srDFT_SC/new/N2_avdz/data/data_DFT_avdzE_relat
2019-11-20 15:52:45 +01:00

12 lines
841 B
Plaintext

1.6 0.07317514 0.020995392 0.0241695647 0.0251417437 -0.0269
1.75 -0.16194179 -0.2075715425 -0.2053130882 -0.2043613748 -0.2418
1.9 -0.2768321 -0.3167659247 -0.315301223 -0.3143710016 -0.3362
2.075 -0.32138792 -0.3557444754 -0.3550356969 -0.3541346673 -0.3642
2.25 -0.31303034 -0.3428139871 -0.3426860032 -0.3418211268 -0.3458
2.75 -0.19470967 -0.2150771701 -0.2158523023 -0.2151453317 -0.2177
3.5 -0.05223212 -0.0608867794 -0.0617039882 -0.0614014025 -0.0759
4.0 -0.01759574 -0.02059915 -0.0211238133 -0.0210069359 -0.0353
5.0 -0.00379454 -0.00406294810001 -0.0042447211 -0.00421934500001 -0.00830000000001
7.0 -0.000632840000009 -0.000599373000006 -0.000614735400011 -0.000611390400008 -0.000600000000006
10.0 0.0 -5.58580959265e-15 -4.53109771925e-15 2.4841240176e-15 0.0