srDFT_SC/Data/H10/data_H10_vtz_cas1010

13 lines
833 B
Plaintext
Raw Normal View History

2019-06-03 12:44:05 +02:00
# ExFCI LDA PBE PBEot PBEot/n
1.0 -4.39540937 -0.0171793464 -0.0154697621 -0.0190033127 -0.0187006360
1.2 -5.13041555 -0.0145007772 -0.0127719801 -0.0161988159 -0.0159586157
1.4 -5.47669741 -0.0122858495 -0.0106257072 -0.0137711050 -0.0135632978
1.6 -5.61904085 -0.0107813783 -0.0091867326 -0.0120650257 -0.0118647928
1.8 -5.65246065 -0.0097392389 -0.0081892385 -0.0107989970 -0.0105934344
2.0 -5.62809801 -0.0089323574 -0.0074161619 -0.0097413071 -0.0095255836
2.4 -5.50628511 -0.0079140196 -0.0063990173 -0.0081304592 -0.0078785712
2.8 -5.36267549 -0.0074377193 -0.0058499889 -0.0068644975 -0.0065692668
3.2 -5.23810210 -0.0071417119 -0.0054782526 -0.0055919869 -0.0052682987
3.6 -5.14501489 -0.0069090490 -0.0051999845 -0.0043225085 -0.0039934122