srDFT_G2/Data/data_srDFT/data_VDZ/data_CN_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 -0.1464011530 -0.1370019245
0.000001 0.000001 -0.1464539996 -0.1372344011
0.000001 0.00001 -0.1465381870 -0.1377153475
0.000001 0.0001 -0.1469487943 -0.1396574549
0.000001 0.001 -0.1481587539 -0.1463922473