209.571626 0.240E-03 0.492847 0.146E-02 0.013843 0.419E-04 3534.1316
297 -209.571603 0.241E-03 0.492697 0.146E-02 0.013839 0.419E-04 3537.4682
298 -209.571621 0.241E-03 0.492806 0.146E-02 0.013842 0.419E-04 3545.1922
299 -209.571619 0.240E-03 0.492806 0.146E-02 0.013841 0.418E-04 3548.4702
302 -209.571606 0.239E-03 0.492734 0.145E-02 0.013839 0.416E-04 3562.9130
304 -209.571619 0.238E-03 0.492777 0.145E-02 0.013842 0.414E-04 3564.8478
305 -209.571618 0.237E-03 0.492780 0.144E-02 0.013841 0.412E-04 3568.7330
306 -209.571622 0.236E-03 0.492811 0.144E-02 0.013842 0.411E-04 3575.7730
308 -209.571611 0.235E-03 0.492730 0.143E-02 0.013840 0.409E-04 3590.6501
310 -209.571624 0.234E-03 0.492802 0.142E-02 0.013843 0.407E-04 3596.5287
311 -209.571635 0.232E-03 0.492878 0.141E-02 0.013844 0.402E-04 3603.7978
313 -209.571632 0.231E-03 0.492868 0.141E-02 0.013844 0.401E-04 3614.0651
315 -209.571667 0.233E-03 0.493054 0.141E-02 0.013850 0.405E-04 3617.4362
316 -209.571664 0.232E-03 0.493036 0.141E-02 0.013850 0.403E-04 3623.5534
317 -209.571655 0.232E-03 0.492987 0.141E-02 0.013848 0.402E-04 3631.6265
320 -209.571645 0.230E-03 0.492918 0.140E-02 0.013847 0.400E-04 3641.0291
322 -209.571674 0.230E-03 0.493111 0.140E-02 0.013851 0.399E-04 3650.3245
323 -209.571677 0.229E-03 0.493130 0.139E-02 0.013852 0.398E-04 3652.4420
324 -209.571699 0.230E-03 0.493249 0.140E-02 0.013856 0.399E-04 3654.3162
325 -209.571709 0.229E-03 0.493319 0.139E-02 0.013857 0.398E-04 3659.1679
328 -209.571672 0.227E-03 0.493093 0.138E-02 0.013851 0.394E-04 3668.0831
329 -209.571680 0.226E-03 0.493147 0.137E-02 0.013852 0.393E-04 3674.0573
330 -209.571672 0.226E-03 0.493101 0.137E-02 0.013851 0.392E-04 3678.1579
331 -209.571684 0.225E-03 0.493167 0.137E-02 0.013853 0.392E-04 3684.0016
332 -209.571678 0.225E-03 0.493148 0.136E-02 0.013852 0.391E-04 3686.3836
336 -209.571655 0.223E-03 0.493006 0.135E-02 0.013848 0.387E-04 3694.4350
339 -209.571643 0.222E-03 0.492946 0.135E-02 0.013846 0.386E-04 3698.1156
340 -209.571644 0.221E-03 0.492940 0.134E-02 0.013846 0.385E-04 3701.9427
342 -209.571663 0.221E-03 0.493042 0.134E-02 0.013850 0.384E-04 3711.9289
343 -209.571680 0.220E-03 0.493133 0.134E-02 0.013853 0.384E-04 3713.9539
346 -209.571658 0.219E-03 0.493017 0.133E-02 0.013849 0.382E-04 3725.3298
347 -209.571658 0.219E-03 0.492997 0.132E-02 0.013849 0.381E-04 3733.5028
348 -209.571661 0.218E-03 0.493029 0.132E-02 0.013849 0.380E-04 3735.3488
349 -209.571668 0.218E-03 0.493082 0.132E-02 0.013850 0.379E-04 3738.6164
350 -209.571680 0.217E-03 0.493147 0.132E-02 0.013852 0.379E-04 3740.8974
351 -209.571680 0.217E-03 0.493135 0.131E-02 0.013853 0.378E-04 3749.4374
352 -209.571688 0.216E-03 0.493200 0.131E-02 0.013854 0.377E-04 3752.8504
355 -209.571667 0.215E-03 0.493110 0.130E-02 0.013849 0.375E-04 3755.1977
356 -209.571653 0.215E-03 0.493023 0.130E-02 0.013847 0.374E-04 3760.8298
357 -209.571657 0.214E-03 0.493057 0.130E-02 0.013847 0.373E-04 3766.8007
358 -209.571647 0.214E-03 0.493004 0.130E-02 0.013845 0.372E-04 3767.8069
360 -209.571658 0.213E-03 0.493098 0.129E-02 0.013847 0.371E-04 3776.1184
361 -209.571668 0.212E-03 0.493134 0.129E-02 0.013849 0.371E-04 3787.6761
362 -209.571658 0.212E-03 0.493084 0.128E-02 0.013847 0.370E-04 3789.0773
363 -209.571658 0.211E-03 0.493090 0.128E-02 0.013847 0.369E-04 3794.0224
365 -209.571641 0.211E-03 0.492982 0.128E-02 0.013844 0.368E-04 3795.7393
367 -209.571626 0.210E-03 0.492886 0.127E-02 0.013841 0.366E-04 3803.5888
369 -209.571609 0.209E-03 0.492779 0.127E-02 0.013839 0.365E-04 3809.1364
371 -209.571625 0.209E-03 0.492868 0.126E-02 0.013841 0.364E-04 3820.1890
372 -209.571633 0.208E-03 0.492890 0.126E-02 0.013844 0.364E-04 3822.0719
374 -209.571633 0.208E-03 0.492907 0.126E-02 0.013843 0.363E-04 3829.6497
375 -209.571647 0.208E-03 0.493004 0.126E-02 0.013845 0.362E-04 3835.3222
378 -209.571658 0.206E-03 0.493138 0.125E-02 0.013845 0.359E-04 3843.7993
379 -209.571654 0.206E-03 0.493124 0.125E-02 0.013844 0.358E-04 3849.4843
380 -209.571651 0.205E-03 0.493111 0.125E-02 0.013844 0.357E-04 3856.2911
382 -209.571670 0.205E-03 0.493220 0.125E-02 0.013847 0.357E-04 3862.1746
384 -209.571674 0.204E-03 0.493235 0.124E-02 0.013848 0.355E-04 3874.1572
385 -209.571697 0.205E-03 0.493394 0.125E-02 0.013852 0.356E-04 3875.8308
386 -209.571679 0.205E-03 0.493279 0.125E-02 0.013849 0.357E-04 3883.6510
388 -209.571667 0.205E-03 0.493203 0.125E-02 0.013847 0.356E-04 3889.2187
389 -209.571668 0.204E-03 0.493190 0.124E-02 0.013847 0.355E-04 3897.1586
390 -209.571659 0.204E-03 0.493130 0.124E-02 0.013846 0.354E-04 3898.1986
392 -209.571684 0.205E-03 0.493285 0.124E-02 0.013850 0.355E-04 3901.3664
393 -209.571680 0.204E-03 0.493273 0.124E-02 0.013849 0.354E-04 3904.9236
394 -209.571672 0.204E-03 0.493242 0.124E-02 0.013847 0.354E-04 3910.7713
395 -209.571694 0.205E-03 0.493390 0.124E-02 0.013851 0.354E-04 3915.5564
398 -209.571676 0.203E-03 0.493298 0.124E-02 0.013847 0.353E-04 3924.8779
400 -209.571697 0.203E-03 0.493405 0.124E-02 0.013851 0.352E-04 3928.2463
401 -209.571686 0.203E-03 0.493338 0.124E-02 0.013849 0.352E-04 3930.6929
403 -209.571696 0.203E-03 0.493364 0.123E-02 0.013852 0.352E-04 3937.6441
404 -209.571670 0.203E-03 0.493187 0.123E-02 0.013848 0.351E-04 3942.5220
406 -209.571658 0.202E-03 0.493109 0.123E-02 0.013846 0.350E-04 3953.2622
407 -209.571656 0.201E-03 0.493092 0.123E-02 0.013846 0.349E-04 3955.2310
409 -209.571665 0.201E-03 0.493178 0.122E-02 0.013847 0.347E-04 3957.3931
411 -209.571670 0.200E-03 0.493215 0.122E-02 0.013848 0.346E-04 3964.5535
412 -209.571673 0.199E-03 0.493227 0.121E-02 0.013848 0.345E-04 3969.8251
415 -209.571670 0.198E-03 0.493200 0.121E-02 0.013848 0.342E-04 3978.2753
416 -209.571679 0.198E-03 0.493260 0.120E-02 0.013849 0.342E-04 3983.2473
418 -209.571694 0.197E-03 0.493323 0.120E-02 0.013852 0.342E-04 3984.5862
420 -209.571730 0.198E-03 0.493553 0.121E-02 0.013858 0.343E-04 3991.4747
421 -209.571729 0.198E-03 0.493546 0.120E-02 0.013858 0.342E-04 3996.5891
423 -209.571713 0.197E-03 0.493451 0.120E-02 0.013855 0.341E-04 4005.8116
424 -209.571708 0.197E-03 0.493412 0.120E-02 0.013855 0.340E-04 4011.5652
427 -209.571736 0.197E-03 0.493586 0.120E-02 0.013859 0.341E-04 4018.1514
430 -209.571705 0.197E-03 0.493409 0.120E-02 0.013854 0.340E-04 4023.2747
432 -209.571699 0.194E-03 0.493399 0.118E-02 0.013852 0.336E-04 4039.8040
438 -209.571657 0.193E-03 0.493129 0.118E-02 0.013845 0.333E-04 4044.6430
439 -209.571653 0.193E-03 0.493091 0.117E-02 0.013845 0.333E-04 4050.6689
441 -209.571650 0.192E-03 0.493066 0.117E-02 0.013845 0.331E-04 4061.8656
442 -209.571645 0.192E-03 0.493031 0.117E-02 0.013844 0.331E-04 4065.7888
443 -209.571639 0.191E-03 0.493003 0.117E-02 0.013843 0.330E-04 4067.8084
446 -209.571657 0.191E-03 0.493121 0.116E-02 0.013846 0.330E-04 4071.8135
450 -209.571658 0.189E-03 0.493136 0.115E-02 0.013845 0.327E-04 4076.7181
452 -209.571668 0.189E-03 0.493194 0.115E-02 0.013847 0.327E-04 4089.2387
454 -209.571685 0.189E-03 0.493314 0.115E-02 0.013850 0.326E-04 4093.6174
455 -209.571678 0.188E-03 0.493275 0.115E-02 0.013848 0.326E-04 4098.2608
457 -209.571691 0.187E-03 0.493391 0.114E-02 0.013850 0.323E-04 4104.2105
462 -209.571675 0.185E-03 0.493263 0.113E-02 0.013848 0.321E-04 4114.7505
463 -209.571690 0.186E-03 0.493365 0.113E-02 0.013850 0.321E-04 4116.7673
467 -209.571668 0.185E-03 0.493246 0.112E-02 0.013846 0.319E-04 4123.4067
469 -209.571651 0.184E-03 0.493143 0.112E-02 0.013843 0.318E-04 4127.4759
473 -209.571643 0.184E-03 0.493096 0.112E-02 0.013842 0.318E-04 4131.1543
475 -209.571648 0.183E-03 0.493123 0.112E-02 0.013843 0.317E-04 4136.3789
476 -209.571659 0.183E-03 0.493210 0.112E-02 0.013844 0.316E-04 4143.6614
477 -209.571652 0.183E-03 0.493154 0.112E-02 0.013843 0.316E-04 4147.8618
481 -209.571666 0.182E-03 0.493275 0.112E-02 0.013844 0.314E-04 4153.8270
482 -209.571673 0.182E-03 0.493308 0.111E-02 0.013846 0.314E-04 4157.1753
484 -209.571663 0.181E-03 0.493253 0.111E-02 0.013844 0.313E-04 4158.6526
485 -209.571660 0.181E-03 0.493230 0.111E-02 0.013844 0.312E-04 4171.2675
487 -209.571638 0.181E-03 0.493079 0.111E-02 0.013841 0.312E-04 4178.7309
489 -209.571634 0.180E-03 0.493081 0.111E-02 0.013839 0.310E-04 4184.0302
490 -209.571636 0.180E-03 0.493098 0.110E-02 0.013840 0.310E-04 4185.3187
492 -209.571636 0.179E-03 0.493098 0.110E-02 0.013839 0.309E-04 4186.8358
493 -209.571631 0.179E-03 0.493071 0.110E-02 0.013838 0.308E-04 4198.7164
494 -209.571635 0.179E-03 0.493116 0.110E-02 0.013839 0.308E-04 4201.8387
495 -209.571644 0.179E-03 0.493171 0.110E-02 0.013840 0.307E-04 4204.9637
496 -209.571645 0.178E-03 0.493172 0.109E-02 0.013840 0.307E-04 4206.7847
497 -209.571644 0.178E-03 0.493183 0.109E-02 0.013840 0.306E-04 4211.5897
503 -209.571657 0.177E-03 0.493231 0.108E-02 0.013843 0.305E-04 4213.1911
505 -209.571641 0.177E-03 0.493128 0.108E-02 0.013840 0.305E-04 4223.2598
506 -209.571658 0.177E-03 0.493235 0.109E-02 0.013843 0.306E-04 4225.4234
507 -209.571665 0.177E-03 0.493286 0.108E-02 0.013844 0.305E-04 4229.3341
510 -209.571691 0.177E-03 0.493456 0.108E-02 0.013848 0.304E-04 4234.2643
512 -209.571691 0.176E-03 0.493447 0.108E-02 0.013848 0.303E-04 4236.4818
513 -209.571688 0.176E-03 0.493434 0.108E-02 0.013848 0.303E-04 4237.9710
518 -209.571689 0.174E-03 0.493437 0.107E-02 0.013848 0.300E-04 4241.7636
519 -209.571690 0.174E-03 0.493500 0.107E-02 0.013846 0.300E-04 4251.5655
521 -209.571686 0.174E-03 0.493472 0.107E-02 0.013846 0.299E-04 4258.6884
524 -209.571695 0.173E-03 0.493549 0.106E-02 0.013847 0.298E-04 4260.0795
526 -209.571711 0.173E-03 0.493645 0.106E-02 0.013849 0.298E-04 4263.9931
531 -209.571700 0.173E-03 0.493599 0.106E-02 0.013847 0.297E-04 4276.9844
532 -209.571688 0.173E-03 0.493525 0.106E-02 0.013845 0.297E-04 4279.0790
534 -209.571692 0.172E-03 0.493556 0.106E-02 0.013846 0.296E-04 4286.0776
535 -209.571692 0.172E-03 0.493556 0.106E-02 0.013845 0.296E-04 4288.0039
536 -209.571688 0.172E-03 0.493538 0.105E-02 0.013845 0.295E-04 4292.9755
541 -209.571676 0.171E-03 0.493469 0.105E-02 0.013842 0.294E-04 4303.8331
542 -209.571687 0.171E-03 0.493530 0.105E-02 0.013844 0.294E-04 4305.9479
544 -209.571689 0.171E-03 0.493538 0.105E-02 0.013845 0.294E-04 4314.2146
545 -209.571695 0.171E-03 0.493574 0.105E-02 0.013846 0.294E-04 4317.7270
547 -209.571686 0.170E-03 0.493524 0.104E-02 0.013844 0.293E-04 4319.4339
551 -209.571671 0.170E-03 0.493447 0.104E-02 0.013841 0.291E-04 4331.4081
552 -209.571684 0.170E-03 0.493529 0.104E-02 0.013843 0.291E-04 4332.8975
553 -209.571685 0.169E-03 0.493532 0.104E-02 0.013844 0.291E-04 4336.1556
554 -209.571684 0.169E-03 0.493522 0.104E-02 0.013843 0.290E-04 4340.7239
556 -209.571682 0.169E-03 0.493516 0.103E-02 0.013843 0.290E-04 4344.6860
557 -209.571672 0.169E-03 0.493456 0.103E-02 0.013841 0.290E-04 4346.3889
559 -209.571660 0.168E-03 0.493396 0.103E-02 0.013839 0.289E-04 4357.4857
560 -209.571659 0.168E-03 0.493394 0.103E-02 0.013839 0.289E-04 4360.4388
562 -209.571670 0.168E-03 0.493449 0.103E-02 0.013841 0.289E-04 4362.9446
563 -209.571681 0.168E-03 0.493504 0.103E-02 0.013843 0.289E-04 4368.8731
564 -209.571677 0.168E-03 0.493484 0.103E-02 0.013842 0.289E-04 4371.2067
565 -209.571670 0.168E-03 0.493447 0.103E-02 0.013841 0.289E-04 4373.1940
567 -209.571674 0.167E-03 0.493465 0.102E-02 0.013842 0.288E-04 4375.4024
568 -209.571696 0.168E-03 0.493594 0.103E-02 0.013845 0.290E-04 4387.6468
569 -209.571718 0.170E-03 0.493729 0.104E-02 0.013849 0.292E-04 4390.2165
570 -209.571715 0.169E-03 0.493697 0.104E-02 0.013849 0.291E-04 4393.8549
571 -209.571712 0.169E-03 0.493700 0.103E-02 0.013848 0.291E-04 4395.3972
573 -209.571706 0.169E-03 0.493668 0.103E-02 0.013847 0.290E-04 4400.2880
577 -209.571720 0.168E-03 0.493751 0.103E-02 0.013849 0.289E-04 4413.0850
578 -209.571717 0.168E-03 0.493724 0.102E-02 0.013849 0.288E-04 4414.7652
579 -209.571715 0.167E-03 0.493717 0.102E-02 0.013849 0.288E-04 4418.4997
582 -209.571727 0.167E-03 0.493789 0.102E-02 0.013851 0.287E-04 4420.4753
583 -209.571728 0.166E-03 0.493793 0.102E-02 0.013851 0.286E-04 4422.0027
584 -209.571722 0.166E-03 0.493748 0.102E-02 0.013850 0.286E-04 4427.8698
587 -209.571726 0.166E-03 0.493766 0.101E-02 0.013851 0.285E-04 4430.4427
588 -209.571726 0.166E-03 0.493767 0.101E-02 0.013851 0.285E-04 4438.7525
589 -209.571722 0.165E-03 0.493749 0.101E-02 0.013850 0.284E-04 4439.9372
590 -209.571710 0.165E-03 0.493679 0.101E-02 0.013848 0.285E-04 4441.1310
591 -209.571702 0.164E-03 0.493588 0.100E-02 0.013847 0.283E-04 4444.4299
593 -209.571700 0.164E-03 0.493580 0.100E-02 0.013847 0.282E-04 4449.3663
594 -209.571699 0.164E-03 0.493570 0.100E-02 0.013847 0.282E-04 4452.1452
595 -209.571704 0.163E-03 0.493611 0.999E-03 0.013848 0.281E-04 4455.1011
601 -209.571677 0.162E-03 0.493456 0.993E-03 0.013843 0.280E-04 4468.3758
602 -209.571682 0.162E-03 0.493497 0.992E-03 0.013844 0.279E-04 4471.4154
603 -209.571680 0.162E-03 0.493488 0.990E-03 0.013843 0.279E-04 4481.1960
611 -209.571673 0.160E-03 0.493446 0.981E-03 0.013842 0.276E-04 4485.4359
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
1.384173858601197E-002
-------
.. >>>>> [ RES MEM : 9.474766 GB ] [ VIRT MEM : 21.446800 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7204.441393 s ] [ CPU TIME: 896697.198715 s ] <<<<< ..
* Number of generators 5242876
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 9.398449 GB ] [ VIRT MEM : 21.368668 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7204.558365 s ] [ CPU TIME: 896697.547557 s ] <<<<< ..
* Number of selectors 5242876
* pt2_n_tasks_max 525
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.8920710710403331
Summary at N_det = 5242880
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.49048645
# PT2 -0.08118624 0.00016049
# rPT2 -0.08007782 0.00015830
#
# E+PT2 -209.57167269 0.00016049
# E+rPT2 -209.57056427 0.00015830
# ============ =============================
N_det = 5242880
N_states = 1
* State 1
< S^2 > = 5.601584348250005E-003
E = -209.490486447836
Variance = 0.493445908397561 +/- 9.814788625815412E-004
PT norm = 0.117650918339008 +/- 1.172848694430123E-004
PT2 = -8.118623960825400E-002 +/- 1.604920486258620E-004
rPT2 = -8.007782331144019E-002 +/- 1.583008891009928E-004
E+PT2 = -209.571672687444 +/- 1.604920486258620E-004
E+rPT2 = -209.570564271147 +/- 1.583008891009928E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.274047428969
Vee = 230.200241310172
Vecp = 0.000000000000000E+000
T = 209.307743804309
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.0884 -209.58497654
-0.0963 -209.58562823
-0.1045 -209.58497970
-0.1133 -209.58538661
-0.1254 -209.58577271
-0.1458 -209.58590009
-0.1794 -209.58524733
=========== ===================
* Number of unique alpha determinants 415574
* Number of unique beta determinants 415451
.. >>>>> [ RES MEM : 7.111008 GB ] [ VIRT MEM : 19.862839 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7260.244746 s ] [ CPU TIME: 902624.447900 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) 16.86896407231688
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.4904864478 0.005602 0.201E-02
1 -209.5004456516 0.005659 0.252E-03
2 -209.5006501716 0.005684 0.869E-05
3 -209.5006779020 0.005731 0.105E-05
4 -209.5006810911 0.005747 0.164E-06
5 -209.5006815777 0.005743 0.258E-07
6 -209.5006816552 0.005739 0.503E-08
7 -209.5006816701 0.005738 0.109E-08
8 -209.5006816733 0.005737 0.206E-09
9 -209.5006816739 0.005737 0.363E-10
====== ================ =========== ===========
.. >>>>> [ RES MEM : 17.517490 GB ] [ VIRT MEM : 33.870659 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7630.043868 s ] [ CPU TIME: 942902.919181 s ] <<<<< ..
.. >>>>> [ RES MEM : 6.970558 GB ] [ VIRT MEM : 19.690952 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7631.008180 s ] [ CPU TIME: 942911.914844 s ] <<<<< ..
* Energy of state 1 -209.5006816738988
* S^2 of state 1 0.5736636123383850E-02
* Saved determinants 10485760
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 6.961815 GB ] [ VIRT MEM : 19.690952 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7681.763926 s ] [ CPU TIME: 943474.458593 s ] <<<<< ..
* Number of generators 10485750
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 6.748627 GB ] [ VIRT MEM : 18.836967 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7685.407638 s ] [ CPU TIME: 943724.536861 s ] <<<<< ..
* Number of selectors 10485750
* pt2_n_tasks_max 638
* PT2 Energy denominator -209.5006816738988
.. >>>>> [ RES MEM : 8.386765 GB ] [ VIRT MEM : 20.610424 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7690.312620 s ] [ CPU TIME: 944233.712198 s ] <<<<< ..
* Number of generators 10485750
* Number of comb teeth 100
.. >>>>> [ RES MEM : 8.386765 GB ] [ VIRT MEM : 20.610424 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 7690.525046 s ] [ CPU TIME: 944233.924511 s ] <<<<< ..
