srDFT_G2/Data/data_srDFT/data_VDZ/data_NaCl_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 -0.5826821446 -0.6445062671
0.000001 0.000001 -0.5826370988 -0.6445571996
0.000001 0.00001 -0.5823549305 -0.6448355757
0.000001 0.0001 -0.5821801759 -0.6450545493
0.000001 0.001 -0.5820712576 -0.6478445272