srDFT_G2/Data/data_srDFT/data_VDZ/data_CS_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 -0.3735377485 -0.4095684453
0.000001 0.000001 -0.3735904237 -0.4098681618
0.000001 0.00001 -0.3736783187 -0.4105734131
0.000001 0.0001 -0.3737976564 -0.4118263489
0.000001 0.001 -0.3748082961 -0.4183624251