srDFT_G2/Data/data_srDFT/data_VDZ/data_ClO_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 -0.4238968035 -0.4698345474
0.000001 0.000001 -0.4239345144 -0.4702691798
0.000001 0.00001 -0.4239126167 -0.4707551176
0.000001 0.0001 -0.4237981082 -0.4716862569
0.000001 0.001 -0.4247778546 -0.4808517618