srDFT_G2/Data/data_srDFT/data_VDZ/data_Na2_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 -0.4993937175 -0.5286063798
0.000001 0.000001 -0.4988470622 -0.5284788155
0.000001 0.00001 -0.4951213913 -0.5280099896
0.000001 0.0001 -0.4950785368 -0.5281021087
0.000001 0.001 -0.4951366028 -0.5284649028