srDFT_SC/new/F2_vtz/data/data_DFT_vtzE_relat
2019-12-19 19:51:50 +01:00

14 lines
991 B
Plaintext

1.14 0.02746 0.021318184 0.0210758324 0.0211782758 0.01806
1.2 -0.01216 -0.0173845673 -0.0176738815 -0.0175772932 -0.02036
1.3 -0.04618 -0.0501525208 -0.0504947249 -0.0504090035 -0.05323
1.36 -0.0542 -0.0575570602 -0.0579177983 -0.0578389957 -0.06062
1.41193 -0.05633 -0.0592216827 -0.0595927778 -0.0595201311 -0.06235
1.5 -0.05354 -0.0557673763 -0.0561430955 -0.0560807453 -0.05927
1.6 -0.04531 -0.0469406081 -0.0473067615 -0.0472554733 -0.05071
1.8 -0.02681 -0.027627273 -0.0279414744 -0.0279084503 -0.0303
2.0 -0.0135 -0.0138604844 -0.0141023775 -0.0140818965 -0.01559
2.2 -0.00624999999999 -0.0063769162 -0.00654887389998 -0.0065362502 -0.00739000000002
2.4 -0.00275999999999 -0.00277877880001 -0.002894811 -0.00288666499999 -0.00353000000001
2.8 -0.000410000000016 -0.000346100800015 -0.000402455900026 -0.000398220100024 -0.000640000000004
8.0 0.0 6.80011602583e-16 3.76088049592e-15 -1.38222766566e-14 0.0