* Number of selectors 10485750
* pt2_n_tasks_max 638
* Number of tasks 11278807
* Number of fragmented tasks 18000
* Number of threads for PT2 128
* Memory (Gb) 37.83437053300440
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.575600 0.135E-02 0.465548 0.527E-02 0.012450 0.315E-03 618.3948
4 -209.577057 0.184E-02 0.474248 0.102E-01 0.012707 0.353E-03 770.9312
5 -209.575418 0.224E-02 0.465008 0.126E-01 0.012417 0.409E-03 917.2177
6 -209.574782 0.192E-02 0.460652 0.111E-01 0.012319 0.346E-03 1070.4137
7 -209.576012 0.206E-02 0.467606 0.118E-01 0.012540 0.370E-03 1181.6225
8 -209.575593 0.182E-02 0.464947 0.104E-01 0.012479 0.325E-03 1321.3020
9 -209.575064 0.169E-02 0.461879 0.970E-02 0.012387 0.301E-03 1465.5505
10 -209.574293 0.170E-02 0.457140 0.993E-02 0.012261 0.298E-03 1483.4188
11 -209.574228 0.154E-02 0.456443 0.898E-02 0.012257 0.269E-03 1501.4361
12 -209.573814 0.146E-02 0.453532 0.870E-02 0.012197 0.253E-03 1594.3007
13 -209.573504 0.138E-02 0.452035 0.814E-02 0.012136 0.240E-03 1641.7264
14 -209.574403 0.157E-02 0.457188 0.916E-02 0.012297 0.276E-03 1757.4340
15 -209.573993 0.152E-02 0.455252 0.874E-02 0.012214 0.270E-03 1839.6703
16 -209.573718 0.145E-02 0.454124 0.826E-02 0.012158 0.259E-03 1841.7439
17 -209.573497 0.137E-02 0.452991 0.784E-02 0.012114 0.247E-03 1872.9226
18 -209.573326 0.131E-02 0.451687 0.750E-02 0.012092 0.233E-03 1956.0820
19 -209.573800 0.132E-02 0.454687 0.771E-02 0.012168 0.233E-03 2067.9900
20 -209.573916 0.126E-02 0.455283 0.733E-02 0.012193 0.222E-03 2180.2875
21 -209.573540 0.126E-02 0.452825 0.740E-02 0.012134 0.220E-03 2188.8251
22 -209.573486 0.120E-02 0.452794 0.705E-02 0.012116 0.210E-03 2241.5263
23 -209.573259 0.117E-02 0.451284 0.690E-02 0.012081 0.204E-03 2273.2936
24 -209.573361 0.112E-02 0.451543 0.661E-02 0.012108 0.197E-03 2339.0081
25 -209.573577 0.110E-02 0.452853 0.647E-02 0.012145 0.192E-03 2387.1861
26 -209.573433 0.106E-02 0.452245 0.624E-02 0.012114 0.187E-03 2392.6133
27 -209.573212 0.105E-02 0.450861 0.617E-02 0.012079 0.184E-03 2497.6142
28 -209.573245 0.101E-02 0.450607 0.595E-02 0.012098 0.178E-03 2588.7128
29 -209.573211 0.972E-03 0.450356 0.574E-02 0.012093 0.171E-03 2689.8279
30 -209.573352 0.949E-03 0.451382 0.564E-02 0.012114 0.167E-03 2773.3447
31 -209.573394 0.919E-03 0.451845 0.547E-02 0.012115 0.161E-03 2797.4641
32 -209.573333 0.892E-03 0.451608 0.530E-02 0.012101 0.157E-03 2900.0108
33 -209.573201 0.874E-03 0.450994 0.518E-02 0.012074 0.154E-03 2936.0118
34 -209.573137 0.851E-03 0.450621 0.504E-02 0.012062 0.150E-03 3035.5109
35 -209.573085 0.827E-03 0.450229 0.491E-02 0.012055 0.146E-03 3065.7715
36 -209.573384 0.859E-03 0.452162 0.515E-02 0.012102 0.149E-03 3107.0055
37 -209.573442 0.840E-03 0.452715 0.506E-02 0.012107 0.146E-03 3146.8589
38 -209.573503 0.820E-03 0.453329 0.496E-02 0.012111 0.142E-03 3153.6105
39 -209.573550 0.800E-03 0.453669 0.484E-02 0.012118 0.139E-03 3176.1995
40 -209.573534 0.780E-03 0.453671 0.472E-02 0.012113 0.135E-03 3207.1949
41 -209.573334 0.786E-03 0.452476 0.476E-02 0.012079 0.136E-03 3284.3374
42 -209.573257 0.772E-03 0.452091 0.466E-02 0.012065 0.134E-03 3371.2170
43 -209.573352 0.760E-03 0.452436 0.456E-02 0.012086 0.133E-03 3461.6158
44 -209.573374 0.743E-03 0.452633 0.446E-02 0.012087 0.130E-03 3472.5609
45 -209.573376 0.728E-03 0.452701 0.437E-02 0.012087 0.127E-03 3503.3067
46 -209.573364 0.712E-03 0.452722 0.428E-02 0.012082 0.124E-03 3510.6533
47 -209.573405 0.698E-03 0.452807 0.419E-02 0.012094 0.122E-03 3592.6233
48 -209.573552 0.701E-03 0.453975 0.427E-02 0.012112 0.121E-03 3628.6499
49 -209.573497 0.688E-03 0.453488 0.421E-02 0.012106 0.119E-03 3644.8977
50 -209.573568 0.678E-03 0.453821 0.414E-02 0.012120 0.117E-03 3690.5484
51 -209.573631 0.666E-03 0.454285 0.408E-02 0.012128 0.115E-03 3721.0965
52 -209.573534 0.661E-03 0.453507 0.408E-02 0.012116 0.113E-03 3757.9775
53 -209.573531 0.648E-03 0.453499 0.400E-02 0.012115 0.111E-03 3765.9805
54 -209.573505 0.639E-03 0.453306 0.395E-02 0.012112 0.109E-03 3815.0810
55 -209.573428 0.632E-03 0.452797 0.391E-02 0.012100 0.108E-03 3828.0580
56 -209.573480 0.623E-03 0.453336 0.388E-02 0.012103 0.106E-03 3847.6066
57 -209.573553 0.616E-03 0.453662 0.382E-02 0.012118 0.105E-03 3851.0134
58 -209.573441 0.616E-03 0.452977 0.382E-02 0.012100 0.105E-03 3892.4140
59 -209.573397 0.606E-03 0.452694 0.376E-02 0.012093 0.104E-03 3893.5641
60 -209.573485 0.602E-03 0.453146 0.372E-02 0.012110 0.103E-03 3924.0462
61 -209.573439 0.594E-03 0.452874 0.367E-02 0.012102 0.102E-03 3950.6487
62 -209.573366 0.589E-03 0.452451 0.363E-02 0.012088 0.101E-03 3969.5006
63 -209.573369 0.580E-03 0.452385 0.358E-02 0.012092 0.995E-04 4013.2230
64 -209.573390 0.571E-03 0.452545 0.352E-02 0.012095 0.980E-04 4014.8235
65 -209.573447 0.565E-03 0.452845 0.348E-02 0.012106 0.971E-04 4036.7562
66 -209.573458 0.556E-03 0.453023 0.343E-02 0.012105 0.958E-04 4049.6766
67 -209.573552 0.556E-03 0.453662 0.344E-02 0.012118 0.953E-04 4059.8024
68 -209.573462 0.555E-03 0.453091 0.343E-02 0.012104 0.950E-04 4091.4558
69 -209.573501 0.549E-03 0.453329 0.339E-02 0.012111 0.939E-04 4115.1196
70 -209.573578 0.546E-03 0.453693 0.336E-02 0.012126 0.939E-04 4123.7563
71 -209.573612 0.539E-03 0.453916 0.332E-02 0.012132 0.927E-04 4160.6437
73 -209.573627 0.525E-03 0.453930 0.324E-02 0.012137 0.902E-04 4188.9334
74 -209.573611 0.518E-03 0.453848 0.320E-02 0.012134 0.890E-04 4234.7799
75 -209.573587 0.512E-03 0.453649 0.316E-02 0.012131 0.879E-04 4252.0908
76 -209.573599 0.504E-03 0.453724 0.312E-02 0.012133 0.863E-04 4277.6377
77 -209.573614 0.497E-03 0.453836 0.308E-02 0.012135 0.852E-04 4292.8134
78 -209.573577 0.492E-03 0.453568 0.305E-02 0.012129 0.843E-04 4316.6995
79 -209.573594 0.486E-03 0.453712 0.302E-02 0.012131 0.832E-04 4325.8576
80 -209.573604 0.480E-03 0.453800 0.298E-02 0.012131 0.821E-04 4365.6405
81 -209.573567 0.476E-03 0.453603 0.295E-02 0.012125 0.814E-04 4375.3453
82 -209.573602 0.471E-03 0.453919 0.293E-02 0.012128 0.805E-04 4406.8529
83 -209.573535 0.468E-03 0.453466 0.291E-02 0.012118 0.801E-04 4419.4266
84 -209.573547 0.463E-03 0.453663 0.288E-02 0.012117 0.791E-04 4446.2993
85 -209.573641 0.467E-03 0.454322 0.292E-02 0.012131 0.794E-04 4466.1904
86 -209.573654 0.462E-03 0.454491 0.289E-02 0.012131 0.785E-04 4492.2617
87 -209.573607 0.459E-03 0.454179 0.287E-02 0.012123 0.779E-04 4531.3626
88 -209.573623 0.454E-03 0.454313 0.284E-02 0.012125 0.771E-04 4537.1033
89 -209.573696 0.454E-03 0.454806 0.285E-02 0.012136 0.769E-04 4562.1494
90 -209.573627 0.455E-03 0.454404 0.285E-02 0.012124 0.770E-04 4566.5432
91 -209.573560 0.454E-03 0.453965 0.285E-02 0.012114 0.768E-04 4615.8180
92 -209.573445 0.464E-03 0.453180 0.293E-02 0.012097 0.779E-04 4648.3161
93 -209.573533 0.467E-03 0.453675 0.294E-02 0.012113 0.787E-04 4652.3787
94 -209.573556 0.463E-03 0.453745 0.291E-02 0.012118 0.781E-04 4676.4754
95 -209.573529 0.459E-03 0.453608 0.288E-02 0.012114 0.774E-04 4692.3298
96 -209.573550 0.454E-03 0.453783 0.286E-02 0.012116 0.766E-04 4703.3634
97 -209.573584 0.451E-03 0.454067 0.284E-02 0.012119 0.759E-04 4738.6406
98 -209.573537 0.453E-03 0.453764 0.286E-02 0.012111 0.761E-04 4747.6027
99 -209.573483 0.451E-03 0.453356 0.286E-02 0.012104 0.756E-04 4755.5039
100 -209.573453 0.448E-03 0.453207 0.283E-02 0.012098 0.751E-04 4778.5737
101 -209.573368 0.452E-03 0.452688 0.285E-02 0.012084 0.758E-04 4785.5602
103 -209.573306 0.445E-03 0.452362 0.281E-02 0.012072 0.749E-04 4819.7446
104 -209.573304 0.441E-03 0.452380 0.278E-02 0.012071 0.742E-04 4848.3715
105 -209.573317 0.437E-03 0.452483 0.276E-02 0.012072 0.735E-04 4872.5392
106 -209.573287 0.434E-03 0.452349 0.273E-02 0.012066 0.730E-04 4874.7937
107 -209.573226 0.433E-03 0.451975 0.273E-02 0.012056 0.729E-04 4898.5715
109 -209.573143 0.433E-03 0.451419 0.273E-02 0.012043 0.730E-04 4914.1585
110 -209.573126 0.430E-03 0.451339 0.270E-02 0.012039 0.724E-04 4929.7772
111 -209.573131 0.426E-03 0.451405 0.268E-02 0.012039 0.717E-04 4945.5341
113 -209.573133 0.419E-03 0.451565 0.264E-02 0.012036 0.705E-04 4978.0456
114 -209.573130 0.415E-03 0.451513 0.262E-02 0.012036 0.699E-04 4993.3030
115 -209.573091 0.413E-03 0.451292 0.260E-02 0.012029 0.696E-04 5011.2486
117 -209.573117 0.409E-03 0.451489 0.257E-02 0.012033 0.689E-04 5023.6119
118 -209.573148 0.406E-03 0.451708 0.256E-02 0.012037 0.685E-04 5032.0885
119 -209.573135 0.403E-03 0.451658 0.254E-02 0.012034 0.680E-04 5041.4334
120 -209.573121 0.400E-03 0.451536 0.252E-02 0.012033 0.674E-04 5059.3430
121 -209.573084 0.398E-03 0.451317 0.251E-02 0.012026 0.672E-04 5071.6850
122 -209.573191 0.409E-03 0.452023 0.259E-02 0.012042 0.686E-04 5079.7384
123 -209.573136 0.410E-03 0.451692 0.259E-02 0.012033 0.687E-04 5107.3394
124 -209.573112 0.407E-03 0.451615 0.257E-02 0.012027 0.684E-04 5126.8114
125 -209.573122 0.407E-03 0.451681 0.256E-02 0.012029 0.682E-04 5154.8217
126 -209.573102 0.404E-03 0.451522 0.255E-02 0.012026 0.677E-04 5175.0725
127 -209.573129 0.402E-03 0.451609 0.253E-02 0.012033 0.675E-04 5183.7504
128 -209.573130 0.398E-03 0.451593 0.251E-02 0.012034 0.670E-04 5203.5924
129 -209.573100 0.396E-03 0.451382 0.250E-02 0.012029 0.666E-04 5212.6450
131 -209.573034 0.393E-03 0.450996 0.247E-02 0.012018 0.661E-04 5232.3518
134 -209.573009 0.386E-03 0.450862 0.243E-02 0.012013 0.650E-04 5250.6980
135 -209.573032 0.384E-03 0.451007 0.242E-02 0.012017 0.646E-04 5259.8811
136 -209.573001 0.383E-03 0.450803 0.241E-02 0.012012 0.644E-04 5280.6447
137 -209.572990 0.380E-03 0.450731 0.239E-02 0.012010 0.639E-04 5298.2080
138 -209.572986 0.377E-03 0.450713 0.237E-02 0.012010 0.635E-04 5320.1463
139 -209.572979 0.376E-03 0.450639 0.237E-02 0.012009 0.632E-04 5326.7170
141 -209.572931 0.373E-03 0.450266 0.235E-02 0.012003 0.625E-04 5344.2551
142 -209.572950 0.370E-03 0.450410 0.234E-02 0.012005 0.621E-04 5361.3819
143 -209.572951 0.368E-03 0.450453 0.232E-02 0.012004 0.617E-04 5384.0808
144 -209.572982 0.367E-03 0.450628 0.231E-02 0.012010 0.615E-04 5392.4659
145 -209.572935 0.367E-03 0.450344 0.232E-02 0.012002 0.616E-04 5399.8830
146 -209.573014 0.373E-03 0.450769 0.234E-02 0.012016 0.629E-04 5414.8617
147 -209.572997 0.370E-03 0.450679 0.232E-02 0.012013 0.625E-04 5439.2838
148 -209.572996 0.368E-03 0.450687 0.230E-02 0.012013 0.621E-04 5446.9954
149 -209.573011 0.366E-03 0.450796 0.229E-02 0.012015 0.617E-04 5462.7620
150 -209.572969 0.366E-03 0.450502 0.230E-02 0.012009 0.616E-04 5467.5832
151 -209.572929 0.365E-03 0.450250 0.229E-02 0.012002 0.615E-04 5485.6927
152 -209.572962 0.364E-03 0.450433 0.229E-02 0.012008 0.614E-04 5502.8915
153 -209.572941 0.362E-03 0.450333 0.227E-02 0.012004 0.611E-04 5523.8565
154 -209.572941 0.360E-03 0.450367 0.226E-02 0.012004 0.607E-04 5540.9335
155 -209.572944 0.358E-03 0.450381 0.224E-02 0.012004 0.603E-04 5561.2387
156 -209.572924 0.356E-03 0.450237 0.223E-02 0.012001 0.600E-04 5569.7187
157 -209.572932 0.353E-03 0.450283 0.222E-02 0.012002 0.597E-04 5588.5694
158 -209.572975 0.354E-03 0.450587 0.222E-02 0.012009 0.596E-04 5595.8785
159 -209.572976 0.352E-03 0.450588 0.221E-02 0.012009 0.592E-04 5616.9340
160 -209.573006 0.351E-03 0.450750 0.220E-02 0.012014 0.591E-04 5635.2419
161 -209.572988 0.349E-03 0.450635 0.219E-02 0.012012 0.588E-04 5641.9143
162 -209.573037 0.350E-03 0.450900 0.219E-02 0.012021 0.592E-04 5649.6515
163 -209.573045 0.348E-03 0.450951 0.218E-02 0.012022 0.588E-04 5669.6139
165 -209.573000 0.346E-03 0.450665 0.216E-02 0.012014 0.584E-04 5688.8098
167 -209.573020 0.350E-03 0.450751 0.219E-02 0.012019 0.593E-04 5698.2444
168 -209.573000 0.349E-03 0.450600 0.218E-02 0.012016 0.590E-04 5714.7717
169 -209.572977 0.348E-03 0.450412 0.217E-02 0.012014 0.587E-04 5734.3564
170 -209.572973 0.346E-03 0.450369 0.216E-02 0.012013 0.583E-04 5752.7212
171 -209.572986 0.344E-03 0.450494 0.215E-02 0.012014 0.580E-04 5773.9685
172 -209.572995 0.342E-03 0.450511 0.214E-02 0.012016 0.577E-04 5793.3429
173 -209.572969 0.341E-03 0.450345 0.213E-02 0.012012 0.575E-04 5798.5016
174 -209.572950 0.339E-03 0.450246 0.212E-02 0.012009 0.573E-04 5812.4061
175 -209.572959 0.338E-03 0.450239 0.211E-02 0.012012 0.571E-04 5834.7808
176 -209.572936 0.336E-03 0.450101 0.210E-02 0.012008 0.567E-04 5844.4407
177 -209.572952 0.334E-03 0.450230 0.209E-02 0.012009 0.564E-04 5858.6414
180 -209.572931 0.331E-03 0.450121 0.207E-02 0.012006 0.559E-04 5866.4402
181 -209.572923 0.329E-03 0.450084 0.205E-02 0.012004 0.557E-04 5886.8891
182 -209.572919 0.327E-03 0.450105 0.204E-02 0.012002 0.554E-04 5906.3310
184 -209.572898 0.324E-03 0.450028 0.202E-02 0.011997 0.549E-04 5911.3489
185 -209.572853 0.326E-03 0.449748 0.203E-02 0.011989 0.552E-04 5918.5098
186 -209.572825 0.325E-03 0.449566 0.203E-02 0.011985 0.550E-04 5933.5291
187 -209.572828 0.323E-03 0.449597 0.202E-02 0.011985 0.547E-04 5937.8299
188 -209.572854 0.323E-03 0.449710 0.201E-02 0.011991 0.547E-04 5947.8920
189 -209.572893 0.323E-03 0.449957 0.202E-02 0.011997 0.549E-04 5959.4165
190 -209.572883 0.322E-03 0.449904 0.201E-02 0.011996 0.546E-04 5981.1319
191 -209.572887 0.320E-03 0.449933 0.200E-02 0.011996 0.543E-04 5994.6967
192 -209.572881 0.319E-03 0.449854 0.199E-02 0.011996 0.541E-04 6006.3472
193 -209.572880 0.317E-03 0.449834 0.198E-02 0.011996 0.538E-04 6020.9105
194 -209.572887 0.315E-03 0.449877 0.197E-02 0.011998 0.535E-04 6035.3834
195 -209.572875 0.314E-03 0.449786 0.196E-02 0.011996 0.533E-04 6045.4483
196 -209.572887 0.313E-03 0.449838 0.195E-02 0.011999 0.531E-04 6051.8206
197 -209.572898 0.311E-03 0.449917 0.194E-02 0.012000 0.528E-04 6067.6150
198 -209.572927 0.311E-03 0.450100 0.194E-02 0.012004 0.527E-04 6082.3402
201 -209.572978 0.310E-03 0.450368 0.193E-02 0.012014 0.526E-04 6098.5454
203 -209.573084 0.316E-03 0.451082 0.198E-02 0.012030 0.533E-04 6114.1613
204 -209.573087 0.315E-03 0.451084 0.197E-02 0.012031 0.530E-04 6122.7052
205 -209.573077 0.313E-03 0.451020 0.196E-02 0.012030 0.528E-04 6128.9065
206 -209.573092 0.312E-03 0.451114 0.196E-02 0.012032 0.526E-04 6133.9143
207 -209.573123 0.312E-03 0.451283 0.195E-02 0.012038 0.527E-04 6160.8177
210 -209.573129 0.310E-03 0.451308 0.194E-02 0.012039 0.524E-04 6170.2176
212 -209.573126 0.307E-03 0.451297 0.192E-02 0.012038 0.519E-04 6174.9137
213 -209.573141 0.306E-03 0.451429 0.192E-02 0.012040 0.517E-04 6179.1783
214 -209.573152 0.305E-03 0.451503 0.191E-02 0.012041 0.515E-04 6199.5381
215 -209.573142 0.304E-03 0.451437 0.190E-02 0.012040 0.513E-04 6222.1359
216 -209.573175 0.304E-03 0.451619 0.190E-02 0.012046 0.513E-04 6225.5473
217 -209.573193 0.303E-03 0.451736 0.190E-02 0.012049 0.511E-04 6240.1332
218 -209.573226 0.304E-03 0.451972 0.190E-02 0.012054 0.511E-04 6255.4532
220 -209.573253 0.301E-03 0.452076 0.189E-02 0.012060 0.508E-04 6270.8092
221 -209.573208 0.303E-03 0.451797 0.190E-02 0.012052 0.511E-04 6280.7372
222 -209.573192 0.302E-03 0.451716 0.189E-02 0.012049 0.510E-04 6285.8548
223 -209.573225 0.303E-03 0.451898 0.189E-02 0.012055 0.511E-04 6291.4668
224 -209.573234 0.302E-03 0.451985 0.189E-02 0.012056 0.509E-04 6307.5074
226 -209.573182 0.301E-03 0.451625 0.189E-02 0.012048 0.508E-04 6316.7096
227 -209.573152 0.302E-03 0.451436 0.189E-02 0.012043 0.508E-04 6331.5002
228 -209.573134 0.301E-03 0.451324 0.188E-02 0.012040 0.507E-04 6348.6991
229 -209.573139 0.299E-03 0.451371 0.188E-02 0.012040 0.505E-04 6364.2140
230 -209.573128 0.298E-03 0.451311 0.187E-02 0.012038 0.503E-04 6373.6312
231 -209.573130 0.297E-03 0.451411 0.186E-02 0.012036 0.501E-04 6384.3635
232 -209.573100 0.297E-03 0.451242 0.186E-02 0.012030 0.501E-04 6406.8656
234 -209.573053 0.297E-03 0.450955 0.186E-02 0.012023 0.500E-04 6420.5375
235 -209.573063 0.296E-03 0.451030 0.185E-02 0.012024 0.498E-04 6430.7826
237 -209.573056 0.293E-03 0.450984 0.183E-02 0.012023 0.494E-04 6444.1274
239 -209.573049 0.291E-03 0.451000 0.182E-02 0.012020 0.491E-04 6446.0462
240 -209.573044 0.290E-03 0.450974 0.181E-02 0.012019 0.489E-04 6452.0402
241 -209.573019 0.290E-03 0.450824 0.181E-02 0.012015 0.489E-04 6457.8887
242 -209.573014 0.288E-03 0.450809 0.180E-02 0.012014 0.487E-04 6471.6179
244 -209.572985 0.287E-03 0.450640 0.179E-02 0.012009 0.484E-04 6493.4910
245 -209.572969 0.286E-03 0.450543 0.179E-02 0.012006 0.483E-04 6504.0910
247 -209.572979 0.284E-03 0.450605 0.178E-02 0.012008 0.480E-04 6516.3714
248 -209.572977 0.283E-03 0.450611 0.177E-02 0.012007 0.477E-04 6527.0231
250 -209.572988 0.281E-03 0.450655 0.175E-02 0.012009 0.475E-04 6541.0664
251 -209.572995 0.280E-03 0.450720 0.175E-02 0.012010 0.473E-04 6551.2426
252 -209.572971 0.280E-03 0.450566 0.175E-02 0.012006 0.473E-04 6563.2128
253 -209.572978 0.279E-03 0.450589 0.174E-02 0.012008 0.471E-04 6574.7292
255 -209.572985 0.277E-03 0.450647 0.173E-02 0.012008 0.468E-04 6590.6432
256 -209.572988 0.276E-03 0.450687 0.172E-02 0.012008 0.466E-04 6596.8561
257 -209.572972 0.275E-03 0.450604 0.172E-02 0.012005 0.465E-04 6610.2402
258 -209.572979 0.274E-03 0.450672 0.171E-02 0.012006 0.463E-04 6621.3034
259 -209.572998 0.274E-03 0.450768 0.171E-02 0.012009 0.463E-04 6636.4407
260 -209.572996 0.273E-03 0.450759 0.170E-02 0.012009 0.461E-04 6644.1570
262 -209.573018 0.271E-03 0.450939 0.170E-02 0.012012 0.458E-04 6663.4826
263 -209.573003 0.271E-03 0.450812 0.169E-02 0.012010 0.457E-04 6666.8698
264 -209.573026 0.271E-03 0.450950 0.169E-02 0.012014 0.457E-04 6686.2785
265 -209.573060 0.272E-03 0.451158 0.170E-02 0.012020 0.459E-04 6691.8504
266 -209.573072 0.271E-03 0.451200 0.169E-02 0.012022 0.458E-04 6714.1237
268 -209.573127 0.272E-03 0.451575 0.170E-02 0.012031 0.458E-04 6727.3554
269 -209.573110 0.271E-03 0.451483 0.170E-02 0.012028 0.457E-04 6731.1150
270 -209.573134 0.271E-03 0.451633 0.170E-02 0.012031 0.457E-04 6737.7420
271 -209.573140 0.270E-03 0.451654 0.169E-02 0.012033 0.456E-04 6739.5591
272 -209.573151 0.270E-03 0.451742 0.169E-02 0.012034 0.454E-04 6767.5788
274 -209.573137 0.268E-03 0.451666 0.168E-02 0.012032 0.452E-04 6774.0346
275 -209.573137 0.267E-03 0.451641 0.168E-02 0.012032 0.450E-04 6784.6518
277 -209.573115 0.267E-03 0.451537 0.167E-02 0.012028 0.449E-04 6809.2273
278 -209.573104 0.266E-03 0.451459 0.166E-02 0.012026 0.448E-04 6814.9629
279 -209.573098 0.265E-03 0.451410 0.166E-02 0.012026 0.446E-04 6829.2611
281 -209.573119 0.264E-03 0.451539 0.165E-02 0.012029 0.444E-04 6832.7786
284 -209.573113 0.262E-03 0.451541 0.164E-02 0.012027 0.442E-04 6867.3989
287 -209.573141 0.263E-03 0.451703 0.165E-02 0.012032 0.443E-04 6882.2732
290 -209.573109 0.261E-03 0.451509 0.163E-02 0.012027 0.439E-04 6902.7846
292 -209.573111 0.260E-03 0.451506 0.163E-02 0.012027 0.437E-04 6921.0708
293 -209.573099 0.260E-03 0.451411 0.163E-02 0.012026 0.436E-04 6928.7124
294 -209.573098 0.259E-03 0.451414 0.162E-02 0.012026 0.435E-04 6950.7155
297 -209.573087 0.256E-03 0.451374 0.160E-02 0.012023 0.431E-04 6975.2011
299 -209.573101 0.255E-03 0.451506 0.160E-02 0.012024 0.428E-04 6996.7528
302 -209.573102 0.255E-03 0.451504 0.160E-02 0.012024 0.428E-04 7012.4818
303 -209.573084 0.255E-03 0.451392 0.160E-02 0.012021 0.427E-04 7019.0820
304 -209.573098 0.254E-03 0.451497 0.160E-02 0.012023 0.427E-04 7023.2452
306 -209.573091 0.254E-03 0.451484 0.159E-02 0.012022 0.426E-04 7044.0535
307 -209.573110 0.253E-03 0.451656 0.158E-02 0.012023 0.425E-04 7059.8446
308 -209.573092 0.252E-03 0.451524 0.158E-02 0.012020 0.424E-04 7077.8370
311 -209.573091 0.250E-03 0.451504 0.157E-02 0.012021 0.421E-04 7092.2496
312 -209.573071 0.250E-03 0.451367 0.157E-02 0.012018 0.420E-04 7106.5376
313 -209.573082 0.250E-03 0.451406 0.157E-02 0.012020 0.420E-04 7114.4685
314 -209.573082 0.249E-03 0.451412 0.156E-02 0.012020 0.418E-04 7119.0371
316 -209.573064 0.248E-03 0.451300 0.156E-02 0.012017 0.416E-04 7124.8197
317 -209.573069 0.247E-03 0.451329 0.155E-02 0.012018 0.415E-04 7147.9817
318 -209.573057 0.247E-03 0.451282 0.155E-02 0.012016 0.415E-04 7153.2427
319 -209.573061 0.246E-03 0.451295 0.154E-02 0.012016 0.413E-04 7157.2235
320 -209.573054 0.245E-03 0.451246 0.154E-02 0.012015 0.412E-04 7171.8350
322 -209.573068 0.246E-03 0.451336 0.154E-02 0.012017 0.412E-04 7185.7654
323 -209.573071 0.245E-03 0.451343 0.154E-02 0.012018 0.411E-04 7193.0499
324 -209.573072 0.245E-03 0.451342 0.154E-02 0.012018 0.410E-04 7194.6682
325 -209.573078 0.244E-03 0.451370 0.153E-02 0.012019 0.409E-04 7207.8591
327 -209.573078 0.243E-03 0.451405 0.153E-02 0.012019 0.407E-04 7213.1613
328 -209.573100 0.243E-03 0.451554 0.153E-02 0.012022 0.407E-04 7218.5096
329 -209.573096 0.243E-03 0.451514 0.153E-02 0.012022 0.406E-04 7241.9617
330 -209.573107 0.242E-03 0.451584 0.152E-02 0.012023 0.405E-04 7247.0920
331 -209.573090 0.242E-03 0.451505 0.152E-02 0.012020 0.405E-04 7254.9823
332 -209.573103 0.242E-03 0.451576 0.152E-02 0.012023 0.405E-04 7259.8515
333 -209.573099 0.241E-03 0.451546 0.151E-02 0.012022 0.404E-04 7265.7956
337 -209.573062 0.239E-03 0.451317 0.150E-02 0.012016 0.401E-04 7282.9093
340 -209.573037 0.238E-03 0.451156 0.149E-02 0.012012 0.399E-04 7288.8891
342 -209.573058 0.237E-03 0.451273 0.149E-02 0.012016 0.397E-04 7301.9529
343 -209.573080 0.237E-03 0.451419 0.149E-02 0.012019 0.398E-04 7313.1257
346 -209.573092 0.236E-03 0.451465 0.148E-02 0.012022 0.395E-04 7335.7076
347 -209.573092 0.235E-03 0.451464 0.148E-02 0.012022 0.394E-04 7339.8045
348 -209.573080 0.235E-03 0.451397 0.147E-02 0.012020 0.393E-04 7348.6768
349 -209.573093 0.234E-03 0.451488 0.147E-02 0.012022 0.392E-04 7353.2109
350 -209.573118 0.235E-03 0.451625 0.147E-02 0.012027 0.394E-04 7360.6214
351 -209.573135 0.235E-03 0.451721 0.147E-02 0.012029 0.394E-04 7373.1868
352 -209.573140 0.234E-03 0.451727 0.147E-02 0.012031 0.393E-04 7390.1466
355 -209.573118 0.233E-03 0.451592 0.146E-02 0.012027 0.391E-04 7393.3366
356 -209.573141 0.230E-03 0.451787 0.143E-02 0.012030 0.387E-04 7394.7302
357 -209.573122 0.230E-03 0.451675 0.143E-02 0.012026 0.387E-04 7407.2873
359 -209.573097 0.229E-03 0.451522 0.143E-02 0.012022 0.386E-04 7424.7730
360 -209.573084 0.229E-03 0.451438 0.143E-02 0.012020 0.386E-04 7428.5271
361 -209.573100 0.229E-03 0.451556 0.143E-02 0.012022 0.386E-04 7446.9070
363 -209.573106 0.230E-03 0.451593 0.144E-02 0.012023 0.387E-04 7452.1983
364 -209.573104 0.229E-03 0.451569 0.143E-02 0.012023 0.385E-04 7474.4170
368 -209.573116 0.229E-03 0.451653 0.143E-02 0.012025 0.385E-04 7482.8916
369 -209.573103 0.229E-03 0.451577 0.143E-02 0.012023 0.385E-04 7488.5156
370 -209.573085 0.229E-03 0.451482 0.143E-02 0.012020 0.385E-04 7492.7645
371 -209.573082 0.228E-03 0.451473 0.142E-02 0.012019 0.385E-04 7498.4656
372 -209.573071 0.228E-03 0.451415 0.142E-02 0.012017 0.384E-04 7522.9242
373 -209.573045 0.228E-03 0.451287 0.142E-02 0.012012 0.384E-04 7529.3430
