srDFT_G2/Data/data_srDFT/data_VDZ/data_C2H6_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 -0.1564455293 -0.1445922367
0.000001 0.000001 -0.1565879177 -0.1453560648
0.000001 0.00001 -0.1566871729 -0.1461774313
0.000001 0.0001 -0.1578551474 -0.1506624453
0.000001 0.001 -0.1591342765 -0.1602156111