psi4-data 1:0.3-5 / usr / share / psi / grids / D95ss_extreme.grid

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/usr/share/psi/grids/D95ss_extreme.grid is in psi4-data 1:0.3-5.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below. 

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!Pseudospectral extreme grid for D95**
****
H 0
  3 0.03692
  3 0.18462
  3 0.36924
  9 0.74267
 11 1.22944
 11 1.85485
  9 2.64536
  3 3.51697
  3 4.49608
  3 5.62010
****
Li 0
  3 0.07009
  3 0.17524
  3 0.52571
  5 0.87618
  9 1.48859
 11 2.13573
 17 3.09631
 17 4.46158
 11 5.99903
  9 7.59124
  5 10.03418
  3 12.54273
  3 15.67841
  3 19.59802
****
Be 0
  3 0.03226
  3 0.09678
  3 0.38713
  5 0.64522
  9 1.09621
 11 1.57276
 17 2.28014
 17 3.28553
 11 4.41772
  9 5.59022
  5 7.38922
  3 8.86706
  3 11.45329
  3 14.77844
****
C 0
  3 0.04538
  3 0.11345
  3 0.34034
  5 0.56724
  9 0.96372
  9 1.38268
 23 2.00456
 23 2.88844
  9 3.88380
  9 4.91460
  5 6.49617
  3 8.12021
  3 10.15027
  3 12.68783
****
N 0
  3 0.03978
  3 0.09946
  3 0.29837
  5 0.49729
  9 0.84487
 11 1.21217
 17 1.75736
 17 2.53223
 11 3.40484
  9 4.30852
  5 5.69505
  3 7.11881
  3 8.89852
  3 11.12315
****
O 0
  3 0.04061
  3 0.10152
  3 0.30455
  5 0.50758
  9 0.86235
 11 1.23725
 17 1.79372
 17 2.58462
 11 3.47529
  9 4.39766
  5 5.81288
  3 7.26610
  3 9.08262
  3 11.35328
****
F 0
  3 0.03891
  3 0.09726
  3 0.29179
  5 0.48631
  9 0.82623
 11 1.18541
 17 1.71857
 17 2.47635
 11 3.32970
  9 4.21344
  5 5.56937
  3 6.96171
  3 8.70214
  3 10.87767
****
Na 0
  3 0.08289
  3 0.20723
  3 0.62168
  5 1.03614
  9 1.76036
 11 2.52565
 17 3.66160
 17 5.27612
 11 7.09427
  9 8.97716
  5 11.86611
  3 14.83263
  3 18.54079
  3 23.17599
****
Si 0
  3 0.02419
  3 0.08063
  3 0.24188
  5 0.48377
  9 0.80628
 11 1.41106
 17 2.17724
 17 3.20076
 11 4.29447
  9 5.33243
  5 6.57958
  3 8.51960
  3 10.64951
  3 13.31188
****
P 0
  3 0.02508
  3 0.08360
  3 0.25081
  5 0.50163
  9 0.83605
 11 1.46315
 17 2.25762
 17 3.31891
 11 4.45301
  9 5.52927
  5 6.82247
  3 8.83411
  3 11.04264
  3 13.80329
****
S 0
  3 0.02549
  3 0.08496
  3 0.25487
  5 0.50975
  9 0.84958
 11 1.48683
 17 2.29416
 17 3.37264
 11 4.52509
  9 5.61878
  5 6.93291
  3 8.97711
  3 11.22138
  3 14.02673
****
Cl 0
  3 0.02242
  3 0.07473
  3 0.22420
  5 0.44840
  9 0.74733
 11 1.30789
 17 2.01805
 17 2.96673
 11 3.98047
  9 4.94253
  5 6.09850
  3 7.89668
  3 9.87084
  3 12.33856
****

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