srDFT_G2/Data/data_srDFT/data_VDZ/data_Li_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 -0.0439050762 -0.0333343802
0.000001 0.000001 -0.0439050762 -0.0333343802
0.000001 0.00001 -0.0411029804 -0.0325575121
0.000001 0.0001
0.000001 0.001