srDFT_G2/Data/data_srDFT/data_VDZ/data_Li2_cc-pVDZ

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2018-12-19 11:48:30 +01:00
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.0764777818 -0.0643766086
0.000001 0.000001 -0.0762310999 -0.0643441835
0.000001 0.00001 -0.0758287542 -0.0643291197
0.000001 0.0001 -0.0743824635 -0.0648304521
0.000001 0.001 -0.0743824635 -0.0648304521