374 -209.573038 0.227E-03 0.451227 0.142E-02 0.012011 0.383E-04 7540.6768
376 -209.573043 0.227E-03 0.451262 0.141E-02 0.012011 0.382E-04 7547.2401
378 -209.573025 0.226E-03 0.451161 0.141E-02 0.012008 0.381E-04 7560.5081
379 -209.573026 0.225E-03 0.451142 0.140E-02 0.012009 0.380E-04 7569.3528
380 -209.573034 0.225E-03 0.451190 0.140E-02 0.012011 0.379E-04 7582.3901
381 -209.573034 0.224E-03 0.451192 0.140E-02 0.012011 0.378E-04 7586.7836
382 -209.573028 0.224E-03 0.451165 0.139E-02 0.012009 0.377E-04 7593.3809
384 -209.573018 0.223E-03 0.451081 0.139E-02 0.012008 0.376E-04 7609.7529
385 -209.573034 0.223E-03 0.451176 0.139E-02 0.012011 0.376E-04 7617.7204
386 -209.573043 0.223E-03 0.451269 0.139E-02 0.012011 0.375E-04 7629.9586
387 -209.573076 0.225E-03 0.451475 0.140E-02 0.012017 0.378E-04 7639.7276
388 -209.573089 0.224E-03 0.451569 0.140E-02 0.012019 0.377E-04 7641.0532
389 -209.573104 0.224E-03 0.451650 0.140E-02 0.012021 0.377E-04 7656.3603
390 -209.573084 0.225E-03 0.451524 0.140E-02 0.012018 0.378E-04 7662.1117
392 -209.573145 0.228E-03 0.451888 0.142E-02 0.012028 0.385E-04 7669.8666
393 -209.573140 0.228E-03 0.451861 0.142E-02 0.012027 0.384E-04 7677.7609
394 -209.573141 0.227E-03 0.451861 0.141E-02 0.012028 0.383E-04 7686.1686
395 -209.573131 0.227E-03 0.451811 0.141E-02 0.012026 0.383E-04 7701.5822
396 -209.573121 0.227E-03 0.451747 0.141E-02 0.012024 0.382E-04 7703.2505
398 -209.573100 0.225E-03 0.451595 0.140E-02 0.012021 0.380E-04 7717.1065
400 -209.573106 0.225E-03 0.451628 0.140E-02 0.012022 0.378E-04 7722.1516
401 -209.573129 0.225E-03 0.451783 0.140E-02 0.012026 0.379E-04 7726.6794
402 -209.573122 0.225E-03 0.451730 0.140E-02 0.012025 0.378E-04 7732.4374
403 -209.573117 0.224E-03 0.451688 0.140E-02 0.012024 0.377E-04 7749.0401
405 -209.573150 0.224E-03 0.451892 0.140E-02 0.012030 0.378E-04 7756.1599
406 -209.573140 0.224E-03 0.451836 0.140E-02 0.012028 0.377E-04 7768.4962
407 -209.573158 0.224E-03 0.451957 0.140E-02 0.012031 0.377E-04 7773.1977
409 -209.573145 0.224E-03 0.451881 0.140E-02 0.012028 0.376E-04 7779.0194
411 -209.573147 0.223E-03 0.451869 0.139E-02 0.012029 0.375E-04 7796.2009
412 -209.573152 0.223E-03 0.451902 0.139E-02 0.012030 0.374E-04 7803.3502
413 -209.573144 0.222E-03 0.451857 0.139E-02 0.012029 0.374E-04 7812.7400
414 -209.573136 0.222E-03 0.451797 0.138E-02 0.012027 0.373E-04 7816.2019
415 -209.573124 0.222E-03 0.451723 0.138E-02 0.012026 0.373E-04 7821.4813
417 -209.573140 0.221E-03 0.451848 0.138E-02 0.012028 0.372E-04 7825.6509
420 -209.573148 0.220E-03 0.451911 0.138E-02 0.012029 0.370E-04 7843.5897
421 -209.573149 0.220E-03 0.451913 0.137E-02 0.012029 0.369E-04 7859.8385
422 -209.573147 0.219E-03 0.451903 0.137E-02 0.012029 0.368E-04 7868.4250
423 -209.573140 0.219E-03 0.451865 0.137E-02 0.012027 0.367E-04 7872.3829
424 -209.573150 0.218E-03 0.451934 0.137E-02 0.012029 0.367E-04 7884.7271
425 -209.573152 0.218E-03 0.451939 0.136E-02 0.012029 0.366E-04 7888.9473
427 -209.573141 0.218E-03 0.451863 0.136E-02 0.012028 0.365E-04 7897.1161
429 -209.573165 0.216E-03 0.452051 0.135E-02 0.012031 0.362E-04 7906.5726
430 -209.573162 0.215E-03 0.452034 0.135E-02 0.012030 0.361E-04 7929.4754
432 -209.573150 0.215E-03 0.451948 0.134E-02 0.012029 0.360E-04 7934.0639
433 -209.573141 0.214E-03 0.451902 0.134E-02 0.012027 0.359E-04 7935.3072
436 -209.573152 0.213E-03 0.451981 0.133E-02 0.012028 0.357E-04 7945.1179
438 -209.573163 0.212E-03 0.452075 0.133E-02 0.012030 0.356E-04 7953.4340
439 -209.573154 0.212E-03 0.452010 0.133E-02 0.012028 0.355E-04 7963.0714
441 -209.573144 0.211E-03 0.451939 0.132E-02 0.012027 0.354E-04 7980.6466
442 -209.573136 0.211E-03 0.451894 0.132E-02 0.012025 0.353E-04 7991.8511
445 -209.573130 0.209E-03 0.451890 0.131E-02 0.012023 0.351E-04 7999.6894
446 -209.573137 0.209E-03 0.451921 0.131E-02 0.012025 0.351E-04 8009.5231
450 -209.573133 0.208E-03 0.451894 0.131E-02 0.012024 0.349E-04 8031.5719
452 -209.573102 0.209E-03 0.451700 0.131E-02 0.012019 0.349E-04 8039.3270
454 -209.573111 0.208E-03 0.451769 0.131E-02 0.012020 0.349E-04 8053.3234
455 -209.573110 0.208E-03 0.451791 0.130E-02 0.012019 0.348E-04 8056.3932
459 -209.573098 0.206E-03 0.451693 0.129E-02 0.012018 0.347E-04 8076.1373
460 -209.573105 0.206E-03 0.451742 0.129E-02 0.012019 0.346E-04 8077.5385
462 -209.573078 0.206E-03 0.451573 0.129E-02 0.012015 0.346E-04 8087.8932
463 -209.573090 0.206E-03 0.451640 0.129E-02 0.012017 0.346E-04 8092.3571
465 -209.573092 0.206E-03 0.451666 0.129E-02 0.012017 0.345E-04 8099.9554
466 -209.573107 0.206E-03 0.451744 0.129E-02 0.012020 0.345E-04 8103.7816
472 -209.573098 0.204E-03 0.451702 0.128E-02 0.012018 0.342E-04 8121.0473
473 -209.573100 0.203E-03 0.451729 0.127E-02 0.012018 0.341E-04 8131.3897
474 -209.573114 0.204E-03 0.451806 0.127E-02 0.012021 0.342E-04 8139.8248
475 -209.573110 0.203E-03 0.451767 0.127E-02 0.012020 0.341E-04 8148.1677
476 -209.573105 0.203E-03 0.451732 0.127E-02 0.012020 0.340E-04 8150.6407
480 -209.573100 0.201E-03 0.451705 0.126E-02 0.012019 0.338E-04 8169.8570
481 -209.573088 0.201E-03 0.451627 0.126E-02 0.012017 0.338E-04 8178.4263
482 -209.573077 0.201E-03 0.451561 0.126E-02 0.012015 0.338E-04 8186.3397
484 -209.573064 0.201E-03 0.451483 0.125E-02 0.012013 0.337E-04 8197.0413
487 -209.573081 0.200E-03 0.451613 0.125E-02 0.012015 0.336E-04 8220.0753
489 -209.573062 0.200E-03 0.451492 0.125E-02 0.012012 0.335E-04 8232.7776
490 -209.573061 0.199E-03 0.451482 0.125E-02 0.012012 0.335E-04 8251.1377
493 -209.573060 0.198E-03 0.451453 0.124E-02 0.012012 0.333E-04 8258.0622
494 -209.573074 0.199E-03 0.451534 0.124E-02 0.012015 0.334E-04 8262.7371
495 -209.573101 0.200E-03 0.451705 0.125E-02 0.012019 0.336E-04 8269.6355
496 -209.573091 0.200E-03 0.451650 0.125E-02 0.012017 0.336E-04 8278.6471
497 -209.573079 0.200E-03 0.451577 0.125E-02 0.012015 0.336E-04 8289.8500
502 -209.573070 0.198E-03 0.451529 0.124E-02 0.012013 0.333E-04 8297.1399
504 -209.573050 0.198E-03 0.451423 0.124E-02 0.012010 0.333E-04 8304.8118
505 -209.573061 0.198E-03 0.451485 0.124E-02 0.012012 0.333E-04 8308.8480
506 -209.573067 0.198E-03 0.451526 0.123E-02 0.012013 0.332E-04 8310.8644
507 -209.573062 0.197E-03 0.451502 0.123E-02 0.012012 0.332E-04 8317.0568
508 -209.573065 0.197E-03 0.451527 0.123E-02 0.012012 0.331E-04 8319.5977
511 -209.573032 0.197E-03 0.451324 0.123E-02 0.012006 0.331E-04 8324.9131
512 -209.573038 0.197E-03 0.451352 0.123E-02 0.012008 0.330E-04 8337.4972
515 -209.573017 0.196E-03 0.451216 0.122E-02 0.012004 0.329E-04 8344.2213
517 -209.572983 0.196E-03 0.450997 0.123E-02 0.011999 0.330E-04 8349.6484
518 -209.572976 0.196E-03 0.450946 0.123E-02 0.011998 0.329E-04 8355.2243
519 -209.572973 0.196E-03 0.450924 0.122E-02 0.011997 0.329E-04 8358.2216
520 -209.572979 0.196E-03 0.450972 0.122E-02 0.011998 0.328E-04 8366.2623
522 -209.572983 0.195E-03 0.451000 0.122E-02 0.011998 0.327E-04 8371.3284
526 -209.572954 0.194E-03 0.450836 0.121E-02 0.011993 0.326E-04 8387.7658
528 -209.572956 0.193E-03 0.450852 0.121E-02 0.011994 0.324E-04 8391.2509
530 -209.572955 0.193E-03 0.450859 0.121E-02 0.011993 0.324E-04 8402.2047
531 -209.572958 0.193E-03 0.450877 0.120E-02 0.011994 0.323E-04 8411.6593
532 -209.572957 0.192E-03 0.450872 0.120E-02 0.011993 0.322E-04 8412.8879
533 -209.572960 0.192E-03 0.450895 0.120E-02 0.011994 0.322E-04 8417.8265
535 -209.572947 0.191E-03 0.450817 0.120E-02 0.011992 0.321E-04 8430.6458
536 -209.572952 0.191E-03 0.450843 0.119E-02 0.011992 0.321E-04 8433.3548
537 -209.572957 0.191E-03 0.450889 0.119E-02 0.011993 0.320E-04 8441.0182
539 -209.572964 0.190E-03 0.450943 0.119E-02 0.011994 0.319E-04 8449.4998
541 -209.572977 0.190E-03 0.451005 0.119E-02 0.011997 0.319E-04 8450.6670
542 -209.572974 0.190E-03 0.450980 0.118E-02 0.011996 0.318E-04 8460.3873
544 -209.572954 0.189E-03 0.450868 0.118E-02 0.011993 0.318E-04 8463.8872
545 -209.572945 0.189E-03 0.450818 0.118E-02 0.011991 0.318E-04 8479.2049
547 -209.572913 0.190E-03 0.450618 0.119E-02 0.011986 0.319E-04 8490.4203
548 -209.572906 0.190E-03 0.450543 0.119E-02 0.011985 0.318E-04 8497.0765
551 -209.572906 0.189E-03 0.450556 0.118E-02 0.011985 0.316E-04 8505.8821
552 -209.572899 0.189E-03 0.450519 0.118E-02 0.011984 0.316E-04 8509.7195
556 -209.572908 0.188E-03 0.450560 0.117E-02 0.011985 0.314E-04 8526.2513
557 -209.572910 0.187E-03 0.450580 0.117E-02 0.011986 0.314E-04 8536.7736
558 -209.572914 0.187E-03 0.450599 0.117E-02 0.011986 0.313E-04 8543.9370
559 -209.572916 0.187E-03 0.450622 0.117E-02 0.011987 0.313E-04 8558.7408
563 -209.572916 0.185E-03 0.450615 0.116E-02 0.011987 0.311E-04 8573.0264
564 -209.572918 0.185E-03 0.450636 0.116E-02 0.011987 0.310E-04 8582.0438
565 -209.572901 0.186E-03 0.450521 0.116E-02 0.011984 0.311E-04 8590.9802
567 -209.572903 0.185E-03 0.450537 0.116E-02 0.011984 0.310E-04 8600.7827
568 -209.572901 0.185E-03 0.450530 0.116E-02 0.011984 0.310E-04 8617.1715
570 -209.572893 0.184E-03 0.450486 0.115E-02 0.011982 0.309E-04 8632.6330
573 -209.572893 0.184E-03 0.450496 0.115E-02 0.011982 0.308E-04 8637.4536
576 -209.572884 0.183E-03 0.450435 0.114E-02 0.011981 0.307E-04 8651.5629
577 -209.572883 0.183E-03 0.450443 0.114E-02 0.011981 0.306E-04 8665.7220
581 -209.572865 0.182E-03 0.450339 0.114E-02 0.011977 0.305E-04 8674.4996
582 -209.572860 0.182E-03 0.450312 0.114E-02 0.011976 0.304E-04 8677.5858
583 -209.572860 0.181E-03 0.450327 0.113E-02 0.011976 0.304E-04 8684.8325
584 -209.572875 0.182E-03 0.450416 0.114E-02 0.011978 0.304E-04 8694.7731
585 -209.572872 0.181E-03 0.450401 0.113E-02 0.011978 0.304E-04 8697.5886
586 -209.572866 0.181E-03 0.450367 0.113E-02 0.011977 0.303E-04 8710.1801
587 -209.572866 0.180E-03 0.450385 0.113E-02 0.011976 0.302E-04 8712.1011
589 -209.572862 0.180E-03 0.450364 0.112E-02 0.011976 0.301E-04 8723.2388
591 -209.572882 0.180E-03 0.450474 0.113E-02 0.011979 0.302E-04 8731.2943
593 -209.572900 0.180E-03 0.450579 0.113E-02 0.011982 0.302E-04 8744.3618
595 -209.572908 0.180E-03 0.450636 0.112E-02 0.011983 0.302E-04 8757.1963
596 -209.572920 0.180E-03 0.450696 0.112E-02 0.011986 0.302E-04 8758.7358
599 -209.572918 0.180E-03 0.450705 0.112E-02 0.011985 0.301E-04 8767.5747
600 -209.572933 0.180E-03 0.450785 0.112E-02 0.011988 0.302E-04 8768.6037
601 -209.572927 0.180E-03 0.450745 0.112E-02 0.011987 0.302E-04 8777.9850
602 -209.572925 0.179E-03 0.450725 0.112E-02 0.011987 0.301E-04 8787.0119
604 -209.572911 0.179E-03 0.450637 0.112E-02 0.011984 0.301E-04 8791.0966
607 -209.572910 0.179E-03 0.450622 0.111E-02 0.011984 0.300E-04 8804.9165
608 -209.572907 0.178E-03 0.450616 0.111E-02 0.011983 0.299E-04 8815.5629
611 -209.572905 0.177E-03 0.450585 0.111E-02 0.011984 0.298E-04 8824.5409
612 -209.572909 0.177E-03 0.450613 0.111E-02 0.011984 0.297E-04 8838.1777
616 -209.572925 0.176E-03 0.450708 0.110E-02 0.011987 0.296E-04 8849.6739
618 -209.572921 0.176E-03 0.450689 0.110E-02 0.011986 0.295E-04 8861.4272
619 -209.572937 0.176E-03 0.450784 0.110E-02 0.011989 0.296E-04 8871.6694
623 -209.572946 0.177E-03 0.450842 0.110E-02 0.011990 0.296E-04 8878.5283
624 -209.572933 0.177E-03 0.450771 0.110E-02 0.011988 0.297E-04 8884.0080
626 -209.572926 0.176E-03 0.450706 0.109E-02 0.011987 0.295E-04 8896.7385
627 -209.572930 0.176E-03 0.450734 0.109E-02 0.011988 0.295E-04 8907.7524
631 -209.572927 0.175E-03 0.450718 0.109E-02 0.011987 0.294E-04 8916.1759
633 -209.572938 0.175E-03 0.450790 0.109E-02 0.011989 0.294E-04 8933.7727
638 -209.572931 0.174E-03 0.450729 0.108E-02 0.011988 0.293E-04 8942.4727
639 -209.572924 0.174E-03 0.450685 0.108E-02 0.011987 0.293E-04 8955.3708
640 -209.572923 0.174E-03 0.450681 0.108E-02 0.011987 0.292E-04 8963.1659
643 -209.572924 0.173E-03 0.450697 0.108E-02 0.011987 0.291E-04 8970.1783
645 -209.572927 0.173E-03 0.450719 0.107E-02 0.011987 0.290E-04 8980.2046
647 -209.572925 0.172E-03 0.450718 0.107E-02 0.011987 0.289E-04 8987.5638
653 -209.572918 0.171E-03 0.450673 0.106E-02 0.011986 0.287E-04 9001.4342
656 -209.572930 0.170E-03 0.450740 0.106E-02 0.011988 0.286E-04 9009.8073
657 -209.572929 0.170E-03 0.450725 0.106E-02 0.011988 0.286E-04 9017.3116
659 -209.572929 0.170E-03 0.450722 0.106E-02 0.011988 0.285E-04 9024.0458
661 -209.572926 0.169E-03 0.450698 0.105E-02 0.011987 0.284E-04 9035.2479
664 -209.572922 0.168E-03 0.450661 0.105E-02 0.011987 0.283E-04 9046.9295
668 -209.572912 0.167E-03 0.450603 0.104E-02 0.011985 0.282E-04 9055.8733
669 -209.572915 0.167E-03 0.450631 0.104E-02 0.011986 0.281E-04 9062.9255
671 -209.572909 0.167E-03 0.450589 0.104E-02 0.011985 0.281E-04 9075.8733
673 -209.572902 0.166E-03 0.450539 0.104E-02 0.011984 0.280E-04 9079.5675
674 -209.572889 0.167E-03 0.450452 0.104E-02 0.011982 0.280E-04 9082.4672
678 -209.572880 0.166E-03 0.450405 0.104E-02 0.011980 0.280E-04 9097.7951
681 -209.572894 0.167E-03 0.450489 0.104E-02 0.011982 0.280E-04 9104.9752
682 -209.572890 0.166E-03 0.450481 0.104E-02 0.011982 0.280E-04 9110.3930
683 -209.572896 0.166E-03 0.450519 0.103E-02 0.011983 0.280E-04 9119.5460
684 -209.572896 0.166E-03 0.450515 0.103E-02 0.011982 0.279E-04 9128.9108
687 -209.572894 0.165E-03 0.450511 0.103E-02 0.011982 0.278E-04 9146.5703
690 -209.572894 0.165E-03 0.450500 0.103E-02 0.011982 0.277E-04 9153.2545
693 -209.572897 0.164E-03 0.450513 0.102E-02 0.011983 0.276E-04 9162.3208
695 -209.572897 0.164E-03 0.450512 0.102E-02 0.011983 0.276E-04 9171.6968
698 -209.572894 0.164E-03 0.450510 0.102E-02 0.011982 0.276E-04 9175.6954
703 -209.572891 0.163E-03 0.450499 0.101E-02 0.011981 0.274E-04 9192.6945
707 -209.572895 0.162E-03 0.450545 0.101E-02 0.011982 0.273E-04 9195.6966
709 -209.572897 0.162E-03 0.450561 0.101E-02 0.011982 0.272E-04 9199.9706
710 -209.572911 0.162E-03 0.450659 0.100E-02 0.011984 0.272E-04 9208.3937
711 -209.572913 0.161E-03 0.450666 0.100E-02 0.011984 0.272E-04 9223.5982
717 -209.572915 0.161E-03 0.450679 0.100E-02 0.011985 0.271E-04 9236.4818
718 -209.572913 0.161E-03 0.450664 0.998E-03 0.011984 0.271E-04 9245.9559
719 -209.572913 0.161E-03 0.450667 0.997E-03 0.011984 0.271E-04 9255.0666
722 -209.572909 0.160E-03 0.450648 0.994E-03 0.011983 0.270E-04 9261.1552
723 -209.572928 0.161E-03 0.450767 0.100E-02 0.011986 0.271E-04 9266.8353
725 -209.572931 0.161E-03 0.450791 0.998E-03 0.011987 0.270E-04 9268.9879
733 -209.572916 0.160E-03 0.450736 0.995E-03 0.011983 0.269E-04 9281.0012
734 -209.572918 0.160E-03 0.450744 0.994E-03 0.011984 0.269E-04 9288.6920
735 -209.572911 0.160E-03 0.450702 0.993E-03 0.011983 0.269E-04 9292.3955
738 -209.572912 0.159E-03 0.450716 0.990E-03 0.011983 0.268E-04 9300.6713
740 -209.572906 0.159E-03 0.450672 0.988E-03 0.011982 0.267E-04 9307.0577
741 -209.572904 0.159E-03 0.450663 0.987E-03 0.011981 0.267E-04 9315.8618
744 -209.572901 0.158E-03 0.450640 0.984E-03 0.011981 0.266E-04 9327.5432
746 -209.572886 0.158E-03 0.450533 0.984E-03 0.011979 0.266E-04 9339.0820
747 -209.572884 0.158E-03 0.450524 0.983E-03 0.011978 0.266E-04 9347.9276
748 -209.572882 0.158E-03 0.450524 0.981E-03 0.011978 0.265E-04 9353.8854
751 -209.572885 0.157E-03 0.450540 0.978E-03 0.011978 0.264E-04 9358.3797
752 -209.572879 0.157E-03 0.450505 0.977E-03 0.011977 0.264E-04 9359.9552
753 -209.572884 0.157E-03 0.450528 0.976E-03 0.011978 0.264E-04 9362.4927
760 -209.572890 0.155E-03 0.450540 0.964E-03 0.011980 0.262E-04 9379.9295
761 -209.572889 0.155E-03 0.450524 0.963E-03 0.011980 0.262E-04 9381.7154
762 -209.572883 0.155E-03 0.450481 0.963E-03 0.011979 0.261E-04 9385.1198
765 -209.572875 0.155E-03 0.450449 0.960E-03 0.011977 0.261E-04 9396.1696
768 -209.572874 0.154E-03 0.450423 0.957E-03 0.011978 0.260E-04 9412.1614
772 -209.572872 0.154E-03 0.450409 0.953E-03 0.011977 0.259E-04 9418.1039
773 -209.572877 0.154E-03 0.450433 0.952E-03 0.011978 0.259E-04 9425.7689
774 -209.572882 0.153E-03 0.450464 0.952E-03 0.011979 0.259E-04 9429.2213
775 -209.572879 0.153E-03 0.450442 0.951E-03 0.011979 0.259E-04 9431.1822
779 -209.572879 0.153E-03 0.450450 0.948E-03 0.011979 0.258E-04 9442.8092
781 -209.572871 0.152E-03 0.450392 0.946E-03 0.011977 0.257E-04 9446.3584
782 -209.572868 0.152E-03 0.450378 0.945E-03 0.011977 0.257E-04 9452.2519
785 -209.572884 0.152E-03 0.450479 0.944E-03 0.011980 0.256E-04 9456.1857
786 -209.572885 0.152E-03 0.450495 0.943E-03 0.011979 0.256E-04 9458.4672
787 -209.572880 0.152E-03 0.450469 0.942E-03 0.011978 0.256E-04 9464.5947
790 -209.572889 0.152E-03 0.450503 0.940E-03 0.011981 0.256E-04 9473.5779
791 -209.572885 0.151E-03 0.450484 0.939E-03 0.011980 0.255E-04 9474.7368
793 -209.572871 0.151E-03 0.450396 0.939E-03 0.011978 0.255E-04 9478.0247
795 -209.572876 0.151E-03 0.450423 0.936E-03 0.011978 0.255E-04 9490.1797
796 -209.572872 0.151E-03 0.450410 0.935E-03 0.011978 0.255E-04 9493.2604
797 -209.572876 0.151E-03 0.450431 0.934E-03 0.011978 0.254E-04 9498.2791
798 -209.572879 0.151E-03 0.450448 0.933E-03 0.011979 0.254E-04 9504.2179
800 -209.572868 0.150E-03 0.450377 0.933E-03 0.011977 0.254E-04 9510.2561
801 -209.572882 0.151E-03 0.450457 0.935E-03 0.011980 0.255E-04 9521.0380
804 -209.572867 0.151E-03 0.450375 0.933E-03 0.011977 0.254E-04 9524.3145
805 -209.572862 0.151E-03 0.450347 0.933E-03 0.011976 0.254E-04 9538.2153
808 -209.572859 0.150E-03 0.450327 0.930E-03 0.011975 0.254E-04 9546.7977
810 -209.572865 0.150E-03 0.450374 0.929E-03 0.011976 0.253E-04 9551.1771
811 -209.572870 0.150E-03 0.450406 0.929E-03 0.011977 0.253E-04 9553.9276
817 -209.572872 0.149E-03 0.450353 0.923E-03 0.011979 0.252E-04 9555.5247
819 -209.572867 0.149E-03 0.450326 0.921E-03 0.011978 0.252E-04 9568.8608
821 -209.572859 0.149E-03 0.450276 0.920E-03 0.011977 0.251E-04 9571.0282
826 -209.572878 0.148E-03 0.450397 0.918E-03 0.011980 0.251E-04 9585.9533
829 -209.572860 0.148E-03 0.450291 0.917E-03 0.011976 0.250E-04 9592.4022
832 -209.572865 0.148E-03 0.450320 0.915E-03 0.011977 0.250E-04 9601.9798
833 -209.572879 0.148E-03 0.450395 0.917E-03 0.011980 0.251E-04 9614.2371
835 -209.572884 0.148E-03 0.450433 0.915E-03 0.011981 0.250E-04 9617.9155
840 -209.572881 0.147E-03 0.450401 0.910E-03 0.011981 0.249E-04 9630.9423
843 -209.572866 0.147E-03 0.450303 0.909E-03 0.011978 0.249E-04 9639.8242
846 -209.572870 0.147E-03 0.450329 0.906E-03 0.011979 0.248E-04 9649.0055
851 -209.572865 0.146E-03 0.450287 0.903E-03 0.011978 0.247E-04 9663.3392
852 -209.572864 0.146E-03 0.450286 0.901E-03 0.011978 0.247E-04 9665.6138
858 -209.572871 0.145E-03 0.450316 0.897E-03 0.011979 0.246E-04 9677.2398
862 -209.572862 0.145E-03 0.450282 0.894E-03 0.011977 0.245E-04 9685.6490
864 -209.572853 0.145E-03 0.450218 0.893E-03 0.011976 0.245E-04 9692.0655
866 -209.572853 0.144E-03 0.450213 0.891E-03 0.011976 0.244E-04 9696.0883
867 -209.572851 0.144E-03 0.450202 0.890E-03 0.011976 0.244E-04 9718.2267
880 -209.572832 0.143E-03 0.450088 0.884E-03 0.011972 0.242E-04 9720.3276
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
1.197241495269107E-002
-------
.. >>>>> [ RES MEM : 10.727707 GB ] [ VIRT MEM : 23.276913 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 17454.495215 s ] [ CPU TIME: 2184514.591706 s ] <<<<< ..
* Number of generators 10485750
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 10.670433 GB ] [ VIRT MEM : 23.218311 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 17454.741241 s ] [ CPU TIME: 2184514.837607 s ] <<<<< ..
* Number of selectors 10485750
* pt2_n_tasks_max 638
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.9040883933799568
Summary at N_det = 10485760
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.50068167
# PT2 -0.07215086 0.00014290
# rPT2 -0.07129726 0.00014121
#
# E+PT2 -209.57283253 0.00014290
# E+rPT2 -209.57197893 0.00014121
# ============ =============================
N_det = 10485760
N_states = 1
* State 1
< S^2 > = 5.736636123383850E-003
E = -209.500681673899
Variance = 0.450095613038707 +/- 8.825974531244689E-004
PT norm = 0.109418531121063 +/- 1.104790614553367E-004
PT2 = -7.215085886883167E-002 +/- 1.429036545891103E-004
rPT2 = -7.129725850502029E-002 +/- 1.412129940278965E-004
E+PT2 = -209.572832532768 +/- 1.429036545891103E-004
E+rPT2 = -209.571978932404 +/- 1.412129940278965E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.284931579508
Vee = 230.178567877191
Vecp = 0.000000000000000E+000
T = 209.330106161766
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.0801 -209.58346583
-0.0884 -209.58413893
-0.0963 -209.58477548
-0.1045 -209.58462896
-0.1133 -209.58498593
-0.1254 -209.58536440
-0.1458 -209.58558862
=========== ===================
* Number of unique alpha determinants 691435
* Number of unique beta determinants 691573
.. >>>>> [ RES MEM : 12.319107 GB ] [ VIRT MEM : 26.257301 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 17646.478370 s ] [ CPU TIME: 2204747.418423 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) 33.00516461580992
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.5006816739 0.005737 0.198E-02
1 -209.5109365163 0.005564 0.251E-03
2 -209.5111453664 0.005578 0.889E-05
3 -209.5111735453 0.005617 0.111E-05
4 -209.5111770263 0.005629 0.189E-06
5 -209.5111775956 0.005624 0.311E-07
6 -209.5111776921 0.005620 0.661E-08
7 -209.5111777121 0.005619 0.167E-08
8 -209.5111777169 0.005618 0.376E-09
9 -209.5111777181 0.005618 0.854E-10
====== ================ =========== ===========
.. >>>>> [ RES MEM : 33.273502 GB ] [ VIRT MEM : 54.442860 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 19100.894935 s ] [ CPU TIME: 2361886.532330 s ] <<<<< ..
.. >>>>> [ RES MEM : 12.179695 GB ] [ VIRT MEM : 26.083466 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 19102.573705 s ] [ CPU TIME: 2361888.574356 s ] <<<<< ..
* Energy of state 1 -209.5111777180655
* S^2 of state 1 0.5617537059906436E-02
* Saved determinants 20971520
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 12.171570 GB ] [ VIRT MEM : 26.083466 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 19199.692301 s ] [ CPU TIME: 2362865.128464 s ] <<<<< ..
* Number of generators 20971492
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 11.606533 GB ] [ VIRT MEM : 24.277767 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 19207.057033 s ] [ CPU TIME: 2363290.319700 s ] <<<<< ..
* Number of selectors 20971492
* pt2_n_tasks_max 638
* PT2 Energy denominator -209.5111777180655
.. >>>>> [ RES MEM : 14.784527 GB ] [ VIRT MEM : 27.621353 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 19218.709702 s ] [ CPU TIME: 2364458.975790 s ] <<<<< ..
* Number of generators 20971492
* Number of comb teeth 100
.. >>>>> [ RES MEM : 14.784527 GB ] [ VIRT MEM : 27.621353 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 19219.201232 s ] [ CPU TIME: 2364459.467232 s ] <<<<< ..
