srDFT_G2/Data/data_srDFT/data_VDZ/data_S2_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 -0.6155242198 -0.6979584116
0.000001 0.000001 -0.6155656141 -0.6984206804
0.000001 0.00001 -0.6156128891 -0.6992219504
0.000001 0.0001 -0.6155268809 -0.6997490485
0.000001 0.001 -0.6162814826 -0.7080962173