srDFT_SC/new/N2_avdz/data/data_DFT_avdzE_relat
2019-10-17 18:30:43 +02:00

12 lines
836 B
Plaintext

1.6 0.07317514 0.0211124404 0.0241907804 0.0252222834 -0.0269
1.75 -0.16194179 -0.2074444151 -0.2052860101 -0.2042727472 -0.2418
1.9 -0.2768321 -0.3166414123 -0.3152795751 -0.3142851282 -0.3362
2.075 -0.32138792 -0.3556263672 -0.3550221282 -0.3540543883 -0.3642
2.25 -0.31303034 -0.3426946553 -0.3426708795 -0.3417385781 -0.3458
2.75 -0.19470967 -0.2148060809 -0.2156651334 -0.2149067245 -0.2177
3.5 -0.05223212 -0.0602373989 -0.0610520819 -0.0607424994 -0.0759
4.0 -0.01759574 -0.0202940481 -0.0208109735 -0.0206894802 -0.0353
5.0 -0.00379454 -0.0041031759 -0.0042120712 -0.0042189549 -0.00830000000001
7.0 -0.000632840000009 -0.000579276100009 -0.00059448040001 -0.000590842800013 -0.000600000000006
10.0 0.0 3.51108031538e-15 1.08940634291e-15 -4.67681449123e-15 0.0