srDFT_G2/Data/data_srDFT/data_VDZ/data_NH_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 -0.0781187717 -0.0719179777
0.000001 0.000001 -0.0781305395 -0.0719621249
0.000001 0.00001 -0.0781592540 -0.0720997804
0.000001 0.0001 -0.0782631587 -0.0725724711
0.000001 0.001 -0.0789251677 -0.0763984187