srDFT_G2/Data/data_srDFT/data_VDZ/data_HCO_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 -0.1670192933 -0.1613538259
0.000001 0.000001 -0.1670714480 -0.1616861768
0.000001 0.00001 -0.1670839864 -0.1621026277
0.000001 0.0001 -0.1673954823 -0.1640706655
0.000001 0.001 -0.1686590419 -0.1718753409