srDFT_G2/Data/data_srDFT/data_VDZ/data_Cl2_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 -0.6565264824 -0.7505685991
0.000001 0.000001 -0.6565583816 -0.7511519721
0.000001 0.00001 -0.6565111087 -0.7517032378
0.000001 0.0001 -0.6562772636 -0.7519324432
0.000001 0.001 -0.6569634595 -0.7612316279