* Number of selectors 20971492
* pt2_n_tasks_max 638
* Number of tasks 21775401
* Number of fragmented tasks 18350
* Number of threads for PT2 128
* Memory (Gb) 38.97772928640246
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.576467 0.576E-02 0.416392 0.362E-01 0.010572 0.940E-03 1216.4091
4 -209.576424 0.386E-02 0.416955 0.243E-01 0.010552 0.630E-03 1519.0515
5 -209.575793 0.300E-02 0.413580 0.187E-01 0.010440 0.492E-03 1801.3617
6 -209.574743 0.265E-02 0.406569 0.168E-01 0.010278 0.431E-03 2084.5593
7 -209.575597 0.239E-02 0.411662 0.150E-01 0.010427 0.393E-03 2322.1895
8 -209.575000 0.215E-02 0.408059 0.134E-01 0.010323 0.355E-03 2600.1097
9 -209.574495 0.196E-02 0.404891 0.123E-01 0.010242 0.323E-03 2855.7634
10 -209.573901 0.185E-02 0.401242 0.116E-01 0.010145 0.305E-03 2919.0215
11 -209.574893 0.195E-02 0.408094 0.126E-01 0.010293 0.314E-03 2974.4137
12 -209.574753 0.179E-02 0.407582 0.115E-01 0.010263 0.287E-03 3168.9283
13 -209.574218 0.173E-02 0.404155 0.111E-01 0.010179 0.278E-03 3258.6222
14 -209.574246 0.160E-02 0.404284 0.102E-01 0.010182 0.257E-03 3474.3033
15 -209.574151 0.149E-02 0.403855 0.951E-02 0.010163 0.239E-03 3660.8754
17 -209.574079 0.132E-02 0.403126 0.848E-02 0.010158 0.213E-03 3727.7708
18 -209.574160 0.125E-02 0.403842 0.802E-02 0.010165 0.201E-03 3901.6680
19 -209.574072 0.118E-02 0.403549 0.758E-02 0.010145 0.191E-03 4126.9621
20 -209.574239 0.114E-02 0.404617 0.730E-02 0.010170 0.183E-03 4351.8303
21 -209.574210 0.108E-02 0.404860 0.694E-02 0.010155 0.174E-03 4368.6803
22 -209.573965 0.106E-02 0.403100 0.685E-02 0.010120 0.170E-03 4484.3962
23 -209.573863 0.102E-02 0.402545 0.656E-02 0.010101 0.163E-03 4550.0682
24 -209.574001 0.983E-03 0.403258 0.633E-02 0.010129 0.158E-03 4643.1208
25 -209.573760 0.974E-03 0.401878 0.623E-02 0.010087 0.158E-03 4689.9799
26 -209.573970 0.959E-03 0.403098 0.611E-02 0.010125 0.156E-03 4730.3777
27 -209.574052 0.926E-03 0.404016 0.594E-02 0.010130 0.150E-03 4938.6597
28 -209.574051 0.892E-03 0.404106 0.572E-02 0.010127 0.145E-03 5124.6232
29 -209.573938 0.868E-03 0.403275 0.558E-02 0.010111 0.141E-03 5309.0142
30 -209.573956 0.836E-03 0.403201 0.537E-02 0.010118 0.136E-03 5482.6688
31 -209.573822 0.820E-03 0.402434 0.525E-02 0.010094 0.134E-03 5513.2655
32 -209.573762 0.796E-03 0.402029 0.510E-02 0.010085 0.130E-03 5695.8731
33 -209.573662 0.778E-03 0.401402 0.498E-02 0.010069 0.127E-03 5758.7601
34 -209.573634 0.755E-03 0.401365 0.483E-02 0.010061 0.123E-03 5952.5202
35 -209.573832 0.756E-03 0.402394 0.478E-02 0.010099 0.125E-03 6013.6138
36 -209.574245 0.844E-03 0.404823 0.525E-02 0.010170 0.141E-03 6097.9748
37 -209.574399 0.836E-03 0.405652 0.517E-02 0.010200 0.140E-03 6149.0319
38 -209.574687 0.863E-03 0.407503 0.537E-02 0.010246 0.144E-03 6181.7075
39 -209.574599 0.846E-03 0.406976 0.526E-02 0.010231 0.141E-03 6226.6916
40 -209.574504 0.830E-03 0.406353 0.516E-02 0.010216 0.139E-03 6284.9832
41 -209.574472 0.810E-03 0.406133 0.504E-02 0.010211 0.135E-03 6437.1361
42 -209.574358 0.799E-03 0.405401 0.497E-02 0.010193 0.133E-03 6583.4286
43 -209.574490 0.791E-03 0.406181 0.492E-02 0.010214 0.132E-03 6741.6971
44 -209.574442 0.772E-03 0.405947 0.480E-02 0.010205 0.129E-03 6770.0535
45 -209.574477 0.756E-03 0.406057 0.469E-02 0.010213 0.126E-03 6855.9943
46 -209.574362 0.748E-03 0.405312 0.465E-02 0.010194 0.125E-03 6866.4649
47 -209.574359 0.733E-03 0.405345 0.455E-02 0.010194 0.122E-03 7022.7469
48 -209.574562 0.746E-03 0.406544 0.462E-02 0.010228 0.124E-03 7059.6925
49 -209.574902 0.806E-03 0.408849 0.508E-02 0.010279 0.132E-03 7121.8523
50 -209.575026 0.798E-03 0.409669 0.503E-02 0.010297 0.131E-03 7201.1240
51 -209.574978 0.784E-03 0.409351 0.494E-02 0.010290 0.128E-03 7258.4722
52 -209.574970 0.769E-03 0.409262 0.485E-02 0.010290 0.126E-03 7323.6411
53 -209.574959 0.754E-03 0.408977 0.476E-02 0.010293 0.124E-03 7358.2181
54 -209.574953 0.740E-03 0.409027 0.467E-02 0.010290 0.121E-03 7412.7028
55 -209.574779 0.747E-03 0.407898 0.473E-02 0.010263 0.122E-03 7458.1986
56 -209.574835 0.736E-03 0.408312 0.466E-02 0.010271 0.120E-03 7498.7354
57 -209.574809 0.725E-03 0.408128 0.459E-02 0.010268 0.118E-03 7507.0694
58 -209.574960 0.728E-03 0.409135 0.462E-02 0.010291 0.119E-03 7603.1243
59 -209.574886 0.719E-03 0.408624 0.457E-02 0.010281 0.117E-03 7620.9613
60 -209.574845 0.708E-03 0.408349 0.450E-02 0.010274 0.115E-03 7662.8975
61 -209.574700 0.711E-03 0.407365 0.453E-02 0.010252 0.115E-03 7706.3297
62 -209.574794 0.706E-03 0.407850 0.449E-02 0.010271 0.115E-03 7743.2716
63 -209.574786 0.695E-03 0.407853 0.441E-02 0.010268 0.113E-03 7835.0938
64 -209.574786 0.684E-03 0.407759 0.435E-02 0.010270 0.112E-03 7840.1106
65 -209.574690 0.680E-03 0.407200 0.431E-02 0.010254 0.111E-03 7884.2446
67 -209.574688 0.663E-03 0.407076 0.422E-02 0.010255 0.108E-03 7920.7040
68 -209.574616 0.657E-03 0.406608 0.418E-02 0.010243 0.107E-03 7966.8514
69 -209.574564 0.650E-03 0.406326 0.413E-02 0.010234 0.106E-03 8026.9497
70 -209.574497 0.644E-03 0.405889 0.410E-02 0.010223 0.105E-03 8030.1062
71 -209.574465 0.636E-03 0.405767 0.404E-02 0.010216 0.104E-03 8094.5267
72 -209.574417 0.629E-03 0.405543 0.399E-02 0.010206 0.103E-03 8113.3005
73 -209.574420 0.620E-03 0.405553 0.393E-02 0.010207 0.101E-03 8169.9586
74 -209.574422 0.610E-03 0.405549 0.388E-02 0.010207 0.996E-04 8256.3559
75 -209.574407 0.602E-03 0.405466 0.383E-02 0.010204 0.984E-04 8271.2705
76 -209.574452 0.596E-03 0.405696 0.378E-02 0.010213 0.975E-04 8319.3281
77 -209.574453 0.588E-03 0.405762 0.373E-02 0.010212 0.962E-04 8387.7302
78 -209.574492 0.582E-03 0.406007 0.369E-02 0.010218 0.952E-04 8424.9681
79 -209.574514 0.575E-03 0.406099 0.365E-02 0.010223 0.940E-04 8448.3246
80 -209.574542 0.568E-03 0.406375 0.361E-02 0.010225 0.929E-04 8542.9198
81 -209.574461 0.566E-03 0.405885 0.359E-02 0.010211 0.926E-04 8561.7297
82 -209.574407 0.562E-03 0.405527 0.357E-02 0.010202 0.919E-04 8613.4145
83 -209.574353 0.557E-03 0.405190 0.354E-02 0.010194 0.912E-04 8624.0172
84 -209.574334 0.551E-03 0.405068 0.350E-02 0.010190 0.902E-04 8705.2023
85 -209.574350 0.545E-03 0.405215 0.346E-02 0.010192 0.891E-04 8715.5392
86 -209.574326 0.539E-03 0.405239 0.342E-02 0.010184 0.884E-04 8763.0923
87 -209.574262 0.536E-03 0.404817 0.341E-02 0.010174 0.880E-04 8846.3786
88 -209.574272 0.530E-03 0.404913 0.337E-02 0.010175 0.870E-04 8852.2236
89 -209.574323 0.529E-03 0.405243 0.336E-02 0.010183 0.868E-04 8892.1340
90 -209.574385 0.527E-03 0.405694 0.335E-02 0.010191 0.862E-04 8922.4587
91 -209.574329 0.524E-03 0.405385 0.333E-02 0.010181 0.858E-04 9007.7736
92 -209.574368 0.519E-03 0.405668 0.330E-02 0.010187 0.851E-04 9050.2848
93 -209.574400 0.515E-03 0.405892 0.327E-02 0.010191 0.843E-04 9089.2936
94 -209.574378 0.510E-03 0.405801 0.324E-02 0.010187 0.835E-04 9092.4455
95 -209.574392 0.505E-03 0.405893 0.321E-02 0.010188 0.826E-04 9125.7260
96 -209.574449 0.503E-03 0.406419 0.322E-02 0.010194 0.820E-04 9175.5892
97 -209.574390 0.502E-03 0.406036 0.321E-02 0.010184 0.818E-04 9219.4551
98 -209.574356 0.498E-03 0.405789 0.319E-02 0.010179 0.811E-04 9259.5440
99 -209.574297 0.496E-03 0.405406 0.318E-02 0.010170 0.809E-04 9269.7052
100 -209.574356 0.495E-03 0.405839 0.318E-02 0.010178 0.805E-04 9305.7961
101 -209.574300 0.493E-03 0.405518 0.316E-02 0.010168 0.803E-04 9330.5288
102 -209.574271 0.489E-03 0.405301 0.314E-02 0.010164 0.796E-04 9341.5581
103 -209.574292 0.484E-03 0.405489 0.311E-02 0.010166 0.789E-04 9427.8963
104 -209.574305 0.480E-03 0.405567 0.308E-02 0.010168 0.782E-04 9470.8344
105 -209.574276 0.476E-03 0.405428 0.305E-02 0.010163 0.776E-04 9517.6777
106 -209.574287 0.472E-03 0.405420 0.302E-02 0.010166 0.770E-04 9533.6545
107 -209.574278 0.467E-03 0.405421 0.299E-02 0.010164 0.763E-04 9539.8272
108 -209.574255 0.463E-03 0.405287 0.297E-02 0.010160 0.757E-04 9543.8872
109 -209.574303 0.462E-03 0.405613 0.296E-02 0.010167 0.753E-04 9559.0924
110 -209.574354 0.460E-03 0.406013 0.296E-02 0.010174 0.749E-04 9576.7014
111 -209.574322 0.457E-03 0.405771 0.294E-02 0.010170 0.744E-04 9629.5307
112 -209.574385 0.456E-03 0.406047 0.292E-02 0.010183 0.747E-04 9631.7096
113 -209.574390 0.452E-03 0.406059 0.289E-02 0.010184 0.740E-04 9665.8877
114 -209.574402 0.448E-03 0.406132 0.287E-02 0.010186 0.734E-04 9712.6084
115 -209.574440 0.446E-03 0.406428 0.286E-02 0.010191 0.729E-04 9732.4403
117 -209.574498 0.441E-03 0.406724 0.282E-02 0.010202 0.723E-04 9753.5530
119 -209.574487 0.434E-03 0.406698 0.277E-02 0.010199 0.711E-04 9785.2696
120 -209.574553 0.435E-03 0.407128 0.278E-02 0.010209 0.712E-04 9830.0277
121 -209.574525 0.432E-03 0.407033 0.276E-02 0.010204 0.709E-04 9840.3018
122 -209.574594 0.434E-03 0.407368 0.276E-02 0.010217 0.716E-04 9873.6439
123 -209.574555 0.432E-03 0.407093 0.275E-02 0.010212 0.712E-04 9910.5441
124 -209.574558 0.429E-03 0.407071 0.273E-02 0.010213 0.708E-04 9928.3908
125 -209.574616 0.430E-03 0.407482 0.274E-02 0.010221 0.707E-04 9998.0914
126 -209.574639 0.427E-03 0.407660 0.272E-02 0.010224 0.702E-04 10016.6054
127 -209.574632 0.424E-03 0.407627 0.270E-02 0.010223 0.697E-04 10049.6413
128 -209.574624 0.420E-03 0.407553 0.268E-02 0.010222 0.691E-04 10086.0442
129 -209.574655 0.418E-03 0.407773 0.267E-02 0.010226 0.687E-04 10090.2981
131 -209.574635 0.414E-03 0.407600 0.265E-02 0.010224 0.678E-04 10106.7173
132 -209.574662 0.412E-03 0.407690 0.263E-02 0.010231 0.676E-04 10138.9464
134 -209.574716 0.410E-03 0.408023 0.261E-02 0.010239 0.674E-04 10174.7014
135 -209.574677 0.409E-03 0.407790 0.260E-02 0.010233 0.672E-04 10194.6117
136 -209.574638 0.407E-03 0.407469 0.261E-02 0.010228 0.669E-04 10226.4760
137 -209.574676 0.406E-03 0.407623 0.259E-02 0.010237 0.669E-04 10267.6718
138 -209.574607 0.409E-03 0.407190 0.261E-02 0.010226 0.674E-04 10279.4977
139 -209.574640 0.408E-03 0.407386 0.260E-02 0.010231 0.671E-04 10315.0984
141 -209.574688 0.404E-03 0.407815 0.258E-02 0.010236 0.663E-04 10341.1389
142 -209.574742 0.404E-03 0.408154 0.258E-02 0.010245 0.664E-04 10366.7223
143 -209.574765 0.402E-03 0.408319 0.257E-02 0.010248 0.660E-04 10430.8280
144 -209.574749 0.400E-03 0.408246 0.255E-02 0.010245 0.657E-04 10438.2502
145 -209.574777 0.398E-03 0.408447 0.254E-02 0.010249 0.653E-04 10444.9916
146 -209.574781 0.395E-03 0.408431 0.253E-02 0.010250 0.649E-04 10453.9382
147 -209.574803 0.393E-03 0.408588 0.251E-02 0.010254 0.645E-04 10510.7961
148 -209.574805 0.390E-03 0.408559 0.250E-02 0.010255 0.641E-04 10531.1918
149 -209.574836 0.389E-03 0.408727 0.249E-02 0.010261 0.639E-04 10544.6074
150 -209.574852 0.386E-03 0.408931 0.246E-02 0.010261 0.635E-04 10573.0895
151 -209.574848 0.383E-03 0.408889 0.244E-02 0.010260 0.630E-04 10604.0914
152 -209.574852 0.381E-03 0.408962 0.243E-02 0.010260 0.626E-04 10627.5029
153 -209.574928 0.386E-03 0.409415 0.246E-02 0.010273 0.636E-04 10666.9723
154 -209.574970 0.385E-03 0.409716 0.246E-02 0.010279 0.634E-04 10704.7063
155 -209.574957 0.383E-03 0.409609 0.244E-02 0.010277 0.630E-04 10747.9471
156 -209.574971 0.381E-03 0.409720 0.243E-02 0.010279 0.627E-04 10765.4434
157 -209.574948 0.379E-03 0.409561 0.242E-02 0.010276 0.624E-04 10788.7533
158 -209.575014 0.383E-03 0.410008 0.245E-02 0.010286 0.628E-04 10801.2231
159 -209.575024 0.380E-03 0.410071 0.243E-02 0.010287 0.624E-04 10840.1992
160 -209.575018 0.378E-03 0.410034 0.242E-02 0.010286 0.621E-04 10874.7359
162 -209.575054 0.375E-03 0.410333 0.240E-02 0.010291 0.614E-04 10886.8630
163 -209.575042 0.372E-03 0.410262 0.239E-02 0.010288 0.610E-04 10941.3979
165 -209.575073 0.371E-03 0.410452 0.238E-02 0.010293 0.608E-04 10974.9676
168 -209.575035 0.367E-03 0.410276 0.235E-02 0.010286 0.602E-04 11017.6311
169 -209.575034 0.365E-03 0.410250 0.234E-02 0.010286 0.598E-04 11047.7621
170 -209.575020 0.363E-03 0.410122 0.233E-02 0.010285 0.595E-04 11096.7826
171 -209.574963 0.365E-03 0.409755 0.234E-02 0.010275 0.599E-04 11124.1000
172 -209.574977 0.364E-03 0.409853 0.233E-02 0.010278 0.595E-04 11151.6706
174 -209.574996 0.362E-03 0.409959 0.233E-02 0.010281 0.592E-04 11192.7502
175 -209.574968 0.361E-03 0.409751 0.232E-02 0.010277 0.590E-04 11222.5967
176 -209.574976 0.360E-03 0.409812 0.231E-02 0.010278 0.587E-04 11241.1999
177 -209.574972 0.358E-03 0.409814 0.230E-02 0.010277 0.584E-04 11278.5022
179 -209.574929 0.355E-03 0.409528 0.228E-02 0.010271 0.579E-04 11302.3993
180 -209.574868 0.356E-03 0.409128 0.228E-02 0.010261 0.581E-04 11311.0358
181 -209.574866 0.354E-03 0.409125 0.227E-02 0.010261 0.578E-04 11328.3068
182 -209.574826 0.354E-03 0.408897 0.227E-02 0.010254 0.579E-04 11382.6846
183 -209.574812 0.352E-03 0.408835 0.226E-02 0.010251 0.577E-04 11384.3510
184 -209.574845 0.352E-03 0.409042 0.226E-02 0.010256 0.576E-04 11389.6888
185 -209.574810 0.352E-03 0.408808 0.226E-02 0.010251 0.575E-04 11396.8363
186 -209.574891 0.359E-03 0.409321 0.230E-02 0.010264 0.587E-04 11415.4677
188 -209.574947 0.358E-03 0.409533 0.228E-02 0.010276 0.589E-04 11451.2830
189 -209.574940 0.356E-03 0.409444 0.227E-02 0.010276 0.586E-04 11482.2495
190 -209.574907 0.356E-03 0.409236 0.227E-02 0.010271 0.584E-04 11502.7548
191 -209.574898 0.354E-03 0.409202 0.226E-02 0.010269 0.582E-04 11537.0438
192 -209.574856 0.355E-03 0.408951 0.226E-02 0.010262 0.583E-04 11568.2311
193 -209.574858 0.353E-03 0.408991 0.225E-02 0.010261 0.580E-04 11589.9232
194 -209.574862 0.351E-03 0.409066 0.224E-02 0.010261 0.577E-04 11622.9977
195 -209.574858 0.349E-03 0.409080 0.223E-02 0.010259 0.574E-04 11650.5030
196 -209.574859 0.348E-03 0.409105 0.222E-02 0.010259 0.571E-04 11655.1627
197 -209.574825 0.348E-03 0.408862 0.222E-02 0.010254 0.570E-04 11679.1018
198 -209.574838 0.346E-03 0.408971 0.221E-02 0.010256 0.568E-04 11710.2018
201 -209.574888 0.343E-03 0.409362 0.219E-02 0.010262 0.562E-04 11743.4685
203 -209.574930 0.341E-03 0.409607 0.218E-02 0.010269 0.559E-04 11766.4788
205 -209.574937 0.338E-03 0.409647 0.216E-02 0.010270 0.554E-04 11798.6253
207 -209.574968 0.337E-03 0.409865 0.215E-02 0.010275 0.552E-04 11830.0469
208 -209.574938 0.336E-03 0.409688 0.215E-02 0.010270 0.552E-04 11853.1992
212 -209.574969 0.332E-03 0.409856 0.212E-02 0.010276 0.545E-04 11884.5880
213 -209.574948 0.332E-03 0.409736 0.212E-02 0.010272 0.545E-04 11916.2270
215 -209.574974 0.329E-03 0.409902 0.210E-02 0.010276 0.541E-04 11945.6312
216 -209.575023 0.331E-03 0.410255 0.212E-02 0.010283 0.543E-04 11991.0866
217 -209.574996 0.331E-03 0.410075 0.212E-02 0.010279 0.542E-04 12003.2895
218 -209.574976 0.330E-03 0.409937 0.211E-02 0.010276 0.541E-04 12027.5044
220 -209.574968 0.329E-03 0.409871 0.211E-02 0.010275 0.537E-04 12059.2476
221 -209.574942 0.328E-03 0.409714 0.210E-02 0.010270 0.537E-04 12089.9808
223 -209.574926 0.326E-03 0.409601 0.209E-02 0.010268 0.533E-04 12113.7402
224 -209.574907 0.325E-03 0.409490 0.208E-02 0.010265 0.531E-04 12147.6833
226 -209.574942 0.323E-03 0.409661 0.207E-02 0.010272 0.530E-04 12173.8303
227 -209.574904 0.322E-03 0.409392 0.206E-02 0.010267 0.528E-04 12176.5952
228 -209.574903 0.321E-03 0.409393 0.205E-02 0.010266 0.526E-04 12202.6892
229 -209.574880 0.321E-03 0.409223 0.205E-02 0.010263 0.525E-04 12258.8704
230 -209.574909 0.320E-03 0.409384 0.205E-02 0.010269 0.525E-04 12262.1758
231 -209.574902 0.319E-03 0.409340 0.204E-02 0.010268 0.523E-04 12289.6586
232 -209.574915 0.318E-03 0.409423 0.203E-02 0.010270 0.521E-04 12322.3734
233 -209.574927 0.317E-03 0.409491 0.203E-02 0.010272 0.520E-04 12333.4225
234 -209.574889 0.318E-03 0.409242 0.203E-02 0.010266 0.521E-04 12347.7854
235 -209.574877 0.317E-03 0.409190 0.203E-02 0.010263 0.519E-04 12377.2998
238 -209.574885 0.314E-03 0.409244 0.201E-02 0.010264 0.514E-04 12403.8634
239 -209.574912 0.314E-03 0.409400 0.201E-02 0.010269 0.514E-04 12420.2634
240 -209.574910 0.312E-03 0.409365 0.200E-02 0.010269 0.512E-04 12425.0356
241 -209.574946 0.313E-03 0.409557 0.200E-02 0.010276 0.514E-04 12433.0349
242 -209.574923 0.313E-03 0.409398 0.200E-02 0.010273 0.513E-04 12463.6797
244 -209.574908 0.310E-03 0.409312 0.198E-02 0.010270 0.510E-04 12493.5264
245 -209.574895 0.309E-03 0.409229 0.198E-02 0.010267 0.508E-04 12511.2356
247 -209.574867 0.308E-03 0.409031 0.197E-02 0.010264 0.505E-04 12519.2373
248 -209.574849 0.307E-03 0.408886 0.197E-02 0.010261 0.503E-04 12549.6112
250 -209.574829 0.305E-03 0.408765 0.195E-02 0.010258 0.500E-04 12580.5820
251 -209.574829 0.304E-03 0.408758 0.194E-02 0.010258 0.498E-04 12605.6500
253 -209.574837 0.302E-03 0.408810 0.193E-02 0.010259 0.495E-04 12635.6106
255 -209.574799 0.300E-03 0.408522 0.192E-02 0.010254 0.493E-04 12679.5873
256 -209.574802 0.299E-03 0.408499 0.191E-02 0.010256 0.492E-04 12685.4691
257 -209.574792 0.298E-03 0.408451 0.190E-02 0.010254 0.490E-04 12692.9873
258 -209.574785 0.297E-03 0.408418 0.190E-02 0.010252 0.488E-04 12724.6108
259 -209.574794 0.296E-03 0.408466 0.189E-02 0.010254 0.487E-04 12753.1650
260 -209.574790 0.295E-03 0.408450 0.188E-02 0.010253 0.485E-04 12779.1684
263 -209.574806 0.294E-03 0.408498 0.187E-02 0.010257 0.484E-04 12812.9450
264 -209.574820 0.293E-03 0.408588 0.187E-02 0.010259 0.482E-04 12852.8475
265 -209.574807 0.292E-03 0.408513 0.186E-02 0.010257 0.481E-04 12865.0321
267 -209.574816 0.291E-03 0.408510 0.186E-02 0.010260 0.480E-04 12900.2586
269 -209.574844 0.290E-03 0.408689 0.185E-02 0.010265 0.479E-04 12925.8227
270 -209.574830 0.289E-03 0.408592 0.184E-02 0.010263 0.477E-04 12952.0714
272 -209.574838 0.287E-03 0.408683 0.183E-02 0.010263 0.474E-04 12986.6969
274 -209.574838 0.286E-03 0.408682 0.183E-02 0.010263 0.471E-04 13009.3699
275 -209.574829 0.285E-03 0.408624 0.182E-02 0.010262 0.470E-04 13032.1883
276 -209.574856 0.285E-03 0.408809 0.182E-02 0.010266 0.470E-04 13037.7891
277 -209.574832 0.285E-03 0.408647 0.182E-02 0.010262 0.470E-04 13073.1324
278 -209.574807 0.286E-03 0.408477 0.182E-02 0.010258 0.470E-04 13079.6953
279 -209.574813 0.286E-03 0.408579 0.183E-02 0.010257 0.470E-04 13096.2262
280 -209.574813 0.285E-03 0.408590 0.182E-02 0.010257 0.468E-04 13110.2718
281 -209.574809 0.284E-03 0.408574 0.181E-02 0.010256 0.466E-04 13124.8810
284 -209.574862 0.284E-03 0.408904 0.181E-02 0.010265 0.468E-04 13159.9441
287 -209.574854 0.282E-03 0.408830 0.180E-02 0.010264 0.464E-04 13200.8069
288 -209.574858 0.281E-03 0.408849 0.179E-02 0.010265 0.462E-04 13211.7989
289 -209.574851 0.280E-03 0.408774 0.179E-02 0.010264 0.460E-04 13213.1346
290 -209.574859 0.279E-03 0.408822 0.178E-02 0.010266 0.459E-04 13247.6375
292 -209.574865 0.279E-03 0.408849 0.178E-02 0.010267 0.459E-04 13268.0063
293 -209.574893 0.280E-03 0.409012 0.178E-02 0.010272 0.461E-04 13296.6890
294 -209.574899 0.279E-03 0.409060 0.177E-02 0.010273 0.460E-04 13334.5191
297 -209.574870 0.277E-03 0.408878 0.176E-02 0.010268 0.457E-04 13367.7009
298 -209.574858 0.276E-03 0.408810 0.176E-02 0.010266 0.456E-04 13381.6295
300 -209.574870 0.275E-03 0.408863 0.175E-02 0.010268 0.454E-04 13419.9799
302 -209.574925 0.276E-03 0.409206 0.175E-02 0.010277 0.456E-04 13441.3350
303 -209.574929 0.275E-03 0.409218 0.175E-02 0.010278 0.454E-04 13453.3277
304 -209.574955 0.275E-03 0.409347 0.175E-02 0.010283 0.455E-04 13462.2606
305 -209.574943 0.275E-03 0.409266 0.174E-02 0.010281 0.454E-04 13466.6647
306 -209.574944 0.274E-03 0.409313 0.174E-02 0.010281 0.453E-04 13472.8500
307 -209.574928 0.273E-03 0.409206 0.173E-02 0.010278 0.452E-04 13528.3307
308 -209.574913 0.273E-03 0.409098 0.173E-02 0.010276 0.451E-04 13547.0425
310 -209.574904 0.272E-03 0.409029 0.173E-02 0.010274 0.449E-04 13553.1339
311 -209.574914 0.271E-03 0.409107 0.172E-02 0.010276 0.448E-04 13593.4891
312 -209.574919 0.270E-03 0.409169 0.171E-02 0.010276 0.446E-04 13616.0178
313 -209.574926 0.269E-03 0.409232 0.171E-02 0.010276 0.445E-04 13631.9824
314 -209.574928 0.268E-03 0.409262 0.170E-02 0.010276 0.443E-04 13633.2353
316 -209.574914 0.268E-03 0.409148 0.170E-02 0.010274 0.442E-04 13644.8588
317 -209.574933 0.268E-03 0.409300 0.170E-02 0.010277 0.442E-04 13691.6931
318 -209.574921 0.267E-03 0.409226 0.170E-02 0.010275 0.441E-04 13700.8882
319 -209.574947 0.267E-03 0.409395 0.170E-02 0.010279 0.441E-04 13720.0758
322 -209.574972 0.267E-03 0.409545 0.170E-02 0.010283 0.441E-04 13762.5546
324 -209.574984 0.266E-03 0.409654 0.170E-02 0.010285 0.439E-04 13777.8455
325 -209.575010 0.267E-03 0.409799 0.170E-02 0.010289 0.440E-04 13802.1971
327 -209.575005 0.265E-03 0.409737 0.169E-02 0.010289 0.438E-04 13803.7454
328 -209.575007 0.264E-03 0.409740 0.168E-02 0.010290 0.436E-04 13805.4650
329 -209.574984 0.265E-03 0.409587 0.168E-02 0.010286 0.436E-04 13860.8132
330 -209.575006 0.262E-03 0.409755 0.167E-02 0.010289 0.432E-04 13871.2579
331 -209.575013 0.262E-03 0.409801 0.167E-02 0.010290 0.431E-04 13889.0402
335 -209.575015 0.260E-03 0.409795 0.166E-02 0.010291 0.428E-04 13890.5877
336 -209.575020 0.259E-03 0.409838 0.165E-02 0.010292 0.427E-04 13895.4103
337 -209.575053 0.261E-03 0.410041 0.166E-02 0.010297 0.430E-04 13901.2304
338 -209.575028 0.261E-03 0.409885 0.166E-02 0.010293 0.431E-04 13933.7607
340 -209.575016 0.261E-03 0.409791 0.166E-02 0.010292 0.431E-04 13944.8431
342 -209.575006 0.260E-03 0.409749 0.165E-02 0.010290 0.429E-04 13974.6896
344 -209.575014 0.260E-03 0.409786 0.165E-02 0.010291 0.430E-04 13978.8774
345 -209.575022 0.260E-03 0.409805 0.165E-02 0.010293 0.429E-04 13990.8127
346 -209.575022 0.259E-03 0.409784 0.165E-02 0.010294 0.428E-04 14030.8735
347 -209.575007 0.259E-03 0.409698 0.164E-02 0.010291 0.428E-04 14061.2062
351 -209.574984 0.258E-03 0.409583 0.164E-02 0.010287 0.426E-04 14074.7779
352 -209.574967 0.258E-03 0.409453 0.164E-02 0.010284 0.426E-04 14115.7823
353 -209.574960 0.257E-03 0.409416 0.164E-02 0.010283 0.425E-04 14135.9822
356 -209.574942 0.256E-03 0.409317 0.163E-02 0.010280 0.422E-04 14145.4280
