srDFT_G2/Data/data_srDFT/data_VDZ/data_HF_cc-pVDZ

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2018-12-19 11:48:30 +01:00
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.1202792286 -0.1235665059
0.000001 0.000001 -0.1202848250 -0.1236234089
0.000001 0.00001 -0.1202726302 -0.1237126770
0.000001 0.0001 -0.1203892443 -0.1246966718
0.000001 0.001 -0.1205935036 -0.1291487363