srDFT_Ex/Data/data_formaldehyde/data_AVDZ_Si_0.000001
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 -0.1669033743 -0.1649264791 -0.1632325418 -0.1613998861
2 -0.1657822419 -0.1649223630 -0.1614147671 -0.1605198023
3 -0.1663894757 -0.1604648968 -0.1578332221 -0.1549086262
4 -0.1647592738 -0.1600285751 -0.1571076213 -0.1547259914
5 -0.1679155625 -0.1611513607 -0.1584630599 -0.1548742803
6 -0.1668981186 -0.1608133989 -0.1579880754 -0.1549615787
7 -0.1652147775 -0.1646671575 -0.1608365401 -0.1602567520
8 -0.1656258694 -0.1642746737 -0.1633582454 -0.1621024032