srDFT_Ex/Data/data_formaldehyde/AVDZ/data_AVDZ_Fl
2018-12-14 00:17:10 +01:00

4 lines
188 B
Plaintext

# state LDA_HF LDA_PSI PBE_HF PBE_PSI
1 -0.1653931736 -0.1635186501 -0.1596029474 -0.1578735470
2 -0.1646550689 -0.1635600639 -0.1579530112 -0.1569116160