srDFT_G2/Data/data_srDFT/data_VDZ/data_N2_cc-pVDZ
2018-12-19 11:48:30 +01:00

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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.1628105074 -0.1571524925
0.000001 0.000001 -0.1628711568 -0.1574548524
0.000001 0.00001 -0.1629304443 -0.1579155893
0.000001 0.0001 -0.1632634652 -0.1597441810
0.000001 0.001 -0.1647041605 -0.1680549024