srDFT_G2/Data/data_srDFT/data_VDZ/data_PH3_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 -0.2973052698 -0.3313829884
0.000001 0.000001 -0.2973411577 -0.3315503628
0.000001 0.00001 -0.2974061715 -0.3319314679
0.000001 0.0001 -0.2976136819 -0.3329797584
0.000001 0.001 -0.2987589921 -0.3388732230