srDFT_G2/Data/data_srDFT/data_VDZ/data_N_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 -0.0685842413 -0.0612287295
0.000001 0.000001 -0.0685872831 -0.0612439930
0.000001 0.00001 -0.0686156950 -0.0612944341
0.000001 0.0001 -0.0686255521 -0.0613687622
0.000001 0.001 -0.0688310587 -0.0634727580