358 -209.574935 0.254E-03 0.409274 0.162E-02 0.010279 0.419E-04 14150.6058
359 -209.574941 0.254E-03 0.409311 0.161E-02 0.010280 0.418E-04 14201.0283
361 -209.574925 0.252E-03 0.409134 0.160E-02 0.010279 0.415E-04 14230.0707
363 -209.574922 0.251E-03 0.409112 0.160E-02 0.010279 0.413E-04 14238.9269
364 -209.574925 0.250E-03 0.409127 0.159E-02 0.010279 0.412E-04 14286.0358
367 -209.574928 0.248E-03 0.409129 0.158E-02 0.010281 0.409E-04 14307.7202
368 -209.574918 0.248E-03 0.409065 0.158E-02 0.010279 0.408E-04 14316.5333
371 -209.574901 0.246E-03 0.408963 0.157E-02 0.010276 0.406E-04 14362.2268
372 -209.574913 0.246E-03 0.409023 0.156E-02 0.010279 0.406E-04 14387.7857
373 -209.574921 0.245E-03 0.409057 0.156E-02 0.010280 0.405E-04 14403.8893
377 -209.574901 0.244E-03 0.408914 0.155E-02 0.010277 0.403E-04 14406.8739
378 -209.574903 0.243E-03 0.408919 0.155E-02 0.010278 0.402E-04 14459.2826
379 -209.574903 0.243E-03 0.408921 0.154E-02 0.010278 0.401E-04 14474.1410
380 -209.574895 0.242E-03 0.408885 0.154E-02 0.010276 0.400E-04 14490.2583
382 -209.574875 0.241E-03 0.408775 0.153E-02 0.010273 0.398E-04 14493.9890
383 -209.574872 0.240E-03 0.408787 0.152E-02 0.010272 0.397E-04 14508.2207
384 -209.574869 0.240E-03 0.408761 0.152E-02 0.010271 0.396E-04 14544.9364
385 -209.574882 0.239E-03 0.408846 0.152E-02 0.010273 0.396E-04 14570.3688
386 -209.574879 0.239E-03 0.408835 0.151E-02 0.010272 0.395E-04 14575.3440
388 -209.574883 0.238E-03 0.408873 0.151E-02 0.010273 0.393E-04 14597.0030
389 -209.574864 0.238E-03 0.408742 0.151E-02 0.010270 0.393E-04 14637.6952
392 -209.574808 0.239E-03 0.408364 0.152E-02 0.010261 0.394E-04 14650.1719
393 -209.574809 0.238E-03 0.408371 0.151E-02 0.010262 0.393E-04 14660.5868
394 -209.574796 0.238E-03 0.408290 0.151E-02 0.010259 0.393E-04 14664.6938
395 -209.574791 0.237E-03 0.408263 0.151E-02 0.010258 0.392E-04 14707.9640
398 -209.574796 0.236E-03 0.408306 0.150E-02 0.010259 0.389E-04 14737.5700
399 -209.574803 0.235E-03 0.408345 0.150E-02 0.010260 0.389E-04 14738.6419
400 -209.574785 0.235E-03 0.408233 0.150E-02 0.010257 0.389E-04 14745.6308
402 -209.574802 0.235E-03 0.408335 0.149E-02 0.010260 0.387E-04 14750.2863
403 -209.574795 0.235E-03 0.408305 0.149E-02 0.010258 0.387E-04 14795.6181
404 -209.574786 0.234E-03 0.408253 0.149E-02 0.010257 0.386E-04 14805.1551
405 -209.574791 0.234E-03 0.408300 0.149E-02 0.010257 0.385E-04 14827.4629
406 -209.574813 0.234E-03 0.408480 0.150E-02 0.010260 0.386E-04 14831.7975
409 -209.574793 0.233E-03 0.408353 0.149E-02 0.010257 0.383E-04 14843.6295
410 -209.574785 0.233E-03 0.408305 0.148E-02 0.010255 0.383E-04 14880.8934
411 -209.574768 0.233E-03 0.408197 0.148E-02 0.010253 0.383E-04 14912.4723
413 -209.574767 0.232E-03 0.408182 0.148E-02 0.010252 0.381E-04 14916.5640
418 -209.574754 0.229E-03 0.408114 0.146E-02 0.010250 0.377E-04 14929.6231
419 -209.574752 0.229E-03 0.408103 0.146E-02 0.010250 0.376E-04 14932.4967
420 -209.574745 0.228E-03 0.408076 0.145E-02 0.010248 0.375E-04 14976.4838
421 -209.574742 0.228E-03 0.408070 0.145E-02 0.010247 0.375E-04 15009.6250
424 -209.574727 0.227E-03 0.407969 0.145E-02 0.010245 0.373E-04 15017.3451
425 -209.574714 0.226E-03 0.407875 0.145E-02 0.010243 0.372E-04 15051.8883
427 -209.574686 0.226E-03 0.407703 0.144E-02 0.010238 0.372E-04 15062.4350
428 -209.574679 0.225E-03 0.407689 0.143E-02 0.010236 0.370E-04 15073.1982
429 -209.574683 0.224E-03 0.407703 0.143E-02 0.010237 0.370E-04 15093.2663
432 -209.574666 0.223E-03 0.407563 0.142E-02 0.010236 0.368E-04 15107.8392
433 -209.574668 0.223E-03 0.407581 0.142E-02 0.010236 0.367E-04 15136.9231
434 -209.574659 0.222E-03 0.407525 0.142E-02 0.010234 0.367E-04 15147.4798
436 -209.574650 0.222E-03 0.407452 0.141E-02 0.010233 0.365E-04 15159.0908
437 -209.574648 0.221E-03 0.407449 0.141E-02 0.010233 0.364E-04 15171.6759
438 -209.574643 0.221E-03 0.407414 0.141E-02 0.010232 0.363E-04 15180.0427
440 -209.574628 0.220E-03 0.407315 0.140E-02 0.010230 0.363E-04 15185.5464
441 -209.574629 0.220E-03 0.407313 0.140E-02 0.010230 0.362E-04 15221.8481
442 -209.574651 0.220E-03 0.407453 0.141E-02 0.010233 0.363E-04 15244.4749
443 -209.574652 0.220E-03 0.407459 0.140E-02 0.010234 0.362E-04 15249.6638
444 -209.574639 0.220E-03 0.407366 0.140E-02 0.010232 0.361E-04 15258.7210
445 -209.574636 0.219E-03 0.407358 0.140E-02 0.010231 0.361E-04 15264.5909
449 -209.574629 0.219E-03 0.407316 0.140E-02 0.010230 0.359E-04 15265.9370
450 -209.574644 0.219E-03 0.407382 0.140E-02 0.010233 0.360E-04 15272.8356
451 -209.574643 0.218E-03 0.407381 0.139E-02 0.010233 0.359E-04 15275.2755
452 -209.574628 0.218E-03 0.407290 0.139E-02 0.010230 0.359E-04 15316.6538
453 -209.574629 0.218E-03 0.407309 0.139E-02 0.010230 0.358E-04 15333.6579
454 -209.574633 0.217E-03 0.407336 0.139E-02 0.010231 0.358E-04 15350.1041
457 -209.574644 0.216E-03 0.407403 0.138E-02 0.010232 0.356E-04 15365.9200
458 -209.574643 0.216E-03 0.407410 0.138E-02 0.010232 0.355E-04 15392.7603
459 -209.574640 0.215E-03 0.407399 0.137E-02 0.010231 0.354E-04 15402.1298
462 -209.574650 0.215E-03 0.407446 0.137E-02 0.010233 0.354E-04 15436.5423
469 -209.574651 0.214E-03 0.407448 0.136E-02 0.010233 0.352E-04 15448.2050
470 -209.574644 0.213E-03 0.407408 0.136E-02 0.010232 0.351E-04 15451.1864
471 -209.574642 0.213E-03 0.407426 0.136E-02 0.010231 0.351E-04 15488.8540
473 -209.574674 0.214E-03 0.407608 0.136E-02 0.010237 0.354E-04 15504.7894
474 -209.574671 0.214E-03 0.407571 0.136E-02 0.010237 0.353E-04 15522.5334
479 -209.574685 0.212E-03 0.407658 0.135E-02 0.010239 0.349E-04 15531.7838
480 -209.574682 0.211E-03 0.407665 0.134E-02 0.010238 0.349E-04 15535.0148
481 -209.574696 0.211E-03 0.407753 0.134E-02 0.010240 0.349E-04 15582.0799
482 -209.574694 0.211E-03 0.407748 0.134E-02 0.010240 0.348E-04 15594.0149
483 -209.574690 0.210E-03 0.407733 0.134E-02 0.010239 0.348E-04 15609.3843
485 -209.574694 0.210E-03 0.407757 0.134E-02 0.010240 0.347E-04 15613.2999
487 -209.574723 0.210E-03 0.407944 0.133E-02 0.010244 0.347E-04 15661.6004
489 -209.574716 0.209E-03 0.407912 0.133E-02 0.010243 0.346E-04 15681.3033
490 -209.574709 0.209E-03 0.407863 0.133E-02 0.010242 0.345E-04 15694.5737
493 -209.574707 0.209E-03 0.407866 0.132E-02 0.010241 0.345E-04 15710.6071
494 -209.574715 0.208E-03 0.407909 0.132E-02 0.010242 0.344E-04 15747.3641
495 -209.574709 0.208E-03 0.407864 0.132E-02 0.010242 0.344E-04 15759.7186
496 -209.574698 0.208E-03 0.407791 0.132E-02 0.010240 0.344E-04 15778.1140
502 -209.574667 0.206E-03 0.407622 0.131E-02 0.010234 0.341E-04 15784.9964
503 -209.574653 0.206E-03 0.407523 0.131E-02 0.010232 0.341E-04 15792.5555
504 -209.574636 0.207E-03 0.407416 0.131E-02 0.010230 0.341E-04 15800.5117
505 -209.574631 0.206E-03 0.407367 0.131E-02 0.010229 0.341E-04 15831.2647
506 -209.574634 0.206E-03 0.407384 0.131E-02 0.010230 0.340E-04 15838.9445
507 -209.574629 0.205E-03 0.407350 0.131E-02 0.010229 0.339E-04 15844.4904
508 -209.574623 0.205E-03 0.407315 0.130E-02 0.010228 0.339E-04 15852.4689
511 -209.574638 0.204E-03 0.407409 0.130E-02 0.010230 0.338E-04 15862.8308
516 -209.574630 0.204E-03 0.407376 0.129E-02 0.010228 0.336E-04 15869.9130
517 -209.574626 0.203E-03 0.407363 0.129E-02 0.010228 0.336E-04 15873.6171
518 -209.574637 0.203E-03 0.407450 0.129E-02 0.010229 0.335E-04 15886.2299
519 -209.574633 0.203E-03 0.407409 0.129E-02 0.010229 0.335E-04 15925.3987
520 -209.574629 0.202E-03 0.407381 0.129E-02 0.010228 0.334E-04 15936.6074
521 -209.574634 0.202E-03 0.407409 0.129E-02 0.010229 0.333E-04 15952.6871
528 -209.574636 0.200E-03 0.407456 0.127E-02 0.010228 0.330E-04 15961.0017
529 -209.574642 0.200E-03 0.407500 0.127E-02 0.010229 0.329E-04 15963.0295
530 -209.574646 0.199E-03 0.407526 0.127E-02 0.010230 0.329E-04 16002.9722
531 -209.574635 0.199E-03 0.407453 0.127E-02 0.010228 0.329E-04 16022.4651
532 -209.574646 0.199E-03 0.407526 0.127E-02 0.010230 0.329E-04 16028.6995
533 -209.574648 0.199E-03 0.407531 0.127E-02 0.010231 0.328E-04 16033.6559
534 -209.574648 0.199E-03 0.407527 0.126E-02 0.010231 0.328E-04 16038.4123
536 -209.574645 0.198E-03 0.407494 0.126E-02 0.010230 0.327E-04 16041.2408
537 -209.574652 0.198E-03 0.407535 0.126E-02 0.010232 0.326E-04 16057.1765
539 -209.574658 0.198E-03 0.407594 0.126E-02 0.010232 0.326E-04 16098.7310
540 -209.574660 0.197E-03 0.407619 0.126E-02 0.010232 0.325E-04 16101.2041
541 -209.574669 0.197E-03 0.407682 0.126E-02 0.010234 0.325E-04 16124.1893
544 -209.574667 0.196E-03 0.407676 0.125E-02 0.010233 0.323E-04 16125.9721
545 -209.574666 0.196E-03 0.407669 0.125E-02 0.010233 0.323E-04 16172.5541
548 -209.574671 0.195E-03 0.407714 0.124E-02 0.010233 0.321E-04 16198.6784
549 -209.574668 0.195E-03 0.407693 0.124E-02 0.010233 0.321E-04 16202.5244
551 -209.574692 0.195E-03 0.407834 0.124E-02 0.010237 0.322E-04 16207.9772
553 -209.574710 0.195E-03 0.407914 0.124E-02 0.010241 0.322E-04 16217.2874
556 -209.574715 0.194E-03 0.407922 0.123E-02 0.010242 0.321E-04 16258.3566
557 -209.574699 0.194E-03 0.407837 0.123E-02 0.010239 0.320E-04 16280.9990
558 -209.574706 0.193E-03 0.407885 0.123E-02 0.010240 0.320E-04 16293.4168
562 -209.574702 0.192E-03 0.407845 0.122E-02 0.010240 0.318E-04 16303.0233
563 -209.574705 0.192E-03 0.407871 0.122E-02 0.010240 0.317E-04 16352.5050
564 -209.574702 0.192E-03 0.407856 0.122E-02 0.010239 0.317E-04 16377.2139
565 -209.574701 0.191E-03 0.407849 0.121E-02 0.010239 0.316E-04 16379.4460
567 -209.574710 0.191E-03 0.407899 0.121E-02 0.010241 0.315E-04 16380.4872
568 -209.574713 0.190E-03 0.407941 0.121E-02 0.010241 0.315E-04 16393.1742
569 -209.574703 0.190E-03 0.407879 0.121E-02 0.010239 0.315E-04 16431.4488
570 -209.574704 0.190E-03 0.407878 0.121E-02 0.010240 0.314E-04 16443.7150
571 -209.574697 0.190E-03 0.407837 0.120E-02 0.010239 0.314E-04 16448.9467
572 -209.574684 0.190E-03 0.407753 0.121E-02 0.010236 0.314E-04 16456.5961
573 -209.574669 0.190E-03 0.407662 0.121E-02 0.010234 0.314E-04 16463.8932
575 -209.574666 0.189E-03 0.407618 0.120E-02 0.010234 0.313E-04 16464.9067
576 -209.574653 0.190E-03 0.407536 0.120E-02 0.010232 0.313E-04 16487.8604
577 -209.574663 0.190E-03 0.407611 0.120E-02 0.010233 0.313E-04 16522.5206
578 -209.574655 0.189E-03 0.407558 0.120E-02 0.010232 0.313E-04 16529.6839
579 -209.574653 0.189E-03 0.407543 0.120E-02 0.010232 0.312E-04 16545.9632
582 -209.574645 0.188E-03 0.407508 0.120E-02 0.010230 0.311E-04 16549.5084
584 -209.574643 0.188E-03 0.407495 0.119E-02 0.010230 0.310E-04 16555.8080
585 -209.574646 0.188E-03 0.407516 0.119E-02 0.010230 0.310E-04 16597.7285
586 -209.574642 0.187E-03 0.407488 0.119E-02 0.010230 0.310E-04 16608.4571
587 -209.574634 0.187E-03 0.407430 0.119E-02 0.010229 0.309E-04 16620.7137
589 -209.574632 0.187E-03 0.407418 0.119E-02 0.010228 0.308E-04 16637.5639
593 -209.574617 0.186E-03 0.407313 0.118E-02 0.010226 0.307E-04 16640.4203
594 -209.574616 0.185E-03 0.407311 0.118E-02 0.010226 0.306E-04 16651.5478
595 -209.574618 0.185E-03 0.407319 0.118E-02 0.010226 0.306E-04 16705.5629
601 -209.574657 0.185E-03 0.407543 0.117E-02 0.010233 0.306E-04 16723.8029
604 -209.574655 0.184E-03 0.407526 0.117E-02 0.010233 0.305E-04 16733.1578
606 -209.574653 0.184E-03 0.407518 0.117E-02 0.010232 0.304E-04 16773.1640
608 -209.574631 0.184E-03 0.407378 0.117E-02 0.010229 0.304E-04 16804.8747
609 -209.574637 0.184E-03 0.407423 0.117E-02 0.010230 0.304E-04 16809.6847
612 -209.574643 0.183E-03 0.407458 0.116E-02 0.010231 0.303E-04 16817.8935
613 -209.574643 0.183E-03 0.407461 0.116E-02 0.010231 0.302E-04 16819.4346
614 -209.574643 0.182E-03 0.407451 0.116E-02 0.010231 0.302E-04 16859.4711
616 -209.574638 0.182E-03 0.407423 0.115E-02 0.010230 0.301E-04 16878.2243
618 -209.574615 0.182E-03 0.407269 0.115E-02 0.010226 0.301E-04 16893.1591
622 -209.574620 0.182E-03 0.407316 0.116E-02 0.010227 0.300E-04 16904.2625
624 -209.574612 0.181E-03 0.407290 0.115E-02 0.010225 0.300E-04 16942.1848
625 -209.574606 0.181E-03 0.407245 0.115E-02 0.010224 0.299E-04 16962.7666
626 -209.574609 0.181E-03 0.407273 0.115E-02 0.010224 0.299E-04 16972.0639
627 -209.574606 0.181E-03 0.407253 0.115E-02 0.010224 0.298E-04 16978.7847
632 -209.574589 0.179E-03 0.407136 0.114E-02 0.010222 0.296E-04 16984.3464
633 -209.574595 0.179E-03 0.407174 0.114E-02 0.010223 0.296E-04 17018.6604
634 -209.574605 0.179E-03 0.407244 0.114E-02 0.010224 0.296E-04 17033.0704
638 -209.574630 0.178E-03 0.407409 0.113E-02 0.010228 0.295E-04 17059.2737
639 -209.574629 0.178E-03 0.407389 0.113E-02 0.010228 0.294E-04 17064.7174
642 -209.574628 0.177E-03 0.407380 0.113E-02 0.010228 0.293E-04 17069.8437
643 -209.574630 0.177E-03 0.407395 0.112E-02 0.010228 0.292E-04 17106.3998
645 -209.574629 0.176E-03 0.407379 0.112E-02 0.010228 0.292E-04 17118.6974
646 -209.574626 0.176E-03 0.407374 0.112E-02 0.010227 0.291E-04 17129.7745
647 -209.574620 0.176E-03 0.407340 0.112E-02 0.010226 0.291E-04 17133.1939
648 -209.574609 0.176E-03 0.407271 0.112E-02 0.010224 0.291E-04 17136.9481
650 -209.574603 0.176E-03 0.407231 0.112E-02 0.010224 0.291E-04 17140.0644
651 -209.574621 0.177E-03 0.407346 0.112E-02 0.010227 0.292E-04 17150.6835
657 -209.574595 0.175E-03 0.407182 0.111E-02 0.010223 0.290E-04 17156.9061
658 -209.574598 0.175E-03 0.407184 0.111E-02 0.010223 0.290E-04 17189.8627
659 -209.574599 0.175E-03 0.407190 0.111E-02 0.010223 0.289E-04 17199.4773
661 -209.574597 0.174E-03 0.407180 0.111E-02 0.010223 0.288E-04 17214.9785
662 -209.574602 0.174E-03 0.407222 0.111E-02 0.010224 0.288E-04 17218.0300
663 -209.574603 0.174E-03 0.407220 0.110E-02 0.010224 0.288E-04 17229.4449
664 -209.574597 0.174E-03 0.407189 0.110E-02 0.010223 0.287E-04 17236.5840
669 -209.574573 0.173E-03 0.407007 0.110E-02 0.010220 0.286E-04 17249.0205
670 -209.574582 0.173E-03 0.407075 0.110E-02 0.010221 0.285E-04 17272.6856
672 -209.574592 0.172E-03 0.407147 0.110E-02 0.010222 0.285E-04 17288.4404
675 -209.574587 0.172E-03 0.407109 0.109E-02 0.010222 0.284E-04 17298.7261
676 -209.574586 0.171E-03 0.407105 0.109E-02 0.010221 0.283E-04 17307.5181
678 -209.574582 0.171E-03 0.407074 0.109E-02 0.010221 0.282E-04 17321.0731
682 -209.574562 0.170E-03 0.406931 0.108E-02 0.010218 0.281E-04 17322.3420
683 -209.574560 0.170E-03 0.406910 0.108E-02 0.010218 0.280E-04 17356.2434
684 -209.574565 0.170E-03 0.406936 0.108E-02 0.010218 0.280E-04 17375.6236
685 -209.574560 0.169E-03 0.406914 0.108E-02 0.010218 0.280E-04 17403.0841
689 -209.574557 0.169E-03 0.406885 0.107E-02 0.010217 0.278E-04 17406.5118
694 -209.574558 0.168E-03 0.406886 0.107E-02 0.010217 0.277E-04 17442.5086
697 -209.574555 0.167E-03 0.406881 0.107E-02 0.010217 0.276E-04 17452.1768
698 -209.574553 0.167E-03 0.406862 0.106E-02 0.010217 0.276E-04 17461.2162
700 -209.574567 0.167E-03 0.406945 0.106E-02 0.010219 0.276E-04 17466.4378
701 -209.574575 0.167E-03 0.407001 0.106E-02 0.010220 0.276E-04 17476.5116
703 -209.574576 0.168E-03 0.407021 0.107E-02 0.010220 0.277E-04 17486.8587
704 -209.574573 0.168E-03 0.407003 0.107E-02 0.010220 0.276E-04 17488.3359
705 -209.574577 0.167E-03 0.407023 0.107E-02 0.010220 0.276E-04 17493.4491
709 -209.574598 0.168E-03 0.407166 0.107E-02 0.010223 0.276E-04 17495.6046
710 -209.574596 0.168E-03 0.407152 0.107E-02 0.010223 0.276E-04 17536.4522
712 -209.574615 0.168E-03 0.407282 0.107E-02 0.010226 0.277E-04 17547.2017
713 -209.574623 0.168E-03 0.407330 0.107E-02 0.010227 0.277E-04 17561.7851
715 -209.574616 0.168E-03 0.407279 0.107E-02 0.010226 0.276E-04 17573.6767
717 -209.574614 0.167E-03 0.407263 0.107E-02 0.010226 0.275E-04 17579.9662
719 -209.574619 0.167E-03 0.407306 0.107E-02 0.010227 0.274E-04 17610.7212
720 -209.574617 0.167E-03 0.407286 0.107E-02 0.010227 0.274E-04 17621.9171
723 -209.574642 0.167E-03 0.407424 0.107E-02 0.010231 0.275E-04 17633.7018
724 -209.574642 0.167E-03 0.407426 0.106E-02 0.010231 0.275E-04 17638.8565
726 -209.574650 0.167E-03 0.407471 0.106E-02 0.010232 0.275E-04 17647.8081
731 -209.574648 0.166E-03 0.407464 0.106E-02 0.010232 0.274E-04 17655.6659
732 -209.574650 0.166E-03 0.407464 0.106E-02 0.010233 0.273E-04 17660.2986
734 -209.574674 0.166E-03 0.407607 0.106E-02 0.010237 0.274E-04 17666.5725
738 -209.574675 0.166E-03 0.407631 0.106E-02 0.010237 0.273E-04 17692.9055
740 -209.574671 0.165E-03 0.407624 0.106E-02 0.010236 0.273E-04 17706.6838
741 -209.574667 0.165E-03 0.407602 0.105E-02 0.010235 0.273E-04 17721.4991
742 -209.574662 0.165E-03 0.407574 0.105E-02 0.010234 0.272E-04 17723.8591
743 -209.574655 0.165E-03 0.407525 0.105E-02 0.010233 0.272E-04 17734.9127
744 -209.574668 0.165E-03 0.407599 0.105E-02 0.010235 0.273E-04 17742.1891
745 -209.574665 0.165E-03 0.407573 0.105E-02 0.010235 0.273E-04 17746.4761
746 -209.574662 0.165E-03 0.407557 0.105E-02 0.010234 0.272E-04 17751.1901
747 -209.574654 0.165E-03 0.407509 0.105E-02 0.010233 0.272E-04 17779.5407
750 -209.574655 0.164E-03 0.407516 0.105E-02 0.010233 0.271E-04 17792.7380
756 -209.574657 0.164E-03 0.407516 0.104E-02 0.010233 0.271E-04 17807.1205
758 -209.574638 0.164E-03 0.407401 0.104E-02 0.010230 0.271E-04 17820.6047
760 -209.574626 0.164E-03 0.407336 0.104E-02 0.010228 0.271E-04 17836.3010
764 -209.574644 0.164E-03 0.407455 0.104E-02 0.010231 0.270E-04 17869.9144
768 -209.574639 0.163E-03 0.407445 0.104E-02 0.010230 0.269E-04 17877.7169
769 -209.574636 0.163E-03 0.407425 0.104E-02 0.010229 0.269E-04 17894.0701
770 -209.574642 0.163E-03 0.407464 0.104E-02 0.010230 0.269E-04 17903.6755
772 -209.574636 0.162E-03 0.407448 0.103E-02 0.010228 0.268E-04 17935.9290
779 -209.574643 0.162E-03 0.407480 0.103E-02 0.010230 0.267E-04 17956.2224
780 -209.574647 0.162E-03 0.407506 0.103E-02 0.010231 0.267E-04 17964.5086
782 -209.574644 0.161E-03 0.407488 0.102E-02 0.010230 0.266E-04 17980.5869
786 -209.574652 0.161E-03 0.407526 0.102E-02 0.010232 0.266E-04 17997.2812
787 -209.574659 0.161E-03 0.407560 0.102E-02 0.010233 0.266E-04 18004.2765
793 -209.574675 0.161E-03 0.407691 0.102E-02 0.010235 0.266E-04 18022.4424
795 -209.574672 0.160E-03 0.407670 0.102E-02 0.010235 0.265E-04 18042.3397
796 -209.574676 0.160E-03 0.407699 0.102E-02 0.010235 0.265E-04 18051.2590
797 -209.574685 0.160E-03 0.407762 0.102E-02 0.010237 0.265E-04 18062.1594
798 -209.574689 0.160E-03 0.407787 0.102E-02 0.010237 0.265E-04 18066.8042
799 -209.574682 0.160E-03 0.407742 0.102E-02 0.010236 0.265E-04 18081.8622
800 -209.574684 0.160E-03 0.407759 0.102E-02 0.010236 0.264E-04 18092.7276
804 -209.574699 0.159E-03 0.407861 0.101E-02 0.010239 0.263E-04 18108.2922
805 -209.574697 0.159E-03 0.407852 0.101E-02 0.010238 0.263E-04 18127.8001
808 -209.574695 0.159E-03 0.407834 0.101E-02 0.010238 0.262E-04 18136.2980
809 -209.574698 0.159E-03 0.407848 0.101E-02 0.010238 0.262E-04 18148.2152
810 -209.574701 0.158E-03 0.407870 0.101E-02 0.010239 0.262E-04 18151.2283
814 -209.574692 0.158E-03 0.407801 0.100E-02 0.010238 0.261E-04 18161.4277
817 -209.574711 0.159E-03 0.407918 0.101E-02 0.010241 0.262E-04 18180.5342
821 -209.574716 0.158E-03 0.407940 0.100E-02 0.010242 0.261E-04 18193.8251
825 -209.574708 0.158E-03 0.407883 0.100E-02 0.010241 0.261E-04 18215.0099
827 -209.574707 0.158E-03 0.407873 0.100E-02 0.010241 0.261E-04 18220.6482
828 -209.574715 0.158E-03 0.407932 0.100E-02 0.010242 0.261E-04 18234.2843
829 -209.574710 0.158E-03 0.407896 0.100E-02 0.010241 0.260E-04 18235.9965
832 -209.574721 0.157E-03 0.407981 0.100E-02 0.010242 0.260E-04 18265.0519
835 -209.574715 0.157E-03 0.407930 0.999E-03 0.010241 0.260E-04 18280.6070
838 -209.574712 0.157E-03 0.407920 0.998E-03 0.010241 0.259E-04 18302.3880
839 -209.574708 0.157E-03 0.407895 0.997E-03 0.010240 0.259E-04 18318.9536
843 -209.574712 0.157E-03 0.407907 0.995E-03 0.010241 0.259E-04 18322.0257
846 -209.574714 0.156E-03 0.407902 0.992E-03 0.010242 0.258E-04 18331.8458
848 -209.574716 0.156E-03 0.407921 0.990E-03 0.010242 0.258E-04 18337.5459
849 -209.574715 0.156E-03 0.407920 0.989E-03 0.010242 0.257E-04 18339.6891
851 -209.574738 0.157E-03 0.408068 0.994E-03 0.010246 0.259E-04 18352.2300
852 -209.574734 0.156E-03 0.408045 0.993E-03 0.010245 0.258E-04 18366.2162
857 -209.574734 0.156E-03 0.408043 0.989E-03 0.010245 0.257E-04 18387.5779
862 -209.574738 0.156E-03 0.408056 0.987E-03 0.010246 0.257E-04 18408.0946
866 -209.574741 0.155E-03 0.408072 0.985E-03 0.010246 0.256E-04 18426.4353
870 -209.574748 0.155E-03 0.408111 0.981E-03 0.010247 0.255E-04 18437.6008
872 -209.574740 0.154E-03 0.408064 0.980E-03 0.010246 0.255E-04 18451.7106
876 -209.574736 0.154E-03 0.408053 0.977E-03 0.010245 0.254E-04 18472.5486
879 -209.574739 0.154E-03 0.408077 0.976E-03 0.010245 0.254E-04 18493.4697
883 -209.574736 0.153E-03 0.408069 0.972E-03 0.010245 0.253E-04 18513.2263
884 -209.574738 0.153E-03 0.408092 0.972E-03 0.010245 0.253E-04 18524.5659
887 -209.574750 0.153E-03 0.408157 0.970E-03 0.010247 0.252E-04 18537.9380
889 -209.574746 0.153E-03 0.408129 0.969E-03 0.010246 0.253E-04 18558.1766
892 -209.574753 0.152E-03 0.408182 0.967E-03 0.010247 0.252E-04 18579.2707
893 -209.574760 0.152E-03 0.408216 0.967E-03 0.010249 0.252E-04 18589.4547
894 -209.574754 0.152E-03 0.408182 0.966E-03 0.010248 0.252E-04 18598.4791
896 -209.574759 0.152E-03 0.408212 0.967E-03 0.010248 0.252E-04 18610.6658
898 -209.574766 0.152E-03 0.408265 0.965E-03 0.010249 0.251E-04 18624.2092
901 -209.574755 0.152E-03 0.408207 0.963E-03 0.010247 0.251E-04 18643.1055
904 -209.574745 0.151E-03 0.408129 0.956E-03 0.010246 0.249E-04 18665.7142
906 -209.574747 0.150E-03 0.408153 0.955E-03 0.010246 0.249E-04 18679.6027
908 -209.574761 0.150E-03 0.408240 0.955E-03 0.010248 0.249E-04 18684.5476
911 -209.574741 0.151E-03 0.408113 0.955E-03 0.010245 0.249E-04 18702.8588
915 -209.574722 0.150E-03 0.407987 0.953E-03 0.010242 0.248E-04 18710.4282
918 -209.574720 0.150E-03 0.407978 0.951E-03 0.010242 0.248E-04 18727.6985
