srDFT_G2/Data/data_srDFT/data_VDZ/data_O2_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 -0.1910250446 -0.1887749677
0.000001 0.000001 -0.1910718605 -0.1891537930
0.000001 0.00001 -0.1911042949 -0.1896413793
0.000001 0.0001 -0.1911278808 -0.1911389579
0.000001 0.001 -0.1923205142 -0.2003561161