srDFT_G2/Data/data_srDFT/data_VDZ/data_Cl_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 -0.3242899900 -0.3700048905
0.000001 0.000001 -0.3242914197 -0.3700313910
0.000001 0.00001 -0.3243119911 -0.3702386286
0.000001 0.0001 -0.3243391541 -0.3704750576
0.000001 0.001 -0.3243369577 -0.3733206415