srDFT_G2/Data/data_srDFT/data_VDZ/data_CH3_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 -0.0753493233 -0.0684833836
0.000001 0.000001 -0.0753787450 -0.0685980412
0.000001 0.00001 -0.0754157974 -0.0688501813
0.000001 0.0001 -0.0757025776 -0.0699863364
0.000001 0.001 -0.0766270525 -0.0743405373