srDFT_G2/Data/data_srDFT/data_VDZ/data_Be_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 -0.0409687694 -0.0350720971
0.000001 0.000001 -0.0409631634 -0.0350713102
0.000001 0.00001 -0.0410211952 -0.0351380619
0.000001 0.0001 -0.0410933938 -0.0353464205
0.000001 0.001 -0.0410933938 -0.0353464205