srDFT_G2/Data/data_srDFT/data_VDZ/data_PH2_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 -0.2927726336 -0.3270101673
0.000001 0.000001 -0.2927938827 -0.3271015616
0.000001 0.00001 -0.2928542714 -0.3273787945
0.000001 0.0001 -0.2930261551 -0.3281760704
0.000001 0.001 -0.2937554972 -0.3322515964