srDFT_G2/Data/data_srDFT/data_VDZ/data_F2_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 -0.2286541301 -0.2345770764
0.000001 0.000001 -0.2286800810 -0.2348909623
0.000001 0.00001 -0.2286847065 -0.2352673644
0.000001 0.0001 -0.2288204845 -0.2379194208
0.000001 0.001 -0.2294085016 -0.2451682580