srDFT_G2/Data/data_srDFT/data_VDZ/data_F_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 -0.1112863483 -0.1133256024
0.000001 0.000001 -0.1112920339 -0.1133749112
0.000001 0.00001 -0.1112942415 -0.1134210311
0.000001 0.0001 -0.1113051261 -0.1139523029
0.000001 0.001 -0.1113969601 -0.1172595220