srDFT_G2/Data/data_srDFT/data_VDZ/data_CH3Cl_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 -0.4059048743 -0.4469295126
0.000001 0.000001 -0.4059820319 -0.4475447425
0.000001 0.00001 -0.4060218693 -0.4482952879
0.000001 0.0001 -0.4064500632 -0.4507808451
0.000001 0.001 -0.4073603984 -0.4585422987