srDFT_Ex/Data/data_formaldehyde/data_AVDZ_ST_0.000001
Emmanuel Giner 633d185990 added data
2018-12-05 18:14:12 +01:00

4 lines
188 B
Plaintext

# state LDA_HF LDA_PSI PBE_HF PBE_PSI
1 -0.1666529417 -0.1647191821 -0.1622631540 -0.1605206789
2 -0.1654554529 -0.1643112936 -0.1595681204 -0.1584213348