srDFT_G2/Data/data_srDFT/data_VDZ/data_Na_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 -0.2543341464 -0.2653751542
0.000001 0.000001 -0.2531037166 -0.2648637697
0.000001 0.00001 -0.2513965142 -0.2644514253
0.000001 0.0001
0.000001 0.001