srDFT_G2/Data/data_srDFT/data_VDZ/data_LiF_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 -0.1596961369 -0.1563723345
0.000001 0.000001 -0.1595936084 -0.1564333239
0.000001 0.00001 -0.1591998012 -0.1565674975
0.000001 0.0001 -0.1591540144 -0.1570222250
0.000001 0.001 -0.1592093840 -0.1611006171