srDFT_G2/Data/data_srDFT/data_VDZ/data_CH_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 -0.0654698180 -0.0580238276
0.000001 0.000001 -0.0654759786 -0.0580454938
0.000001 0.00001 -0.0655154415 -0.0581718929
0.000001 0.0001 -0.0656179152 -0.0586087322
0.000001 0.001 -0.0663789909 -0.0614750238