srDFT_G2/Data/data_srDFT/data_VDZ/data_S_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 -0.3019660895 -0.3412674865
0.000001 0.000001 -0.3019682930 -0.3412892008
0.000001 0.00001 -0.3020083195 -0.3414486400
0.000001 0.0001 -0.3019858272 -0.3415954146
0.000001 0.001 -0.3021607885 -0.3446032912