srDFT_G2/Data/data_srDFT/data_VDZ/data_H2O_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 -0.1070316967 -0.1057273547
0.000001 0.000001 -0.1070463292 -0.1058240301
0.000001 0.00001 -0.1070624961 -0.1060374802
0.000001 0.0001 -0.1072856939 -0.1072987342
0.000001 0.001 -0.1076859978 -0.1115490789