srDFT_G2/Data/data_sr_dft_new/data_VTZ/data_Si2H6_cc-pVTZ

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2018-12-19 12:49:56 +01:00
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.4717964852 -0.5479629975
0.000001 0.000001 -0.4719835257 -0.5486217977