920 -209.574718 0.150E-03 0.407963 0.952E-03 0.010241 0.248E-04 18749.8483
921 -209.574718 0.150E-03 0.407961 0.951E-03 0.010242 0.248E-04 18752.1616
923 -209.574730 0.150E-03 0.408048 0.951E-03 0.010243 0.247E-04 18766.2612
925 -209.574727 0.149E-03 0.408027 0.949E-03 0.010243 0.247E-04 18769.1268
927 -209.574727 0.149E-03 0.408030 0.947E-03 0.010243 0.246E-04 18782.5537
929 -209.574727 0.149E-03 0.408028 0.945E-03 0.010243 0.246E-04 18788.4764
930 -209.574720 0.149E-03 0.407983 0.945E-03 0.010242 0.246E-04 18797.1322
933 -209.574728 0.149E-03 0.408034 0.944E-03 0.010243 0.246E-04 18814.9111
935 -209.574716 0.149E-03 0.407949 0.944E-03 0.010241 0.246E-04 18839.7729
937 -209.574722 0.149E-03 0.407980 0.943E-03 0.010242 0.245E-04 18859.4667
941 -209.574709 0.148E-03 0.407904 0.940E-03 0.010240 0.245E-04 18872.2378
943 -209.574700 0.148E-03 0.407841 0.939E-03 0.010239 0.244E-04 18875.2996
944 -209.574692 0.148E-03 0.407790 0.940E-03 0.010237 0.245E-04 18885.1909
946 -209.574687 0.148E-03 0.407765 0.938E-03 0.010237 0.244E-04 18900.9446
949 -209.574691 0.147E-03 0.407792 0.935E-03 0.010237 0.243E-04 18922.1139
950 -209.574696 0.147E-03 0.407825 0.935E-03 0.010238 0.243E-04 18925.1467
951 -209.574692 0.147E-03 0.407810 0.934E-03 0.010237 0.243E-04 18930.8670
952 -209.574691 0.147E-03 0.407806 0.933E-03 0.010237 0.243E-04 18942.6107
953 -209.574691 0.147E-03 0.407808 0.932E-03 0.010237 0.243E-04 18944.6843
956 -209.574687 0.147E-03 0.407784 0.930E-03 0.010236 0.242E-04 18960.1614
958 -209.574690 0.146E-03 0.407801 0.929E-03 0.010236 0.242E-04 18971.1438
961 -209.574688 0.146E-03 0.407795 0.929E-03 0.010236 0.241E-04 18985.8799
965 -209.574681 0.146E-03 0.407761 0.927E-03 0.010235 0.241E-04 19012.2746
966 -209.574683 0.146E-03 0.407783 0.926E-03 0.010235 0.240E-04 19032.2041
970 -209.574696 0.145E-03 0.407884 0.921E-03 0.010237 0.239E-04 19051.1321
973 -209.574704 0.145E-03 0.407930 0.922E-03 0.010238 0.240E-04 19057.4772
975 -209.574707 0.145E-03 0.407948 0.922E-03 0.010238 0.240E-04 19070.4184
980 -209.574707 0.145E-03 0.407926 0.922E-03 0.010239 0.240E-04 19094.4388
981 -209.574712 0.145E-03 0.407958 0.921E-03 0.010240 0.240E-04 19099.1368
982 -209.574710 0.145E-03 0.407945 0.920E-03 0.010240 0.240E-04 19101.9927
984 -209.574708 0.145E-03 0.407938 0.919E-03 0.010239 0.239E-04 19124.6978
986 -209.574704 0.145E-03 0.407912 0.917E-03 0.010238 0.239E-04 19141.2623
987 -209.574719 0.145E-03 0.408006 0.921E-03 0.010241 0.240E-04 19145.3115
989 -209.574720 0.145E-03 0.408024 0.919E-03 0.010241 0.239E-04 19155.0476
996 -209.574719 0.145E-03 0.408032 0.918E-03 0.010240 0.239E-04 19187.2145
1000 -209.574713 0.144E-03 0.407985 0.916E-03 0.010240 0.238E-04 19201.2228
1003 -209.574725 0.144E-03 0.408034 0.916E-03 0.010242 0.239E-04 19210.4111
1004 -209.574724 0.144E-03 0.408030 0.915E-03 0.010242 0.238E-04 19216.6137
1005 -209.574721 0.144E-03 0.408011 0.914E-03 0.010242 0.238E-04 19239.3815
1018 -209.574710 0.143E-03 0.407913 0.907E-03 0.010240 0.236E-04 19266.0809
1019 -209.574720 0.143E-03 0.407970 0.907E-03 0.010242 0.237E-04 19274.1456
1021 -209.574711 0.143E-03 0.407919 0.907E-03 0.010241 0.237E-04 19286.2706
1023 -209.574711 0.143E-03 0.407922 0.906E-03 0.010241 0.236E-04 19301.2934
1028 -209.574689 0.143E-03 0.407780 0.904E-03 0.010237 0.236E-04 19325.7808
1035 -209.574684 0.142E-03 0.407760 0.899E-03 0.010236 0.235E-04 19350.2703
1036 -209.574688 0.142E-03 0.407784 0.899E-03 0.010237 0.235E-04 19360.3345
1042 -209.574688 0.141E-03 0.407789 0.894E-03 0.010237 0.233E-04 19387.9414
1047 -209.574677 0.141E-03 0.407716 0.892E-03 0.010235 0.233E-04 19409.0722
1048 -209.574674 0.141E-03 0.407705 0.891E-03 0.010234 0.232E-04 19410.1405
1054 -209.574649 0.140E-03 0.407542 0.890E-03 0.010230 0.232E-04 19436.6900
1057 -209.574655 0.140E-03 0.407572 0.888E-03 0.010231 0.232E-04 19447.1380
1060 -209.574652 0.140E-03 0.407552 0.886E-03 0.010231 0.231E-04 19457.2810
1061 -209.574652 0.140E-03 0.407552 0.885E-03 0.010231 0.231E-04 19473.3181
1067 -209.574655 0.139E-03 0.407573 0.883E-03 0.010231 0.230E-04 19495.7945
1072 -209.574664 0.139E-03 0.407625 0.880E-03 0.010233 0.230E-04 19523.8013
1073 -209.574667 0.139E-03 0.407643 0.880E-03 0.010233 0.229E-04 19530.0523
1074 -209.574666 0.139E-03 0.407635 0.879E-03 0.010233 0.229E-04 19531.7911
1075 -209.574664 0.139E-03 0.407621 0.878E-03 0.010233 0.229E-04 19542.9893
1078 -209.574670 0.138E-03 0.407654 0.877E-03 0.010234 0.229E-04 19558.6105
1080 -209.574677 0.138E-03 0.407692 0.876E-03 0.010235 0.229E-04 19585.8202
1088 -209.574689 0.138E-03 0.407755 0.874E-03 0.010238 0.228E-04 19602.1019
1089 -209.574687 0.138E-03 0.407748 0.874E-03 0.010237 0.228E-04 19617.2328
1092 -209.574699 0.138E-03 0.407822 0.873E-03 0.010239 0.228E-04 19627.2273
1096 -209.574698 0.137E-03 0.407820 0.870E-03 0.010239 0.227E-04 19647.4603
1101 -209.574717 0.138E-03 0.407942 0.872E-03 0.010242 0.228E-04 19665.0263
1103 -209.574716 0.138E-03 0.407937 0.872E-03 0.010242 0.228E-04 19672.7275
1106 -209.574714 0.137E-03 0.407926 0.870E-03 0.010241 0.227E-04 19687.1449
1108 -209.574710 0.137E-03 0.407909 0.869E-03 0.010240 0.227E-04 19693.7341
1109 -209.574709 0.137E-03 0.407900 0.868E-03 0.010240 0.227E-04 19708.6980
1112 -209.574711 0.137E-03 0.407917 0.866E-03 0.010241 0.226E-04 19714.9704
1117 -209.574704 0.137E-03 0.407881 0.866E-03 0.010239 0.226E-04 19734.5097
1119 -209.574709 0.137E-03 0.407908 0.865E-03 0.010240 0.226E-04 19751.4280
1121 -209.574715 0.137E-03 0.407944 0.864E-03 0.010241 0.226E-04 19758.9327
1123 -209.574708 0.136E-03 0.407883 0.862E-03 0.010240 0.226E-04 19772.9789
1125 -209.574707 0.136E-03 0.407867 0.860E-03 0.010240 0.225E-04 19778.5730
1127 -209.574703 0.136E-03 0.407846 0.859E-03 0.010240 0.225E-04 19795.5427
1128 -209.574701 0.136E-03 0.407833 0.858E-03 0.010239 0.225E-04 19799.7905
1133 -209.574699 0.135E-03 0.407837 0.855E-03 0.010239 0.224E-04 19822.8239
1138 -209.574691 0.135E-03 0.407768 0.854E-03 0.010238 0.224E-04 19835.9505
1141 -209.574692 0.135E-03 0.407781 0.852E-03 0.010238 0.223E-04 19845.2512
1144 -209.574691 0.135E-03 0.407767 0.851E-03 0.010238 0.223E-04 19858.4839
1146 -209.574688 0.135E-03 0.407746 0.850E-03 0.010237 0.223E-04 19864.1780
1147 -209.574687 0.134E-03 0.407747 0.849E-03 0.010237 0.223E-04 19873.5058
1149 -209.574696 0.134E-03 0.407803 0.849E-03 0.010239 0.223E-04 19881.8032
1150 -209.574691 0.134E-03 0.407771 0.849E-03 0.010238 0.223E-04 19886.6678
1154 -209.574690 0.134E-03 0.407766 0.849E-03 0.010238 0.223E-04 19914.0022
1158 -209.574679 0.134E-03 0.407696 0.847E-03 0.010236 0.222E-04 19918.5132
1159 -209.574676 0.134E-03 0.407678 0.846E-03 0.010235 0.222E-04 19919.6389
1161 -209.574675 0.134E-03 0.407670 0.845E-03 0.010235 0.222E-04 19930.1088
1163 -209.574665 0.134E-03 0.407614 0.845E-03 0.010233 0.222E-04 19959.5290
1167 -209.574668 0.133E-03 0.407629 0.842E-03 0.010234 0.221E-04 19967.6261
1169 -209.574669 0.133E-03 0.407636 0.841E-03 0.010234 0.221E-04 19970.5382
1174 -209.574678 0.133E-03 0.407679 0.841E-03 0.010236 0.220E-04 19993.1926
1175 -209.574673 0.133E-03 0.407653 0.840E-03 0.010235 0.220E-04 19998.6802
1176 -209.574675 0.133E-03 0.407670 0.840E-03 0.010235 0.220E-04 20005.8395
1178 -209.574678 0.133E-03 0.407683 0.839E-03 0.010236 0.220E-04 20017.0994
1185 -209.574697 0.132E-03 0.407790 0.836E-03 0.010239 0.219E-04 20035.7418
1188 -209.574687 0.132E-03 0.407725 0.835E-03 0.010238 0.219E-04 20054.2204
1189 -209.574687 0.132E-03 0.407717 0.835E-03 0.010238 0.219E-04 20056.5807
1192 -209.574689 0.132E-03 0.407723 0.833E-03 0.010238 0.218E-04 20080.6565
1193 -209.574693 0.132E-03 0.407747 0.833E-03 0.010239 0.218E-04 20088.3462
1194 -209.574701 0.132E-03 0.407791 0.833E-03 0.010240 0.218E-04 20092.3107
1196 -209.574698 0.132E-03 0.407770 0.833E-03 0.010240 0.218E-04 20103.4702
1200 -209.574697 0.132E-03 0.407768 0.832E-03 0.010240 0.218E-04 20122.3269
1203 -209.574701 0.131E-03 0.407805 0.831E-03 0.010240 0.217E-04 20130.5163
1205 -209.574709 0.131E-03 0.407861 0.830E-03 0.010241 0.217E-04 20142.7150
1209 -209.574703 0.131E-03 0.407823 0.828E-03 0.010240 0.217E-04 20164.8286
1211 -209.574707 0.131E-03 0.407848 0.827E-03 0.010241 0.216E-04 20169.8414
1215 -209.574702 0.130E-03 0.407825 0.825E-03 0.010240 0.216E-04 20178.4977
1217 -209.574701 0.130E-03 0.407820 0.824E-03 0.010240 0.215E-04 20191.9315
1224 -209.574690 0.130E-03 0.407744 0.821E-03 0.010238 0.215E-04 20208.2347
1226 -209.574698 0.130E-03 0.407786 0.821E-03 0.010240 0.215E-04 20217.1535
1228 -209.574696 0.130E-03 0.407767 0.819E-03 0.010239 0.214E-04 20230.0366
1233 -209.574688 0.129E-03 0.407716 0.817E-03 0.010238 0.214E-04 20251.6638
1235 -209.574689 0.129E-03 0.407724 0.815E-03 0.010238 0.213E-04 20258.2347
1238 -209.574688 0.129E-03 0.407721 0.815E-03 0.010238 0.213E-04 20264.5952
1239 -209.574697 0.129E-03 0.407773 0.816E-03 0.010240 0.213E-04 20279.3513
1243 -209.574697 0.129E-03 0.407777 0.813E-03 0.010239 0.213E-04 20294.4897
1245 -209.574702 0.128E-03 0.407808 0.812E-03 0.010240 0.212E-04 20303.2691
1250 -209.574705 0.128E-03 0.407830 0.811E-03 0.010241 0.212E-04 20315.7008
1255 -209.574710 0.128E-03 0.407861 0.808E-03 0.010241 0.211E-04 20341.1504
1256 -209.574706 0.128E-03 0.407838 0.808E-03 0.010241 0.211E-04 20344.5188
1259 -209.574698 0.128E-03 0.407775 0.807E-03 0.010240 0.211E-04 20348.4349
1262 -209.574695 0.127E-03 0.407762 0.805E-03 0.010239 0.210E-04 20365.3952
1267 -209.574700 0.127E-03 0.407806 0.803E-03 0.010240 0.210E-04 20383.0320
1268 -209.574699 0.127E-03 0.407797 0.802E-03 0.010240 0.209E-04 20423.8369
1277 -209.574691 0.126E-03 0.407744 0.798E-03 0.010238 0.208E-04 20427.3488
1284 -209.574694 0.126E-03 0.407771 0.795E-03 0.010239 0.208E-04 20428.4233
========== ======================= ===================== ===================== ===========
Overlap of perturbed states:
1.023933462867630E-002
-------
.. >>>>> [ RES MEM : 18.648445 GB ] [ VIRT MEM : 32.384464 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 39723.210384 s ] [ CPU TIME: 4966731.166228 s ] <<<<< ..
* Number of generators 20971492
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 18.648445 GB ] [ VIRT MEM : 32.384464 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 39723.688558 s ] [ CPU TIME: 4966731.644310 s ] <<<<< ..
* Number of selectors 20971492
* pt2_n_tasks_max 638
Using 1/c_max^2 weight in selection
# Total weight 1.000000
* Correlation ratio 0.9156530900826813
Summary at N_det = 20971520
-----------------------------------
# ============ =============================
State 1
# ============ =============================
# E -209.51117772
# PT2 -0.06351923 0.00012551
# rPT2 -0.06287543 0.00012423
#
# E+PT2 -209.57469695 0.00012551
# E+rPT2 -209.57405315 0.00012423
# ============ =============================
N_det = 20971520
N_states = 1
* State 1
< S^2 > = 5.617537059906436E-003
E = -209.511177718066
Variance = 0.407786625118038 +/- 7.941953800845422E-004
PT norm = 0.101189597433117 +/- 1.024951701736070E-004
PT2 = -6.351923280847339E-002 +/- 1.255051742355333E-004
rPT2 = -6.287543023834104E-002 +/- 1.242331098517996E-004
E+PT2 = -209.574696950874 +/- 1.255051742355333E-004
E+rPT2 = -209.574053148304 +/- 1.242331098517996E-004
-----
Energy components
=================
State 1
---------
Vnn = 161.275575866652
Ven = -810.296690960175
Vee = 230.156784965056
Vecp = 0.000000000000000E+000
T = 209.353152410401
Extrapolated energies
------------------------
State 1
=========== ===================
minimum PT2 Extrapolated energy
=========== ===================
-0.0713 -209.58953877
-0.0801 -209.58666195
-0.0884 -209.58592768
-0.0963 -209.58582999
-0.1045 -209.58548684
-0.1133 -209.58555424
-0.1254 -209.58570582
=========== ===================
* Number of unique alpha determinants 1167570
* Number of unique beta determinants 1167705
.. >>>>> [ RES MEM : 23.158646 GB ] [ VIRT MEM : 39.068016 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 40444.186623 s ] [ CPU TIME: 5040944.024839 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) 64.87935007363558
===== ================ =========== ===========
Iter Energy S^2 Residual
===== ================ =========== ===========
0 -209.5111777181 0.005618 0.190E-02
1 -209.5215224562 0.005247 0.126E-03
2 -209.5216883436 0.005207 0.803E-05
3 -209.5217111756 0.005228 0.115E-05
4 -209.5217147168 0.005235 0.205E-06
5 -209.5217153462 0.005230 0.343E-07
6 -209.5217154565 0.005227 0.709E-08
7 -209.5217154782 0.005226 0.153E-08
8 -209.5217154829 0.005226 0.294E-09
9 -209.5217154838 0.005226 0.615E-10
====== ================ =========== ===========
.. >>>>> [ RES MEM : 65.050735 GB ] [ VIRT MEM : 95.443031 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 45886.650437 s ] [ CPU TIME: 5613674.359578 s ] <<<<< ..
.. >>>>> [ RES MEM : 22.863178 GB ] [ VIRT MEM : 38.724262 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 45889.949022 s ] [ CPU TIME: 5613677.657402 s ] <<<<< ..
* Energy of state 1 -209.5217154838378
* S^2 of state 1 0.5225976904229723E-02
* Saved determinants 41943040
--------------------------------------------------------------------------------
.. >>>>> [ RES MEM : 22.855133 GB ] [ VIRT MEM : 38.724262 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 46097.652194 s ] [ CPU TIME: 5615595.655111 s ] <<<<< ..
* Number of generators 41942990
* Number of comb teeth 100
Using 1/c_max^2 weight in selection
# Total weight 1.000000
.. >>>>> [ RES MEM : 21.744251 GB ] [ VIRT MEM : 35.351597 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 46111.664920 s ] [ CPU TIME: 5616136.995366 s ] <<<<< ..
* Number of selectors 41942990
* pt2_n_tasks_max 638
* PT2 Energy denominator -209.5217154838378
.. >>>>> [ RES MEM : 28.089478 GB ] [ VIRT MEM : 42.062542 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 46142.989237 s ] [ CPU TIME: 5619381.660827 s ] <<<<< ..
* Number of generators 41942990
* Number of comb teeth 100
.. >>>>> [ RES MEM : 28.089478 GB ] [ VIRT MEM : 42.062542 GB ] <<<<< ..
.. >>>>> [ WALL TIME: 46143.935319 s ] [ CPU TIME: 5619382.606824 s ] <<<<< ..
* Number of selectors 41942990
* pt2_n_tasks_max 638
* Number of tasks 42761113
* Number of fragmented tasks 18789
* Number of threads for PT2 128
* Memory (Gb) 41.26444727666676
========== ======================= ===================== ===================== ===========
Samples Energy Variance Norm^2 Seconds
========== ======================= ===================== ===================== ===========
3 -209.580083 0.143E-02 0.384187 0.127E-01 0.009190 0.185E-03 2373.8336
4 -209.578730 0.177E-02 0.375635 0.127E-01 0.008975 0.267E-03 2985.4103
5 -209.576335 0.289E-02 0.361059 0.183E-01 0.008576 0.472E-03 3545.5913
6 -209.576014 0.235E-02 0.358695 0.149E-01 0.008527 0.383E-03 4110.6567
7 -209.575370 0.208E-02 0.354641 0.132E-01 0.008416 0.341E-03 4572.5074
8 -209.575085 0.181E-02 0.353018 0.115E-01 0.008364 0.299E-03 5106.8413
9 -209.574838 0.161E-02 0.352257 0.101E-01 0.008303 0.269E-03 5630.4965
10 -209.574382 0.151E-02 0.348982 0.962E-02 0.008235 0.250E-03 5755.3346
11 -209.574175 0.138E-02 0.347608 0.879E-02 0.008201 0.228E-03 5968.4731
12 -209.574790 0.140E-02 0.352028 0.920E-02 0.008286 0.225E-03 6388.6190
13 -209.575600 0.153E-02 0.357086 0.990E-02 0.008418 0.247E-03 6598.3566
14 -209.575387 0.143E-02 0.355460 0.930E-02 0.008389 0.230E-03 7000.3414
15 -209.575004 0.139E-02 0.352858 0.904E-02 0.008331 0.222E-03 7291.9116
16 -209.575326 0.134E-02 0.355488 0.886E-02 0.008369 0.211E-03 7324.5851
17 -209.575313 0.126E-02 0.355712 0.833E-02 0.008359 0.198E-03 7464.8855
18 -209.575145 0.120E-02 0.354776 0.790E-02 0.008330 0.189E-03 7799.0197
19 -209.574808 0.118E-02 0.352470 0.783E-02 0.008282 0.185E-03 8241.2406
20 -209.574920 0.112E-02 0.352796 0.743E-02 0.008309 0.178E-03 8712.2426
21 -209.574781 0.108E-02 0.352005 0.711E-02 0.008287 0.170E-03 8735.4027
22 -209.574744 0.103E-02 0.351728 0.678E-02 0.008282 0.162E-03 8881.3731
23 -209.574510 0.101E-02 0.350276 0.664E-02 0.008244 0.160E-03 9043.0183
24 -209.574543 0.968E-03 0.350727 0.638E-02 0.008245 0.153E-03 9104.2499
25 -209.574601 0.930E-03 0.351119 0.613E-02 0.008253 0.147E-03 9249.1045
26 -209.574696 0.898E-03 0.351649 0.591E-02 0.008270 0.142E-03 9283.7178
27 -209.574684 0.864E-03 0.351655 0.568E-02 0.008265 0.137E-03 9693.0783
28 -209.574792 0.839E-03 0.352213 0.550E-02 0.008286 0.133E-03 10055.8814
29 -209.574624 0.827E-03 0.351080 0.543E-02 0.008261 0.131E-03 10429.5537
30 -209.574479 0.813E-03 0.350259 0.531E-02 0.008234 0.129E-03 10795.9078
31 -209.574632 0.801E-03 0.351051 0.520E-02 0.008262 0.128E-03 10878.0072
32 -209.574647 0.775E-03 0.351238 0.504E-02 0.008263 0.124E-03 11226.0281
33 -209.574797 0.766E-03 0.352263 0.499E-02 0.008285 0.122E-03 11335.1213
34 -209.574775 0.744E-03 0.351971 0.485E-02 0.008285 0.119E-03 11707.2755
35 -209.574718 0.724E-03 0.351649 0.472E-02 0.008276 0.116E-03 11865.2185
36 -209.574777 0.706E-03 0.352342 0.463E-02 0.008279 0.112E-03 12022.4682
37 -209.575059 0.742E-03 0.354128 0.484E-02 0.008323 0.118E-03 12112.4683
38 -209.574840 0.755E-03 0.352707 0.493E-02 0.008289 0.120E-03 12189.6045
39 -209.574896 0.737E-03 0.353017 0.481E-02 0.008298 0.117E-03 12305.7930
40 -209.574697 0.746E-03 0.351550 0.491E-02 0.008271 0.117E-03 12444.2408
41 -209.574819 0.737E-03 0.352343 0.486E-02 0.008290 0.116E-03 12740.7306
42 -209.574883 0.722E-03 0.352777 0.476E-02 0.008301 0.114E-03 13032.9895
43 -209.574941 0.708E-03 0.353104 0.466E-02 0.008311 0.112E-03 13389.1485
44 -209.574926 0.691E-03 0.352841 0.456E-02 0.008313 0.109E-03 13400.4012
45 -209.574926 0.675E-03 0.352751 0.445E-02 0.008316 0.107E-03 13596.9875
46 -209.574811 0.671E-03 0.351962 0.442E-02 0.008299 0.106E-03 13619.2701
47 -209.574824 0.657E-03 0.351930 0.433E-02 0.008303 0.103E-03 13907.6887
48 -209.574724 0.650E-03 0.351307 0.429E-02 0.008287 0.103E-03 14034.2346
49 -209.574754 0.638E-03 0.351641 0.421E-02 0.008287 0.100E-03 14103.5461
50 -209.574631 0.636E-03 0.350857 0.419E-02 0.008267 0.100E-03 14290.5444
51 -209.574763 0.637E-03 0.351844 0.423E-02 0.008285 0.999E-04 14407.8189
52 -209.574925 0.646E-03 0.352823 0.426E-02 0.008312 0.102E-03 14558.3205
53 -209.574976 0.636E-03 0.353022 0.419E-02 0.008323 0.100E-03 14624.3150
54 -209.574789 0.652E-03 0.351824 0.428E-02 0.008293 0.103E-03 14796.1908
55 -209.574845 0.642E-03 0.352348 0.424E-02 0.008298 0.101E-03 14939.9907
56 -209.574894 0.632E-03 0.352716 0.418E-02 0.008304 0.997E-04 14997.7700
58 -209.575019 0.618E-03 0.353464 0.409E-02 0.008326 0.974E-04 15173.3596
59 -209.574963 0.610E-03 0.353063 0.404E-02 0.008317 0.961E-04 15186.9805
60 -209.575015 0.602E-03 0.353384 0.398E-02 0.008326 0.949E-04 15297.5832
61 -209.575140 0.605E-03 0.354033 0.397E-02 0.008349 0.964E-04 15336.1034
62 -209.575194 0.598E-03 0.354383 0.392E-02 0.008358 0.952E-04 15454.3882
63 -209.575146 0.590E-03 0.354034 0.387E-02 0.008351 0.939E-04 15617.4422
65 -209.575318 0.585E-03 0.355128 0.384E-02 0.008378 0.930E-04 15695.7808
66 -209.575207 0.586E-03 0.354304 0.387E-02 0.008363 0.928E-04 15712.3310
67 -209.575228 0.578E-03 0.354489 0.381E-02 0.008365 0.914E-04 15837.3119
68 -209.575281 0.572E-03 0.354811 0.377E-02 0.008374 0.905E-04 15926.6478
69 -209.575253 0.564E-03 0.354589 0.372E-02 0.008371 0.892E-04 15999.3195
70 -209.575256 0.556E-03 0.354579 0.367E-02 0.008372 0.880E-04 16054.7791
71 -209.575220 0.549E-03 0.354288 0.363E-02 0.008367 0.868E-04 16195.3188
72 -209.575210 0.542E-03 0.354165 0.358E-02 0.008367 0.856E-04 16197.2945
73 -209.575316 0.545E-03 0.354828 0.359E-02 0.008384 0.862E-04 16308.1876
74 -209.575306 0.537E-03 0.354750 0.355E-02 0.008383 0.850E-04 16468.8512
75 -209.575324 0.530E-03 0.354836 0.350E-02 0.008386 0.838E-04 16520.1102
76 -209.575416 0.531E-03 0.355394 0.350E-02 0.008401 0.841E-04 16571.2530
77 -209.575345 0.529E-03 0.354933 0.348E-02 0.008391 0.837E-04 16756.6234
78 -209.575411 0.526E-03 0.355341 0.346E-02 0.008402 0.833E-04 16848.9779
79 -209.575375 0.520E-03 0.355121 0.342E-02 0.008395 0.825E-04 16875.9710
80 -209.575424 0.516E-03 0.355390 0.339E-02 0.008404 0.820E-04 17006.0310
81 -209.575472 0.512E-03 0.355604 0.336E-02 0.008414 0.815E-04 17084.8572
82 -209.575555 0.513E-03 0.356153 0.337E-02 0.008427 0.817E-04 17202.2784
83 -209.575494 0.511E-03 0.355727 0.335E-02 0.008419 0.811E-04 17222.3643
84 -209.575461 0.506E-03 0.355564 0.332E-02 0.008412 0.804E-04 17338.3958
85 -209.575514 0.503E-03 0.355999 0.331E-02 0.008418 0.797E-04 17405.2527
86 -209.575436 0.503E-03 0.355481 0.331E-02 0.008406 0.797E-04 17532.5713
87 -209.575554 0.511E-03 0.356157 0.334E-02 0.008428 0.817E-04 17635.4291
88 -209.575545 0.505E-03 0.356014 0.330E-02 0.008428 0.807E-04 17644.3834
89 -209.575498 0.502E-03 0.355751 0.329E-02 0.008420 0.802E-04 17737.2418
90 -209.575468 0.497E-03 0.355636 0.325E-02 0.008413 0.796E-04 17774.1630
91 -209.575413 0.495E-03 0.355287 0.323E-02 0.008404 0.792E-04 17940.6365
92 -209.575350 0.494E-03 0.354882 0.322E-02 0.008394 0.790E-04 18003.9221
93 -209.575474 0.504E-03 0.355699 0.329E-02 0.008413 0.805E-04 18095.4071
94 -209.575436 0.500E-03 0.355502 0.326E-02 0.008406 0.799E-04 18126.8431
95 -209.575407 0.496E-03 0.355409 0.323E-02 0.008399 0.794E-04 18204.4745
96 -209.575396 0.490E-03 0.355289 0.320E-02 0.008398 0.786E-04 18250.9370
97 -209.575403 0.485E-03 0.355391 0.317E-02 0.008398 0.777E-04 18341.5455
98 -209.575365 0.482E-03 0.355105 0.315E-02 0.008393 0.771E-04 18412.3950
99 -209.575419 0.481E-03 0.355511 0.315E-02 0.008400 0.768E-04 18430.9076
100 -209.575519 0.487E-03 0.356189 0.319E-02 0.008415 0.775E-04 18524.9086
101 -209.575526 0.482E-03 0.356289 0.316E-02 0.008415 0.767E-04 18563.7163
102 -209.575533 0.477E-03 0.356346 0.313E-02 0.008416 0.759E-04 18605.1628
