srDFT_G2/Data/data_srDFT/data_VDZ/data_ClF_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 -0.4430537468 -0.4933241062
0.000001 0.000001 -0.4430748341 -0.4937243397
0.000001 0.00001 -0.4430517456 -0.4942250949
0.000001 0.0001 -0.4429287841 -0.4955685064
0.000001 0.001 -0.4438361248 -0.5038189349