srDFT_G2/Data/data_srDFT/data_VDZ/data_HCN_cc-pVDZ

7 lines
294 B
Plaintext
Raw Normal View History

2018-12-19 11:48:30 +01:00
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.1528406985 -0.1447106466
0.000001 0.000001 -0.1529021463 -0.1450186832
0.000001 0.00001 -0.1529656717 -0.1455202522
0.000001 0.0001 -0.1533199485 -0.1473375559
0.000001 0.001 -0.1546157272 -0.1547061551