srDFT_G2/Data/data_srDFT/data_VDZ/data_SO2_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 -0.5072833360 -0.5504126295
0.000001 0.000001 -0.5073522405 -0.5513446531
0.000001 0.00001 -0.5072612774 -0.5521483856
0.000001 0.0001 -0.5077279424 -0.5571260918
0.000001 0.001 -0.5088342544 -0.5679250768