srDFT_G2/Data/data_srDFT/data_VTZ/data_HOCl_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 -0.3328816296 -0.3979654546
0.000001 0.000001 -0.3328828019 -0.3979690974