srDFT_SC/new/O2_avdz/data/data_DFT_avdzE_relat
Emmanuel Giner 65b006018e converged
2019-11-22 20:00:08 +01:00

11 lines
771 B
Plaintext

1.95 -0.09044485 -0.1120286938 -0.1108721311 -0.1101441329 -0.1245
2.1 -0.14845539 -0.1662794357 -0.1655981606 -0.1648866683 -0.1754
2.2816 -0.17071043 -0.1849904547 -0.1847291117 -0.1840400187 -0.1915
2.4 -0.16862637 -0.1810572773 -0.1809985108 -0.1803256844 -0.1869
2.6 -0.15078738 -0.1606929536 -0.1608820113 -0.1602395461 -0.1659
3.0 -0.09830603 -0.1046034621 -0.1050537858 -0.1044901062 -0.11
4.0 -0.01138864 -0.0121845068 -0.0124190024 -0.0123010172 -0.0262
5.0 -0.00175818999998 -0.00175645099998 -0.00175633489998 -0.00175673239997 -0.006
7.0 -3.4799999753e-06 3.13954000156e-05 9.44776000342e-05 8.45842000344e-05 -0.000400000000013
10.0 0.0 8.04911692853e-16 -9.53404022397e-15 -4.34374758385e-15 0.0