srDFT_G2/Data/data_srDFT/data_VDZ/data_HOCl_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 -0.4305867808 -0.4766339029
0.000001 0.000001 -0.4306157976 -0.4771045297
0.000001 0.00001 -0.4305753389 -0.4776196846
0.000001 0.0001 -0.4306330787 -0.4794357481
0.000001 0.001 -0.4314764728 -0.4884227096