srDFT_G2/Data/data_srDFT/data_VDZ/data_BeH_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 -0.0445078345 -0.0384544665
0.000001 0.000001 -0.0445194187 -0.0384582955
0.000001 0.00001 -0.0444175303 -0.0385034324
0.000001 0.0001 -0.0445231652 -0.0387956070
0.000001 0.001 -0.0447154599 -0.0393530479