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

10 lines
560 B
Plaintext

# state LDA_HF LDA_PSI PBE_HF PBE_PSI
1 -0.1668849997 -0.1649302673 -0.1630844957 -0.1612760685
2 -0.1657815746 -0.1649642038 -0.1613255174 -0.1604752345
3 -0.1664009214 -0.1606385366 -0.1577345413 -0.1548621377
4 -0.1647712274 -0.1601156683 -0.1570076462 -0.1546711779
5 -0.1679309928 -0.1612479881 -0.1583527655 -0.1548085431
6 -0.1669150110 -0.1610923611 -0.1577673401 -0.1547626136
7 -0.1652158395 -0.1647179783 -0.1607978397 -0.1602715230
8 -0.1656152394 -0.1642909093 -0.1632280803 -0.1620115907