srDFT_G2/Data/data_srDFT/data_VDZ/data_H2S_cc-pVDZ_HF_LDA
2018-12-19 11:48:30 +01:00

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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000001 0.0000001 -0.3142034719
0.000001 0.000001 -0.3142035074
0.00001 0.00001 -0.3142091006
0.0001 0.0001 -0.3142251045
0.001 0.001 -0.3143292107