srDFT_G2/Data/data_srDFT/data_VDZ/data_CO_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 -0.1637541342 -0.1588258594
0.000001 0.000001 -0.1637984822 -0.1590744999
0.000001 0.00001 -0.1638349885 -0.1594597165
0.000001 0.0001 -0.1641592273 -0.1613065490
0.000001 0.001 -0.1651644052 -0.1678923357