103 -209.575554 0.473E-03 0.356589 0.311E-02 0.008417 0.752E-04 18693.9452
104 -209.575537 0.469E-03 0.356535 0.308E-02 0.008413 0.746E-04 18825.5089
105 -209.575492 0.467E-03 0.356201 0.308E-02 0.008407 0.741E-04 18880.9488
106 -209.575563 0.468E-03 0.356635 0.308E-02 0.008418 0.744E-04 18940.2068
107 -209.575525 0.465E-03 0.356392 0.306E-02 0.008412 0.739E-04 18982.6190
108 -209.575571 0.463E-03 0.356766 0.305E-02 0.008418 0.735E-04 18995.8232
109 -209.575622 0.462E-03 0.357110 0.304E-02 0.008426 0.732E-04 19004.3185
110 -209.575685 0.462E-03 0.357562 0.305E-02 0.008435 0.731E-04 19049.9600
111 -209.575790 0.469E-03 0.358311 0.311E-02 0.008450 0.740E-04 19166.5797
112 -209.575769 0.466E-03 0.358160 0.309E-02 0.008447 0.734E-04 19181.7283
113 -209.575817 0.464E-03 0.358484 0.308E-02 0.008454 0.731E-04 19217.1321
114 -209.575804 0.460E-03 0.358378 0.305E-02 0.008453 0.725E-04 19323.0382
115 -209.575796 0.456E-03 0.358353 0.303E-02 0.008451 0.719E-04 19355.8815
117 -209.575773 0.449E-03 0.358209 0.298E-02 0.008447 0.707E-04 19383.2709
119 -209.575819 0.442E-03 0.358522 0.294E-02 0.008454 0.697E-04 19450.9936
120 -209.575852 0.440E-03 0.358772 0.292E-02 0.008459 0.692E-04 19528.2049
121 -209.575816 0.438E-03 0.358548 0.291E-02 0.008453 0.689E-04 19551.0747
123 -209.575725 0.435E-03 0.358058 0.288E-02 0.008436 0.688E-04 19698.7526
124 -209.575787 0.435E-03 0.358508 0.289E-02 0.008445 0.685E-04 19715.2397
125 -209.575780 0.431E-03 0.358409 0.287E-02 0.008445 0.680E-04 19850.0588
126 -209.575848 0.433E-03 0.358865 0.288E-02 0.008456 0.683E-04 19881.5559
127 -209.575910 0.435E-03 0.359275 0.289E-02 0.008465 0.684E-04 19953.2585
128 -209.575940 0.432E-03 0.359480 0.287E-02 0.008470 0.680E-04 20019.9117
129 -209.575965 0.429E-03 0.359625 0.285E-02 0.008473 0.676E-04 20046.8473
131 -209.575978 0.425E-03 0.359741 0.282E-02 0.008475 0.669E-04 20121.8181
133 -209.575986 0.419E-03 0.359760 0.278E-02 0.008477 0.659E-04 20171.0096
134 -209.576051 0.419E-03 0.360191 0.278E-02 0.008487 0.660E-04 20216.5890
136 -209.576003 0.415E-03 0.359842 0.275E-02 0.008480 0.653E-04 20292.0307
137 -209.576023 0.412E-03 0.359972 0.274E-02 0.008484 0.650E-04 20382.3124
138 -209.576113 0.419E-03 0.360573 0.278E-02 0.008497 0.659E-04 20384.3456
139 -209.576059 0.420E-03 0.360212 0.279E-02 0.008489 0.660E-04 20458.4948
140 -209.576021 0.418E-03 0.359972 0.278E-02 0.008483 0.658E-04 20480.2279
141 -209.576020 0.415E-03 0.359985 0.276E-02 0.008481 0.653E-04 20521.0423
142 -209.576016 0.412E-03 0.359951 0.274E-02 0.008481 0.648E-04 20553.5069
143 -209.576028 0.409E-03 0.360014 0.271E-02 0.008483 0.643E-04 20657.3290
144 -209.575977 0.409E-03 0.359705 0.271E-02 0.008475 0.644E-04 20691.3052
145 -209.575934 0.409E-03 0.359442 0.271E-02 0.008467 0.644E-04 20722.9286
147 -209.575949 0.405E-03 0.359557 0.268E-02 0.008469 0.638E-04 20825.4111
148 -209.575916 0.403E-03 0.359330 0.267E-02 0.008465 0.635E-04 20893.9559
149 -209.575924 0.401E-03 0.359430 0.266E-02 0.008465 0.631E-04 20905.5794
150 -209.575904 0.398E-03 0.359264 0.264E-02 0.008463 0.627E-04 20967.8620
151 -209.575942 0.398E-03 0.359519 0.264E-02 0.008468 0.627E-04 21029.5732
152 -209.575908 0.397E-03 0.359297 0.264E-02 0.008463 0.625E-04 21064.4789
153 -209.575900 0.395E-03 0.359266 0.262E-02 0.008461 0.622E-04 21161.5703
154 -209.575905 0.392E-03 0.359248 0.260E-02 0.008463 0.618E-04 21237.7720
155 -209.575949 0.392E-03 0.359533 0.260E-02 0.008471 0.618E-04 21320.9126
156 -209.575920 0.391E-03 0.359331 0.259E-02 0.008466 0.616E-04 21368.6789
157 -209.575922 0.388E-03 0.359347 0.257E-02 0.008467 0.612E-04 21407.1646
159 -209.575958 0.385E-03 0.359571 0.255E-02 0.008472 0.606E-04 21502.6225
160 -209.575909 0.385E-03 0.359283 0.255E-02 0.008464 0.608E-04 21577.6744
162 -209.575888 0.381E-03 0.359171 0.252E-02 0.008460 0.602E-04 21645.9726
163 -209.575893 0.379E-03 0.359225 0.251E-02 0.008460 0.598E-04 21704.6387
165 -209.575861 0.375E-03 0.359015 0.248E-02 0.008455 0.593E-04 21745.6454
167 -209.575848 0.371E-03 0.358927 0.245E-02 0.008454 0.586E-04 21823.1890
168 -209.575874 0.370E-03 0.359133 0.245E-02 0.008457 0.583E-04 21870.9466
169 -209.575843 0.369E-03 0.358942 0.244E-02 0.008452 0.582E-04 21916.1038
170 -209.575873 0.368E-03 0.359112 0.243E-02 0.008457 0.581E-04 22006.2821
171 -209.575838 0.367E-03 0.358873 0.243E-02 0.008452 0.579E-04 22085.6310
172 -209.575875 0.366E-03 0.359096 0.242E-02 0.008458 0.579E-04 22145.4991
173 -209.575837 0.366E-03 0.358827 0.242E-02 0.008452 0.578E-04 22171.4773
174 -209.575826 0.364E-03 0.358741 0.241E-02 0.008451 0.575E-04 22244.3105
175 -209.575790 0.364E-03 0.358503 0.241E-02 0.008446 0.574E-04 22312.8891
176 -209.575802 0.362E-03 0.358620 0.240E-02 0.008447 0.571E-04 22341.5395
177 -209.575793 0.360E-03 0.358599 0.239E-02 0.008444 0.568E-04 22375.9571
179 -209.575747 0.358E-03 0.358307 0.237E-02 0.008437 0.565E-04 22415.3285
180 -209.575767 0.356E-03 0.358423 0.236E-02 0.008440 0.563E-04 22421.3880
181 -209.575735 0.356E-03 0.358206 0.236E-02 0.008436 0.562E-04 22500.4777
182 -209.575772 0.354E-03 0.358494 0.235E-02 0.008440 0.559E-04 22543.7669
184 -209.575776 0.351E-03 0.358560 0.232E-02 0.008440 0.553E-04 22589.9373
186 -209.575825 0.350E-03 0.358909 0.232E-02 0.008447 0.552E-04 22657.0321
187 -209.575813 0.349E-03 0.358850 0.231E-02 0.008445 0.549E-04 22676.7341
188 -209.575843 0.348E-03 0.359043 0.230E-02 0.008450 0.549E-04 22709.1730
189 -209.575803 0.349E-03 0.358776 0.231E-02 0.008443 0.549E-04 22757.3221
190 -209.575822 0.347E-03 0.358932 0.230E-02 0.008446 0.547E-04 22838.5493
191 -209.575813 0.346E-03 0.358842 0.229E-02 0.008445 0.544E-04 22877.3511
192 -209.575861 0.348E-03 0.359159 0.230E-02 0.008453 0.548E-04 22926.3779
194 -209.575868 0.344E-03 0.359195 0.228E-02 0.008454 0.542E-04 23047.8461
196 -209.575918 0.343E-03 0.359525 0.227E-02 0.008462 0.540E-04 23094.1121
197 -209.575905 0.341E-03 0.359458 0.226E-02 0.008459 0.538E-04 23147.2855
198 -209.575884 0.340E-03 0.359316 0.225E-02 0.008456 0.536E-04 23199.9219
199 -209.575918 0.340E-03 0.359555 0.225E-02 0.008461 0.535E-04 23213.3204
201 -209.575936 0.337E-03 0.359680 0.223E-02 0.008464 0.530E-04 23261.7644
203 -209.575965 0.338E-03 0.359827 0.223E-02 0.008469 0.534E-04 23347.2954
204 -209.575971 0.337E-03 0.359869 0.222E-02 0.008470 0.531E-04 23355.5824
205 -209.575974 0.335E-03 0.359845 0.221E-02 0.008471 0.529E-04 23384.4032
207 -209.576009 0.334E-03 0.360076 0.220E-02 0.008477 0.529E-04 23430.0991
208 -209.576006 0.333E-03 0.360060 0.219E-02 0.008477 0.526E-04 23499.7337
210 -209.576051 0.331E-03 0.360324 0.218E-02 0.008484 0.524E-04 23536.3673
212 -209.576021 0.330E-03 0.360122 0.217E-02 0.008479 0.522E-04 23552.8610
213 -209.575998 0.329E-03 0.359993 0.217E-02 0.008475 0.521E-04 23597.3987
215 -209.575987 0.327E-03 0.359891 0.215E-02 0.008474 0.518E-04 23688.0553
216 -209.575960 0.327E-03 0.359699 0.215E-02 0.008470 0.517E-04 23720.3536
217 -209.575991 0.326E-03 0.359870 0.215E-02 0.008476 0.517E-04 23765.2723
218 -209.576017 0.326E-03 0.360036 0.214E-02 0.008480 0.517E-04 23858.6502
220 -209.576013 0.325E-03 0.360009 0.214E-02 0.008480 0.515E-04 23887.9265
221 -209.576034 0.325E-03 0.360191 0.214E-02 0.008482 0.514E-04 23935.1161
223 -209.576034 0.322E-03 0.360230 0.212E-02 0.008481 0.509E-04 23985.3553
224 -209.576005 0.322E-03 0.360051 0.212E-02 0.008476 0.509E-04 24057.0652
226 -209.576003 0.319E-03 0.360060 0.210E-02 0.008475 0.505E-04 24103.8371
228 -209.575949 0.319E-03 0.359683 0.210E-02 0.008468 0.503E-04 24207.2676
229 -209.575964 0.316E-03 0.359784 0.208E-02 0.008470 0.500E-04 24225.8572
230 -209.575968 0.315E-03 0.359817 0.207E-02 0.008470 0.498E-04 24271.9484
231 -209.575966 0.313E-03 0.359829 0.206E-02 0.008469 0.496E-04 24345.7039
232 -209.575967 0.312E-03 0.359832 0.205E-02 0.008470 0.494E-04 24395.6082
234 -209.576012 0.312E-03 0.360105 0.205E-02 0.008477 0.495E-04 24440.0943
235 -209.576006 0.311E-03 0.360073 0.204E-02 0.008476 0.493E-04 24488.7917
237 -209.575981 0.309E-03 0.359909 0.203E-02 0.008473 0.489E-04 24513.7814
239 -209.576008 0.307E-03 0.360134 0.202E-02 0.008476 0.486E-04 24552.3334
240 -209.576007 0.306E-03 0.360176 0.202E-02 0.008474 0.485E-04 24560.3287
242 -209.575981 0.304E-03 0.360057 0.200E-02 0.008469 0.482E-04 24609.4710
244 -209.575996 0.303E-03 0.360130 0.199E-02 0.008472 0.481E-04 24713.4200
245 -209.576044 0.306E-03 0.360390 0.200E-02 0.008481 0.487E-04 24731.2045
247 -209.575997 0.306E-03 0.360071 0.200E-02 0.008474 0.487E-04 24780.0636
248 -209.575969 0.306E-03 0.359893 0.200E-02 0.008469 0.487E-04 24821.2219
250 -209.575977 0.304E-03 0.359982 0.199E-02 0.008470 0.483E-04 24875.4620
251 -209.575996 0.303E-03 0.360076 0.198E-02 0.008473 0.483E-04 24901.6351
252 -209.575993 0.302E-03 0.360056 0.198E-02 0.008473 0.481E-04 24956.0664
254 -209.575964 0.300E-03 0.359855 0.197E-02 0.008468 0.479E-04 24985.5120
255 -209.575980 0.300E-03 0.359977 0.196E-02 0.008471 0.477E-04 25047.8972
256 -209.575962 0.298E-03 0.359807 0.195E-02 0.008469 0.474E-04 25055.6544
257 -209.575968 0.297E-03 0.359878 0.195E-02 0.008469 0.472E-04 25110.9955
258 -209.575948 0.296E-03 0.359759 0.194E-02 0.008466 0.472E-04 25154.7654
259 -209.575965 0.296E-03 0.359883 0.194E-02 0.008468 0.470E-04 25217.2331
260 -209.575973 0.295E-03 0.359930 0.193E-02 0.008470 0.469E-04 25237.7990
261 -209.575975 0.294E-03 0.359929 0.193E-02 0.008470 0.467E-04 25279.8664
263 -209.575987 0.292E-03 0.359992 0.192E-02 0.008472 0.465E-04 25321.3066
264 -209.576010 0.292E-03 0.360111 0.192E-02 0.008477 0.465E-04 25406.7944
266 -209.576036 0.291E-03 0.360260 0.191E-02 0.008482 0.463E-04 25463.0345
267 -209.576042 0.290E-03 0.360263 0.190E-02 0.008483 0.461E-04 25488.3301
268 -209.576026 0.289E-03 0.360147 0.189E-02 0.008481 0.460E-04 25540.5009
269 -209.576011 0.288E-03 0.360055 0.189E-02 0.008479 0.459E-04 25560.7270
270 -209.576006 0.287E-03 0.360033 0.188E-02 0.008478 0.457E-04 25624.2926
271 -209.575990 0.287E-03 0.359930 0.188E-02 0.008475 0.456E-04 25656.3778
272 -209.576027 0.288E-03 0.360134 0.189E-02 0.008482 0.457E-04 25727.3502
275 -209.576030 0.285E-03 0.360099 0.187E-02 0.008484 0.453E-04 25745.6030
276 -209.576030 0.284E-03 0.360075 0.186E-02 0.008484 0.452E-04 25797.1884
277 -209.575996 0.285E-03 0.359855 0.187E-02 0.008479 0.453E-04 25825.2785
278 -209.576020 0.285E-03 0.360024 0.187E-02 0.008482 0.453E-04 25867.7933
279 -209.576032 0.284E-03 0.360101 0.186E-02 0.008484 0.452E-04 25876.6897
280 -209.576041 0.283E-03 0.360167 0.186E-02 0.008486 0.450E-04 25916.8539
283 -209.576032 0.281E-03 0.360150 0.185E-02 0.008483 0.447E-04 25960.9284
284 -209.576058 0.282E-03 0.360323 0.185E-02 0.008487 0.448E-04 25994.4803
286 -209.576050 0.279E-03 0.360208 0.183E-02 0.008488 0.444E-04 26045.7066
287 -209.576066 0.279E-03 0.360323 0.183E-02 0.008490 0.443E-04 26084.0271
288 -209.576041 0.279E-03 0.360142 0.183E-02 0.008486 0.443E-04 26133.2692
290 -209.576093 0.280E-03 0.360458 0.184E-02 0.008495 0.445E-04 26159.1888
291 -209.576093 0.279E-03 0.360431 0.183E-02 0.008496 0.444E-04 26201.1072
292 -209.576106 0.278E-03 0.360512 0.183E-02 0.008498 0.443E-04 26249.1670
293 -209.576105 0.277E-03 0.360490 0.182E-02 0.008498 0.441E-04 26299.3037
294 -209.576096 0.277E-03 0.360442 0.182E-02 0.008496 0.440E-04 26325.4076
296 -209.576103 0.276E-03 0.360454 0.181E-02 0.008498 0.440E-04 26379.9803
297 -209.576097 0.275E-03 0.360428 0.180E-02 0.008497 0.439E-04 26418.5884
299 -209.576113 0.275E-03 0.360535 0.180E-02 0.008500 0.438E-04 26492.5980
302 -209.576132 0.274E-03 0.360671 0.179E-02 0.008503 0.437E-04 26562.4257
303 -209.576118 0.273E-03 0.360559 0.179E-02 0.008501 0.436E-04 26588.2685
305 -209.576117 0.271E-03 0.360522 0.178E-02 0.008501 0.433E-04 26634.3920
306 -209.576105 0.271E-03 0.360451 0.178E-02 0.008499 0.432E-04 26661.0452
307 -209.576104 0.270E-03 0.360437 0.177E-02 0.008499 0.430E-04 26730.3716
308 -209.576101 0.269E-03 0.360422 0.176E-02 0.008498 0.429E-04 26758.6741
310 -209.576105 0.268E-03 0.360440 0.176E-02 0.008499 0.427E-04 26829.8683
311 -209.576111 0.267E-03 0.360474 0.175E-02 0.008500 0.426E-04 26886.6872
312 -209.576125 0.266E-03 0.360583 0.175E-02 0.008502 0.425E-04 26943.1065
314 -209.576123 0.266E-03 0.360541 0.175E-02 0.008502 0.424E-04 26970.5433
316 -209.576129 0.265E-03 0.360609 0.174E-02 0.008503 0.422E-04 26997.3786
317 -209.576104 0.266E-03 0.360449 0.174E-02 0.008499 0.423E-04 27064.3572
318 -209.576108 0.265E-03 0.360449 0.173E-02 0.008500 0.422E-04 27094.2228
319 -209.576097 0.264E-03 0.360373 0.173E-02 0.008498 0.421E-04 27111.9905
320 -209.576100 0.263E-03 0.360405 0.172E-02 0.008498 0.420E-04 27138.5068
322 -209.576087 0.262E-03 0.360310 0.172E-02 0.008496 0.417E-04 27207.3037
323 -209.576072 0.261E-03 0.360208 0.171E-02 0.008494 0.417E-04 27221.4525
324 -209.576086 0.261E-03 0.360302 0.171E-02 0.008496 0.416E-04 27227.4575
325 -209.576089 0.260E-03 0.360317 0.171E-02 0.008497 0.415E-04 27280.7222
327 -209.576071 0.259E-03 0.360188 0.170E-02 0.008494 0.413E-04 27301.0227
328 -209.576091 0.259E-03 0.360353 0.170E-02 0.008497 0.413E-04 27338.8629
329 -209.576074 0.259E-03 0.360254 0.170E-02 0.008494 0.413E-04 27395.5660
331 -209.576115 0.259E-03 0.360521 0.170E-02 0.008500 0.413E-04 27472.3691
335 -209.576172 0.265E-03 0.360914 0.175E-02 0.008509 0.420E-04 27503.6880
338 -209.576152 0.263E-03 0.360769 0.173E-02 0.008506 0.417E-04 27548.9053
339 -209.576150 0.262E-03 0.360754 0.173E-02 0.008506 0.416E-04 27563.1416
342 -209.576147 0.261E-03 0.360711 0.172E-02 0.008506 0.414E-04 27635.7142
343 -209.576164 0.261E-03 0.360868 0.172E-02 0.008508 0.413E-04 27639.7576
344 -209.576161 0.260E-03 0.360862 0.172E-02 0.008507 0.412E-04 27671.4549
346 -209.576157 0.261E-03 0.360814 0.172E-02 0.008507 0.413E-04 27732.6378
347 -209.576161 0.260E-03 0.360818 0.171E-02 0.008508 0.412E-04 27784.2074
348 -209.576151 0.259E-03 0.360738 0.171E-02 0.008507 0.411E-04 27805.9924
349 -209.576131 0.259E-03 0.360607 0.171E-02 0.008503 0.411E-04 27809.0903
350 -209.576129 0.259E-03 0.360590 0.171E-02 0.008503 0.410E-04 27841.9597
351 -209.576122 0.258E-03 0.360516 0.170E-02 0.008503 0.409E-04 27888.6013
352 -209.576113 0.257E-03 0.360467 0.170E-02 0.008501 0.408E-04 27938.0141
353 -209.576100 0.257E-03 0.360382 0.170E-02 0.008499 0.407E-04 27949.6989
356 -209.576089 0.254E-03 0.360312 0.168E-02 0.008497 0.403E-04 27973.9082
357 -209.576094 0.254E-03 0.360338 0.168E-02 0.008498 0.402E-04 28008.9692
359 -209.576088 0.252E-03 0.360322 0.167E-02 0.008497 0.400E-04 28070.0437
360 -209.576078 0.252E-03 0.360255 0.166E-02 0.008495 0.399E-04 28119.1358
361 -209.576073 0.251E-03 0.360211 0.166E-02 0.008495 0.398E-04 28142.9238
362 -209.576061 0.251E-03 0.360124 0.166E-02 0.008493 0.397E-04 28178.1322
363 -209.576063 0.250E-03 0.360150 0.165E-02 0.008493 0.396E-04 28222.2018
364 -209.576038 0.251E-03 0.359988 0.166E-02 0.008489 0.397E-04 28238.4338
366 -209.576045 0.251E-03 0.360043 0.165E-02 0.008490 0.397E-04 28278.8093
367 -209.576043 0.250E-03 0.360030 0.165E-02 0.008490 0.396E-04 28304.0700
368 -209.576042 0.249E-03 0.360015 0.164E-02 0.008490 0.395E-04 28313.1100
369 -209.576053 0.249E-03 0.360051 0.164E-02 0.008493 0.395E-04 28356.1392
371 -209.576052 0.248E-03 0.360023 0.163E-02 0.008493 0.395E-04 28389.4880
372 -209.576074 0.249E-03 0.360163 0.164E-02 0.008497 0.395E-04 28449.2065
373 -209.576061 0.248E-03 0.360073 0.163E-02 0.008494 0.395E-04 28452.2482
374 -209.576053 0.247E-03 0.360047 0.163E-02 0.008492 0.393E-04 28480.2342
375 -209.576075 0.248E-03 0.360192 0.163E-02 0.008496 0.394E-04 28526.1858
378 -209.576089 0.247E-03 0.360279 0.163E-02 0.008499 0.393E-04 28574.0313
379 -209.576073 0.247E-03 0.360166 0.163E-02 0.008496 0.393E-04 28622.2429
380 -209.576085 0.247E-03 0.360250 0.163E-02 0.008498 0.392E-04 28649.1612
382 -209.576094 0.246E-03 0.360322 0.162E-02 0.008499 0.390E-04 28724.5336
383 -209.576083 0.245E-03 0.360254 0.161E-02 0.008497 0.390E-04 28742.0181
384 -209.576108 0.246E-03 0.360442 0.162E-02 0.008501 0.390E-04 28794.0114
385 -209.576106 0.245E-03 0.360445 0.162E-02 0.008500 0.389E-04 28815.5563
386 -209.576088 0.245E-03 0.360322 0.162E-02 0.008497 0.389E-04 28882.3356
387 -209.576105 0.245E-03 0.360464 0.162E-02 0.008499 0.389E-04 28902.3286
388 -209.576110 0.245E-03 0.360489 0.162E-02 0.008500 0.388E-04 28909.2906
389 -209.576093 0.244E-03 0.360398 0.161E-02 0.008497 0.388E-04 28950.9700
390 -209.576087 0.244E-03 0.360366 0.161E-02 0.008496 0.387E-04 28960.3949
392 -209.576062 0.244E-03 0.360197 0.161E-02 0.008492 0.386E-04 28986.2982
394 -209.576065 0.243E-03 0.360215 0.160E-02 0.008493 0.387E-04 29076.7342
395 -209.576066 0.243E-03 0.360186 0.160E-02 0.008494 0.386E-04 29118.8676
396 -209.576063 0.242E-03 0.360162 0.160E-02 0.008494 0.385E-04 29123.6213
398 -209.576067 0.241E-03 0.360211 0.159E-02 0.008494 0.383E-04 29154.4778
401 -209.576056 0.240E-03 0.360145 0.159E-02 0.008492 0.381E-04 29219.9830
402 -209.576061 0.240E-03 0.360150 0.158E-02 0.008493 0.380E-04 29243.7133
403 -209.576078 0.240E-03 0.360242 0.158E-02 0.008496 0.381E-04 29293.4499
404 -209.576080 0.239E-03 0.360265 0.158E-02 0.008496 0.380E-04 29314.9314
405 -209.576078 0.238E-03 0.360257 0.157E-02 0.008496 0.379E-04 29323.7849
406 -209.576081 0.238E-03 0.360260 0.157E-02 0.008497 0.378E-04 29388.0856
407 -209.576080 0.237E-03 0.360241 0.157E-02 0.008497 0.377E-04 29399.8486
408 -209.576079 0.237E-03 0.360224 0.156E-02 0.008497 0.376E-04 29408.6359
409 -209.576081 0.236E-03 0.360239 0.156E-02 0.008497 0.375E-04 29411.7034
411 -209.576094 0.235E-03 0.360336 0.155E-02 0.008499 0.374E-04 29503.9911
416 -209.576096 0.234E-03 0.360392 0.155E-02 0.008498 0.372E-04 29558.5402
417 -209.576102 0.234E-03 0.360434 0.155E-02 0.008499 0.371E-04 29569.5431
418 -209.576097 0.233E-03 0.360396 0.154E-02 0.008499 0.370E-04 29579.6614
420 -209.576103 0.233E-03 0.360458 0.154E-02 0.008499 0.369E-04 29653.4896
421 -209.576123 0.233E-03 0.360535 0.154E-02 0.008503 0.369E-04 29676.6220
422 -209.576112 0.232E-03 0.360475 0.154E-02 0.008502 0.369E-04 29737.4875
423 -209.576114 0.232E-03 0.360501 0.153E-02 0.008502 0.368E-04 29748.7774
424 -209.576119 0.231E-03 0.360523 0.153E-02 0.008503 0.367E-04 29791.8265
425 -209.576113 0.231E-03 0.360479 0.153E-02 0.008502 0.366E-04 29798.2319
426 -209.576107 0.230E-03 0.360439 0.152E-02 0.008501 0.366E-04 29818.0695
428 -209.576135 0.230E-03 0.360645 0.152E-02 0.008505 0.365E-04 29845.0202
430 -209.576143 0.230E-03 0.360695 0.152E-02 0.008506 0.364E-04 29907.5378
431 -209.576181 0.232E-03 0.360961 0.154E-02 0.008512 0.367E-04 29918.7403
432 -209.576188 0.232E-03 0.360999 0.154E-02 0.008513 0.367E-04 29974.6355
433 -209.576179 0.231E-03 0.360943 0.153E-02 0.008511 0.366E-04 29983.1430
436 -209.576147 0.231E-03 0.360760 0.153E-02 0.008506 0.365E-04 30013.6733
438 -209.576129 0.230E-03 0.360646 0.153E-02 0.008503 0.365E-04 30062.5282
439 -209.576135 0.230E-03 0.360683 0.152E-02 0.008504 0.364E-04 30083.6722
441 -209.576111 0.229E-03 0.360520 0.152E-02 0.008500 0.363E-04 30142.0156
442 -209.576126 0.229E-03 0.360593 0.152E-02 0.008503 0.363E-04 30181.9651
446 -209.576126 0.229E-03 0.360619 0.151E-02 0.008502 0.362E-04 30253.3609
450 -209.576095 0.227E-03 0.360420 0.150E-02 0.008497 0.360E-04 30294.6347
452 -209.576089 0.226E-03 0.360389 0.150E-02 0.008496 0.358E-04 30315.1365
453 -209.576077 0.226E-03 0.360315 0.149E-02 0.008494 0.358E-04 30351.3393
455 -209.576085 0.225E-03 0.360377 0.149E-02 0.008496 0.357E-04 30421.7278
457 -209.576103 0.225E-03 0.360485 0.149E-02 0.008499 0.356E-04 30460.1585
459 -209.576093 0.224E-03 0.360430 0.148E-02 0.008497 0.355E-04 30482.5502
462 -209.576065 0.223E-03 0.360243 0.147E-02 0.008492 0.354E-04 30521.3075
465 -209.576085 0.222E-03 0.360403 0.147E-02 0.008495 0.352E-04 30566.1011
466 -209.576091 0.221E-03 0.360452 0.146E-02 0.008496 0.351E-04 30577.3015
467 -209.576096 0.221E-03 0.360496 0.146E-02 0.008496 0.350E-04 30589.3890
470 -209.576102 0.220E-03 0.360546 0.146E-02 0.008497 0.349E-04 30628.1091
472 -209.576091 0.219E-03 0.360462 0.145E-02 0.008495 0.347E-04 30651.9830
473 -209.576076 0.219E-03 0.360364 0.145E-02 0.008493 0.347E-04 30693.1644
475 -209.576082 0.219E-03 0.360410 0.145E-02 0.008494 0.346E-04 30745.2763
476 -209.576090 0.218E-03 0.360467 0.144E-02 0.008495 0.346E-04 30768.1463
480 -209.576075 0.217E-03 0.360371 0.144E-02 0.008493 0.344E-04 30826.1163
481 -209.576060 0.217E-03 0.360267 0.144E-02 0.008491 0.344E-04 30855.0833
482 -209.576054 0.217E-03 0.360242 0.144E-02 0.008489 0.343E-04 30861.1316
483 -209.576046 0.217E-03 0.360177 0.143E-02 0.008488 0.343E-04 30915.4185
484 -209.576049 0.216E-03 0.360190 0.143E-02 0.008489 0.342E-04 30938.8349
485 -209.576052 0.216E-03 0.360188 0.143E-02 0.008490 0.342E-04 30966.7893
487 -209.576059 0.216E-03 0.360229 0.143E-02 0.008491 0.343E-04 30991.1701
488 -209.576056 0.216E-03 0.360198 0.143E-02 0.008491 0.342E-04 31024.6688
489 -209.576046 0.216E-03 0.360140 0.143E-02 0.008489 0.342E-04 31030.0971
490 -209.576056 0.215E-03 0.360195 0.142E-02 0.008491 0.341E-04 31089.8064
491 -209.576057 0.215E-03 0.360222 0.142E-02 0.008491 0.341E-04 31102.8359
492 -209.576060 0.215E-03 0.360252 0.142E-02 0.008491 0.340E-04 31133.1435
493 -209.576053 0.214E-03 0.360202 0.142E-02 0.008490 0.340E-04 31158.5925
495 -209.576065 0.214E-03 0.360299 0.141E-02 0.008491 0.338E-04 31202.2604
497 -209.576066 0.213E-03 0.360300 0.141E-02 0.008492 0.338E-04 31270.1921
502 -209.576031 0.212E-03 0.360040 0.140E-02 0.008487 0.336E-04 31299.8869
504 -209.576036 0.211E-03 0.360094 0.140E-02 0.008487 0.335E-04 31327.1639
507 -209.576046 0.210E-03 0.360175 0.139E-02 0.008488 0.333E-04 31372.5952
511 -209.576047 0.209E-03 0.360168 0.138E-02 0.008489 0.331E-04 31421.2336
