srDFT_SC/new/N2_avtz/data/data_DFT_avtzE_relat
2019-10-01 19:13:31 +02:00

12 lines
676 B
Plaintext

1.6 -0.00971602 -0.0310295479 -0.0320581163 -0.0269
1.75 -0.21764444 -0.2357945022 -0.2371189422 -0.2418
1.9 -0.31520495 -0.3308011592 -0.3323386178 -0.3362
2.075 -0.3477605 -0.3609963192 -0.3626951609 -0.3642
2.25 -0.33267922 -0.3440615665 -0.3458475404 -0.3458
2.75 -0.20699027 -0.2146391491 -0.2163830184 -0.2177
3.5 -0.05889237 -0.0618237045 -0.0628046243 -0.0759
4.0 -0.02085613 -0.021938825 -0.0223747618 -0.0353
5.0 -0.00350797999999 -0.00352141259999 -0.0036202242 -0.00830000000001
7.0 -0.000774849999999 -0.000756569900002 -0.000760245000002 -0.000600000000006
10.0 0.0 3.20923843056e-15 -6.95971058562e-15 0.0