srDFT_G2/Data/data_srDFT/data_VTZ/data_C2H6_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 -0.0858856653 -0.0852908847
0.000001 0.000001 -0.0860614958 -0.0859077264