513 -209.576039 0.208E-03 0.360095 0.138E-02 0.008488 0.330E-04 31441.9917
516 -209.576026 0.207E-03 0.360016 0.137E-02 0.008486 0.328E-04 31469.0363
518 -209.576051 0.207E-03 0.360167 0.137E-02 0.008490 0.329E-04 31495.2010
519 -209.576054 0.207E-03 0.360194 0.137E-02 0.008491 0.328E-04 31531.3832
520 -209.576066 0.207E-03 0.360259 0.137E-02 0.008492 0.328E-04 31542.1169
521 -209.576053 0.207E-03 0.360178 0.137E-02 0.008490 0.328E-04 31584.5802
523 -209.576051 0.207E-03 0.360171 0.137E-02 0.008490 0.328E-04 31590.8918
525 -209.576047 0.206E-03 0.360141 0.136E-02 0.008490 0.327E-04 31606.9541
527 -209.576061 0.206E-03 0.360236 0.136E-02 0.008492 0.326E-04 31635.8845
528 -209.576065 0.205E-03 0.360268 0.136E-02 0.008492 0.326E-04 31664.6403
530 -209.576057 0.205E-03 0.360218 0.135E-02 0.008491 0.326E-04 31699.2881
531 -209.576062 0.205E-03 0.360253 0.135E-02 0.008491 0.325E-04 31710.0485
532 -209.576069 0.205E-03 0.360304 0.135E-02 0.008492 0.325E-04 31769.0018
534 -209.576051 0.204E-03 0.360185 0.135E-02 0.008490 0.324E-04 31777.7511
535 -209.576050 0.204E-03 0.360183 0.135E-02 0.008490 0.324E-04 31800.0905
537 -209.576043 0.203E-03 0.360142 0.134E-02 0.008488 0.322E-04 31838.1045
539 -209.576047 0.203E-03 0.360161 0.134E-02 0.008489 0.322E-04 31879.9493
543 -209.576052 0.202E-03 0.360191 0.133E-02 0.008490 0.320E-04 31922.4595
544 -209.576046 0.201E-03 0.360162 0.133E-02 0.008489 0.320E-04 31945.3153
545 -209.576060 0.202E-03 0.360258 0.133E-02 0.008491 0.320E-04 31968.1135
546 -209.576056 0.201E-03 0.360227 0.133E-02 0.008490 0.319E-04 31996.9908
547 -209.576060 0.201E-03 0.360247 0.133E-02 0.008491 0.319E-04 32007.6551
548 -209.576052 0.201E-03 0.360187 0.133E-02 0.008490 0.319E-04 32050.5980
552 -209.576062 0.200E-03 0.360258 0.132E-02 0.008492 0.317E-04 32094.2931
553 -209.576054 0.200E-03 0.360208 0.132E-02 0.008490 0.317E-04 32113.3881
554 -209.576054 0.200E-03 0.360203 0.132E-02 0.008490 0.317E-04 32135.4407
556 -209.576057 0.199E-03 0.360223 0.131E-02 0.008491 0.316E-04 32178.6284
557 -209.576076 0.199E-03 0.360358 0.132E-02 0.008493 0.316E-04 32200.5359
558 -209.576075 0.199E-03 0.360357 0.132E-02 0.008493 0.315E-04 32222.0944
559 -209.576064 0.199E-03 0.360281 0.132E-02 0.008492 0.315E-04 32264.2996
560 -209.576053 0.199E-03 0.360212 0.132E-02 0.008490 0.315E-04 32282.1387
562 -209.576041 0.198E-03 0.360120 0.131E-02 0.008488 0.314E-04 32304.5144
563 -209.576045 0.198E-03 0.360147 0.131E-02 0.008489 0.314E-04 32347.6234
564 -209.576037 0.198E-03 0.360103 0.131E-02 0.008487 0.314E-04 32371.4665
565 -209.576052 0.198E-03 0.360196 0.131E-02 0.008490 0.314E-04 32395.3966
567 -209.576043 0.197E-03 0.360104 0.130E-02 0.008489 0.313E-04 32441.7192
568 -209.576050 0.197E-03 0.360163 0.130E-02 0.008490 0.312E-04 32471.5775
570 -209.576042 0.196E-03 0.360102 0.130E-02 0.008489 0.311E-04 32521.7063
573 -209.576039 0.195E-03 0.360070 0.129E-02 0.008489 0.310E-04 32567.0377
576 -209.576056 0.195E-03 0.360175 0.129E-02 0.008491 0.309E-04 32621.0045
577 -209.576055 0.194E-03 0.360152 0.129E-02 0.008492 0.308E-04 32639.6327
578 -209.576053 0.194E-03 0.360140 0.128E-02 0.008491 0.308E-04 32667.0078
580 -209.576042 0.194E-03 0.360072 0.128E-02 0.008489 0.307E-04 32688.9918
582 -209.576052 0.193E-03 0.360119 0.128E-02 0.008492 0.306E-04 32709.2524
583 -209.576044 0.193E-03 0.360056 0.128E-02 0.008490 0.306E-04 32739.1971
584 -209.576041 0.193E-03 0.360034 0.128E-02 0.008490 0.305E-04 32774.6792
585 -209.576034 0.192E-03 0.359992 0.127E-02 0.008489 0.305E-04 32786.8522
586 -209.576048 0.193E-03 0.360082 0.127E-02 0.008491 0.305E-04 32805.2395
587 -209.576050 0.192E-03 0.360102 0.127E-02 0.008491 0.305E-04 32857.7538
589 -209.576047 0.192E-03 0.360085 0.127E-02 0.008491 0.304E-04 32878.4723
591 -209.576047 0.191E-03 0.360089 0.127E-02 0.008491 0.303E-04 32906.8626
593 -209.576040 0.191E-03 0.360045 0.126E-02 0.008489 0.302E-04 32955.0223
594 -209.576034 0.191E-03 0.360017 0.126E-02 0.008488 0.302E-04 32972.1540
595 -209.576026 0.190E-03 0.359972 0.126E-02 0.008487 0.302E-04 33003.9323
597 -209.576021 0.190E-03 0.359930 0.126E-02 0.008486 0.301E-04 33028.7948
599 -209.576013 0.189E-03 0.359874 0.125E-02 0.008485 0.300E-04 33046.9255
601 -209.576006 0.188E-03 0.359837 0.125E-02 0.008484 0.299E-04 33077.7199
602 -209.576012 0.188E-03 0.359883 0.124E-02 0.008485 0.298E-04 33134.0053
606 -209.576015 0.187E-03 0.359863 0.124E-02 0.008486 0.297E-04 33140.6165
607 -209.576024 0.187E-03 0.359926 0.124E-02 0.008487 0.297E-04 33170.6692
608 -209.576027 0.187E-03 0.359960 0.124E-02 0.008488 0.297E-04 33216.5797
609 -209.576025 0.187E-03 0.359947 0.124E-02 0.008487 0.296E-04 33243.9353
611 -209.576038 0.186E-03 0.360030 0.123E-02 0.008489 0.296E-04 33281.3311
612 -209.576039 0.186E-03 0.360033 0.123E-02 0.008490 0.295E-04 33310.5782
614 -209.576028 0.186E-03 0.359973 0.123E-02 0.008488 0.295E-04 33336.9528
616 -209.576027 0.185E-03 0.359970 0.122E-02 0.008488 0.294E-04 33363.1648
617 -209.576025 0.185E-03 0.359961 0.122E-02 0.008487 0.293E-04 33384.1714
618 -209.576012 0.185E-03 0.359880 0.122E-02 0.008485 0.293E-04 33413.8105
622 -209.575993 0.184E-03 0.359764 0.122E-02 0.008482 0.293E-04 33466.7740
623 -209.575994 0.184E-03 0.359772 0.122E-02 0.008482 0.292E-04 33480.3322
625 -209.575975 0.184E-03 0.359643 0.122E-02 0.008479 0.292E-04 33530.4515
626 -209.575969 0.184E-03 0.359591 0.122E-02 0.008478 0.292E-04 33555.0783
627 -209.575967 0.184E-03 0.359582 0.122E-02 0.008478 0.292E-04 33585.5647
632 -209.575968 0.184E-03 0.359584 0.122E-02 0.008478 0.292E-04 33634.9599
633 -209.575961 0.184E-03 0.359533 0.122E-02 0.008477 0.291E-04 33649.1447
634 -209.575967 0.184E-03 0.359557 0.121E-02 0.008479 0.291E-04 33675.2006
637 -209.575962 0.183E-03 0.359527 0.121E-02 0.008478 0.290E-04 33698.6792
638 -209.575959 0.183E-03 0.359538 0.121E-02 0.008477 0.290E-04 33721.2367
639 -209.575969 0.183E-03 0.359600 0.121E-02 0.008478 0.290E-04 33753.1740
640 -209.575968 0.183E-03 0.359609 0.121E-02 0.008478 0.289E-04 33793.0287
641 -209.575957 0.183E-03 0.359532 0.121E-02 0.008476 0.290E-04 33803.7611
642 -209.575957 0.182E-03 0.359535 0.120E-02 0.008476 0.289E-04 33813.4305
645 -209.575971 0.182E-03 0.359617 0.120E-02 0.008478 0.288E-04 33882.8302
647 -209.575967 0.181E-03 0.359598 0.120E-02 0.008478 0.287E-04 33889.2740
651 -209.576012 0.182E-03 0.359894 0.120E-02 0.008485 0.288E-04 33923.9221
653 -209.576019 0.181E-03 0.359938 0.120E-02 0.008486 0.288E-04 33960.2510
656 -209.576019 0.181E-03 0.359938 0.120E-02 0.008486 0.287E-04 33974.7218
657 -209.576019 0.181E-03 0.359943 0.119E-02 0.008486 0.286E-04 33984.2469
658 -209.576012 0.180E-03 0.359891 0.119E-02 0.008485 0.286E-04 34009.2929
661 -209.576013 0.180E-03 0.359903 0.119E-02 0.008485 0.285E-04 34059.8801
663 -209.576025 0.181E-03 0.359964 0.119E-02 0.008487 0.287E-04 34091.7810
664 -209.576025 0.180E-03 0.359971 0.119E-02 0.008487 0.287E-04 34130.2642
666 -209.576034 0.180E-03 0.360023 0.119E-02 0.008489 0.286E-04 34153.3550
669 -209.576054 0.180E-03 0.360145 0.119E-02 0.008492 0.287E-04 34175.0972
672 -209.576051 0.180E-03 0.360127 0.119E-02 0.008492 0.286E-04 34227.4312
674 -209.576045 0.180E-03 0.360102 0.119E-02 0.008490 0.286E-04 34258.3216
677 -209.576069 0.180E-03 0.360258 0.119E-02 0.008494 0.286E-04 34294.7280
678 -209.576069 0.179E-03 0.360257 0.118E-02 0.008494 0.285E-04 34309.3491
679 -209.576068 0.179E-03 0.360262 0.118E-02 0.008494 0.285E-04 34322.1158
681 -209.576072 0.179E-03 0.360290 0.118E-02 0.008494 0.284E-04 34341.7059
682 -209.576065 0.179E-03 0.360251 0.118E-02 0.008493 0.285E-04 34386.4575
683 -209.576061 0.179E-03 0.360221 0.118E-02 0.008492 0.284E-04 34397.0461
684 -209.576055 0.179E-03 0.360184 0.118E-02 0.008491 0.284E-04 34427.5343
685 -209.576062 0.178E-03 0.360234 0.118E-02 0.008493 0.284E-04 34467.7869
686 -209.576054 0.178E-03 0.360182 0.118E-02 0.008491 0.284E-04 34492.6705
689 -209.576042 0.178E-03 0.360109 0.117E-02 0.008489 0.283E-04 34512.1304
693 -209.576047 0.177E-03 0.360134 0.117E-02 0.008490 0.282E-04 34554.0257
694 -209.576056 0.177E-03 0.360203 0.117E-02 0.008491 0.282E-04 34566.0137
695 -209.576057 0.177E-03 0.360206 0.117E-02 0.008492 0.282E-04 34598.2757
698 -209.576055 0.176E-03 0.360162 0.116E-02 0.008492 0.281E-04 34617.1634
699 -209.576055 0.176E-03 0.360162 0.116E-02 0.008492 0.280E-04 34643.5140
700 -209.576046 0.176E-03 0.360107 0.116E-02 0.008491 0.280E-04 34645.2534
701 -209.576053 0.176E-03 0.360155 0.116E-02 0.008492 0.280E-04 34678.4793
707 -209.576039 0.175E-03 0.360065 0.115E-02 0.008489 0.278E-04 34733.7749
710 -209.576041 0.174E-03 0.360090 0.115E-02 0.008489 0.277E-04 34788.7565
711 -209.576044 0.174E-03 0.360108 0.115E-02 0.008490 0.277E-04 34805.1068
713 -209.576033 0.174E-03 0.360028 0.114E-02 0.008488 0.277E-04 34829.3746
714 -209.576044 0.174E-03 0.360104 0.115E-02 0.008490 0.277E-04 34856.3173
718 -209.576054 0.173E-03 0.360140 0.114E-02 0.008492 0.276E-04 34901.0606
719 -209.576047 0.173E-03 0.360101 0.114E-02 0.008491 0.276E-04 34935.7752
720 -209.576041 0.173E-03 0.360056 0.114E-02 0.008490 0.275E-04 34956.4312
721 -209.576043 0.173E-03 0.360057 0.114E-02 0.008491 0.275E-04 34967.4365
722 -209.576051 0.173E-03 0.360115 0.114E-02 0.008492 0.275E-04 34981.1234
725 -209.576031 0.173E-03 0.359972 0.114E-02 0.008489 0.275E-04 34999.0789
727 -209.576030 0.173E-03 0.359952 0.114E-02 0.008489 0.275E-04 35023.4696
734 -209.576037 0.171E-03 0.359972 0.112E-02 0.008491 0.272E-04 35067.8022
737 -209.576031 0.171E-03 0.359940 0.112E-02 0.008490 0.272E-04 35105.0751
739 -209.576018 0.171E-03 0.359859 0.112E-02 0.008488 0.272E-04 35124.3588
740 -209.576015 0.170E-03 0.359833 0.112E-02 0.008487 0.271E-04 35135.0456
741 -209.576015 0.170E-03 0.359831 0.112E-02 0.008487 0.271E-04 35171.6361
743 -209.576012 0.170E-03 0.359820 0.112E-02 0.008487 0.271E-04 35188.3840
746 -209.576006 0.170E-03 0.359798 0.112E-02 0.008486 0.270E-04 35233.0572
747 -209.576006 0.170E-03 0.359804 0.112E-02 0.008485 0.270E-04 35272.4289
748 -209.576007 0.169E-03 0.359808 0.111E-02 0.008485 0.270E-04 35300.0696
750 -209.576009 0.169E-03 0.359828 0.111E-02 0.008486 0.269E-04 35307.2257
751 -209.576006 0.169E-03 0.359800 0.111E-02 0.008485 0.269E-04 35328.0882
756 -209.575989 0.168E-03 0.359687 0.111E-02 0.008483 0.268E-04 35341.4001
759 -209.575990 0.168E-03 0.359695 0.111E-02 0.008483 0.268E-04 35363.8132
761 -209.575988 0.168E-03 0.359691 0.111E-02 0.008482 0.267E-04 35398.8063
766 -209.576004 0.167E-03 0.359782 0.110E-02 0.008485 0.266E-04 35439.0313
768 -209.576012 0.167E-03 0.359827 0.110E-02 0.008486 0.266E-04 35478.0383
769 -209.576011 0.167E-03 0.359827 0.110E-02 0.008486 0.265E-04 35503.6536
770 -209.576015 0.167E-03 0.359839 0.110E-02 0.008487 0.265E-04 35508.8857
772 -209.576040 0.167E-03 0.360009 0.110E-02 0.008491 0.266E-04 35528.2634
775 -209.576030 0.167E-03 0.359938 0.110E-02 0.008489 0.265E-04 35566.4187
779 -209.576030 0.166E-03 0.359942 0.109E-02 0.008490 0.264E-04 35607.4392
781 -209.576027 0.166E-03 0.359916 0.109E-02 0.008489 0.263E-04 35634.9690
782 -209.576025 0.165E-03 0.359908 0.109E-02 0.008489 0.263E-04 35646.7540
784 -209.576011 0.165E-03 0.359790 0.109E-02 0.008487 0.262E-04 35654.1881
785 -209.576006 0.165E-03 0.359754 0.108E-02 0.008486 0.262E-04 35671.3972
786 -209.576012 0.165E-03 0.359790 0.108E-02 0.008487 0.262E-04 35695.6789
790 -209.576017 0.164E-03 0.359821 0.108E-02 0.008488 0.261E-04 35739.4508
795 -209.576009 0.164E-03 0.359756 0.108E-02 0.008487 0.260E-04 35776.4184
796 -209.576006 0.163E-03 0.359740 0.108E-02 0.008487 0.260E-04 35822.3133
799 -209.576020 0.163E-03 0.359813 0.107E-02 0.008489 0.259E-04 35847.2441
800 -209.576023 0.163E-03 0.359835 0.107E-02 0.008490 0.259E-04 35861.2087
804 -209.576001 0.163E-03 0.359691 0.107E-02 0.008486 0.259E-04 35903.9188
807 -209.575993 0.162E-03 0.359641 0.107E-02 0.008485 0.258E-04 35946.8950
808 -209.575986 0.162E-03 0.359594 0.107E-02 0.008484 0.258E-04 35963.7520
810 -209.575972 0.162E-03 0.359500 0.107E-02 0.008482 0.258E-04 35977.8303
812 -209.575969 0.162E-03 0.359477 0.107E-02 0.008481 0.258E-04 35990.8148
817 -209.576007 0.162E-03 0.359716 0.107E-02 0.008488 0.258E-04 36030.2133
821 -209.576032 0.162E-03 0.359883 0.107E-02 0.008492 0.258E-04 36072.4492
827 -209.576046 0.161E-03 0.359976 0.106E-02 0.008494 0.257E-04 36111.7653
828 -209.576036 0.161E-03 0.359908 0.106E-02 0.008492 0.257E-04 36128.0202
831 -209.576036 0.161E-03 0.359904 0.106E-02 0.008492 0.256E-04 36147.2116
832 -209.576034 0.161E-03 0.359888 0.106E-02 0.008492 0.256E-04 36184.5667
833 -209.576022 0.161E-03 0.359813 0.106E-02 0.008490 0.256E-04 36196.6287
835 -209.576021 0.161E-03 0.359808 0.106E-02 0.008490 0.256E-04 36236.7532
836 -209.576022 0.160E-03 0.359807 0.106E-02 0.008490 0.255E-04 36241.2707
842 -209.576023 0.160E-03 0.359798 0.105E-02 0.008491 0.256E-04 36279.3236
843 -209.576021 0.160E-03 0.359788 0.105E-02 0.008490 0.255E-04 36297.4204
845 -209.576025 0.160E-03 0.359830 0.105E-02 0.008491 0.255E-04 36321.0881
846 -209.576033 0.160E-03 0.359873 0.105E-02 0.008492 0.255E-04 36338.8117
849 -209.576039 0.159E-03 0.359863 0.104E-02 0.008494 0.254E-04 36354.7313
851 -209.576038 0.159E-03 0.359852 0.104E-02 0.008494 0.253E-04 36361.8424
855 -209.576037 0.158E-03 0.359835 0.104E-02 0.008494 0.252E-04 36409.3515
859 -209.576038 0.158E-03 0.359827 0.103E-02 0.008495 0.251E-04 36448.3277
862 -209.576032 0.157E-03 0.359788 0.103E-02 0.008494 0.251E-04 36496.4115
866 -209.576032 0.158E-03 0.359797 0.103E-02 0.008493 0.251E-04 36520.5759
868 -209.576033 0.157E-03 0.359807 0.103E-02 0.008493 0.251E-04 36527.3885
872 -209.576024 0.157E-03 0.359748 0.103E-02 0.008492 0.251E-04 36576.6114
878 -209.576030 0.157E-03 0.359782 0.103E-02 0.008493 0.250E-04 36617.5406
879 -209.576026 0.157E-03 0.359752 0.103E-02 0.008493 0.250E-04 36633.0491
880 -209.576029 0.156E-03 0.359775 0.103E-02 0.008493 0.250E-04 36668.4553
883 -209.576029 0.156E-03 0.359763 0.102E-02 0.008493 0.249E-04 36710.1141
887 -209.576033 0.156E-03 0.359794 0.102E-02 0.008494 0.248E-04 36744.6694
889 -209.576045 0.155E-03 0.359863 0.102E-02 0.008496 0.248E-04 36807.2258
892 -209.576051 0.155E-03 0.359905 0.102E-02 0.008497 0.247E-04 36835.5978
893 -209.576057 0.155E-03 0.359945 0.102E-02 0.008498 0.247E-04 36846.3943
894 -209.576057 0.155E-03 0.359937 0.101E-02 0.008498 0.247E-04 36859.7748
896 -209.576054 0.154E-03 0.359929 0.101E-02 0.008497 0.246E-04 36877.2075
898 -209.576058 0.154E-03 0.359955 0.101E-02 0.008498 0.246E-04 36915.2462
902 -209.576075 0.154E-03 0.360060 0.101E-02 0.008501 0.246E-04 36953.8208
904 -209.576082 0.154E-03 0.360106 0.101E-02 0.008502 0.246E-04 36975.8220
905 -209.576086 0.154E-03 0.360130 0.101E-02 0.008502 0.245E-04 36998.2451
906 -209.576078 0.154E-03 0.360082 0.101E-02 0.008501 0.245E-04 37034.6299
911 -209.576076 0.154E-03 0.360068 0.101E-02 0.008501 0.246E-04 37046.0509
914 -209.576085 0.153E-03 0.360123 0.100E-02 0.008502 0.245E-04 37076.6360
915 -209.576090 0.153E-03 0.360144 0.100E-02 0.008504 0.245E-04 37083.4029
918 -209.576088 0.153E-03 0.360129 0.100E-02 0.008503 0.245E-04 37122.7897
920 -209.576085 0.153E-03 0.360102 0.998E-03 0.008503 0.244E-04 37144.9521
921 -209.576092 0.153E-03 0.360133 0.998E-03 0.008504 0.244E-04 37166.3975
923 -209.576088 0.152E-03 0.360106 0.996E-03 0.008504 0.244E-04 37182.7364
925 -209.576092 0.152E-03 0.360125 0.994E-03 0.008504 0.243E-04 37194.6609
926 -209.576085 0.152E-03 0.360084 0.993E-03 0.008503 0.243E-04 37212.7253
929 -209.576089 0.152E-03 0.360124 0.994E-03 0.008504 0.243E-04 37246.2236
930 -209.576084 0.152E-03 0.360093 0.994E-03 0.008503 0.243E-04 37251.4358
933 -209.576076 0.152E-03 0.360045 0.992E-03 0.008502 0.243E-04 37291.6385
935 -209.576088 0.152E-03 0.360115 0.991E-03 0.008504 0.243E-04 37312.7445
936 -209.576085 0.151E-03 0.360095 0.990E-03 0.008503 0.242E-04 37352.6654
938 -209.576080 0.151E-03 0.360062 0.988E-03 0.008502 0.242E-04 37364.0631
939 -209.576079 0.151E-03 0.360051 0.987E-03 0.008502 0.242E-04 37381.1278
943 -209.576075 0.151E-03 0.360019 0.985E-03 0.008502 0.241E-04 37416.7553
946 -209.576066 0.150E-03 0.359969 0.982E-03 0.008500 0.241E-04 37460.5270
947 -209.576070 0.150E-03 0.360005 0.982E-03 0.008501 0.240E-04 37479.6892
949 -209.576082 0.150E-03 0.360074 0.983E-03 0.008503 0.241E-04 37511.3312
951 -209.576092 0.150E-03 0.360130 0.982E-03 0.008505 0.241E-04 37532.4445
952 -209.576094 0.150E-03 0.360150 0.981E-03 0.008505 0.241E-04 37535.9260
954 -209.576096 0.150E-03 0.360150 0.980E-03 0.008505 0.241E-04 37547.0917
955 -209.576103 0.150E-03 0.360185 0.979E-03 0.008507 0.241E-04 37591.7044
959 -209.576111 0.150E-03 0.360237 0.977E-03 0.008508 0.240E-04 37629.6959
961 -209.576116 0.150E-03 0.360274 0.976E-03 0.008508 0.240E-04 37660.4202
964 -209.576122 0.149E-03 0.360318 0.974E-03 0.008509 0.239E-04 37675.8674
965 -209.576118 0.149E-03 0.360294 0.973E-03 0.008509 0.239E-04 37698.8325
966 -209.576122 0.149E-03 0.360318 0.972E-03 0.008509 0.239E-04 37716.5049
969 -209.576132 0.149E-03 0.360392 0.971E-03 0.008511 0.239E-04 37766.4635
970 -209.576128 0.149E-03 0.360369 0.970E-03 0.008510 0.238E-04 37768.9599
974 -209.576143 0.149E-03 0.360479 0.973E-03 0.008512 0.239E-04 37797.5547
979 -209.576143 0.148E-03 0.360460 0.970E-03 0.008513 0.238E-04 37845.7433
980 -209.576139 0.148E-03 0.360430 0.969E-03 0.008512 0.238E-04 37865.2627
981 -209.576137 0.148E-03 0.360417 0.968E-03 0.008512 0.238E-04 37869.9287
983 -209.576125 0.148E-03 0.360336 0.969E-03 0.008510 0.238E-04 37881.7672
986 -209.576116 0.149E-03 0.360279 0.971E-03 0.008508 0.238E-04 37938.4662
988 -209.576118 0.148E-03 0.360307 0.969E-03 0.008508 0.237E-04 37966.9922
994 -209.576112 0.148E-03 0.360271 0.967E-03 0.008508 0.237E-04 38010.8931
996 -209.576104 0.148E-03 0.360215 0.966E-03 0.008506 0.236E-04 38026.3295
997 -209.576100 0.148E-03 0.360193 0.965E-03 0.008505 0.236E-04 38031.8189
998 -209.576103 0.148E-03 0.360221 0.964E-03 0.008506 0.236E-04 38050.3076
1004 -209.576112 0.147E-03 0.360276 0.962E-03 0.008507 0.236E-04 38106.7809
1008 -209.576125 0.147E-03 0.360364 0.964E-03 0.008509 0.236E-04 38135.7790
1015 -209.576105 0.147E-03 0.360240 0.961E-03 0.008506 0.235E-04 38175.8137
1016 -209.576108 0.147E-03 0.360266 0.960E-03 0.008506 0.235E-04 38182.4559
1018 -209.576102 0.147E-03 0.360224 0.961E-03 0.008505 0.235E-04 38199.5933
1019 -209.576101 0.147E-03 0.360226 0.960E-03 0.008505 0.235E-04 38202.3460
1021 -209.576105 0.147E-03 0.360248 0.959E-03 0.008506 0.235E-04 38217.0423
1023 -209.576101 0.146E-03 0.360216 0.957E-03 0.008505 0.234E-04 38265.7406
1025 -209.576105 0.146E-03 0.360237 0.956E-03 0.008506 0.234E-04 38272.5086
1029 -209.576102 0.146E-03 0.360215 0.954E-03 0.008506 0.234E-04 38303.5929
1033 -209.576099 0.145E-03 0.360189 0.951E-03 0.008505 0.233E-04 38344.4805
1034 -209.576094 0.145E-03 0.360150 0.951E-03 0.008504 0.233E-04 38348.4888
1035 -209.576094 0.145E-03 0.360154 0.950E-03 0.008504 0.232E-04 38361.1060
1036 -209.576098 0.145E-03 0.360192 0.949E-03 0.008505 0.232E-04 38368.5311
1039 -209.576098 0.145E-03 0.360187 0.947E-03 0.008505 0.232E-04 38390.6781
1043 -209.576095 0.144E-03 0.360156 0.944E-03 0.008505 0.231E-04 38431.5607
1044 -209.576097 0.144E-03 0.360177 0.944E-03 0.008505 0.231E-04 38435.5263
1047 -209.576090 0.144E-03 0.360130 0.942E-03 0.008504 0.231E-04 38469.8762
1052 -209.576102 0.144E-03 0.360205 0.940E-03 0.008506 0.230E-04 38521.0906
1054 -209.576105 0.144E-03 0.360224 0.939E-03 0.008506 0.230E-04 38534.0099
1057 -209.576110 0.143E-03 0.360272 0.937E-03 0.008506 0.229E-04 38556.1362
1062 -209.576123 0.143E-03 0.360362 0.933E-03 0.008508 0.228E-04 38597.0397
1063 -209.576123 0.143E-03 0.360368 0.932E-03 0.008509 0.228E-04 38602.0020
1067 -209.576138 0.143E-03 0.360476 0.931E-03 0.008510 0.228E-04 38639.2674
1070 -209.576137 0.142E-03 0.360476 0.931E-03 0.008510 0.228E-04 38688.3672
1072 -209.576133 0.142E-03 0.360449 0.931E-03 0.008510 0.228E-04 38702.0916
1074 -209.576150 0.143E-03 0.360558 0.932E-03 0.008512 0.228E-04 38723.8592
1078 -209.576160 0.143E-03 0.360629 0.932E-03 0.008514 0.228E-04 38769.5099
1080 -209.576153 0.142E-03 0.360591 0.931E-03 0.008513 0.228E-04 38807.6175
1089 -209.576144 0.142E-03 0.360529 0.925E-03 0.008511 0.226E-04 38883.1657
1091 -209.576142 0.141E-03 0.360512 0.924E-03 0.008511 0.226E-04 38890.4131
1096 -209.576122 0.141E-03 0.360383 0.923E-03 0.008508 0.226E-04 38938.7100
1103 -209.576135 0.141E-03 0.360484 0.921E-03 0.008509 0.225E-04 38975.8147
1107 -209.576141 0.141E-03 0.360524 0.920E-03 0.008510 0.225E-04 39030.6789
1108 -209.576144 0.140E-03 0.360544 0.920E-03 0.008511 0.224E-04 39035.5866
1110 -209.576146 0.140E-03 0.360568 0.918E-03 0.008511 0.224E-04 39060.8741
1118 -209.576160 0.139E-03 0.360666 0.913E-03 0.008513 0.223E-04 39108.2001
1122 -209.576165 0.140E-03 0.360683 0.913E-03 0.008514 0.223E-04 39145.2342
1126 -209.576166 0.139E-03 0.360678 0.911E-03 0.008515 0.223E-04 39188.8658
1127 -209.576158 0.139E-03 0.360625 0.912E-03 0.008513 0.223E-04 39201.4217
1128 -209.576151 0.139E-03 0.360579 0.912E-03 0.008512 0.223E-04 39229.7838
1133 -209.576147 0.139E-03 0.360553 0.911E-03 0.008512 0.222E-04 39267.8147
1134 -209.576145 0.139E-03 0.360538 0.910E-03 0.008511 0.222E-04 39275.8189
1141 -209.576138 0.139E-03 0.360505 0.908E-03 0.008510 0.222E-04 39313.3355
1145 -209.576135 0.138E-03 0.360493 0.906E-03 0.008509 0.221E-04 39364.0624
1147 -209.576130 0.138E-03 0.360457 0.905E-03 0.008509 0.221E-04 39367.6363
1149 -209.576131 0.138E-03 0.360456 0.904E-03 0.008509 0.221E-04 39394.6729
1153 -209.576141 0.138E-03 0.360508 0.903E-03 0.008511 0.221E-04 39431.8752
1155 -209.576135 0.138E-03 0.360459 0.902E-03 0.008510 0.221E-04 39443.0274