srDFT_G2/Data/data_srDFT/data_VDZ/data_NO_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 -0.1767536695 -0.1727310333
0.000001 0.000001 -0.1768045380 -0.1730661604
0.000001 0.00001 -0.1768341949 -0.1735056226
0.000001 0.0001 -0.1769501470 -0.1751119915
0.000001 0.001 -0.1782477750 -0.1836576328