srDFT_G2/Data/data_srDFT/data_VDZ/data_H3CSH_cc-pVDZ
2018-12-19 11:48:30 +01:00

7 lines
294 B
Plaintext

# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.3894888456 -0.4246359617
0.000001 0.000001 -0.3895625780 -0.4252177038
0.000001 0.00001 -0.3895854080 -0.4260088190
0.000001 0.0001 -0.3902666711 -0.4292157732
0.000001 0.001 -0.3914115858 -0.4387831933