srDFT_G2/Data/data_srDFT/data_VTZ/data_H3CSH_cc-pVTZ

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2018-12-19 11:48:30 +01:00
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.3060035968 -0.3632382936
0.000001 0.000001 -0.3060035799 -0.3632382992