srDFT_G2/Data/data_srDFT/data_VDZ/data_OH_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 -0.0991676528 -0.0969123250
0.000001 0.000001 -0.0991764117 -0.0969706066
0.000001 0.00001 -0.0991978615 -0.0971185054
0.000001 0.0001 -0.0992968646 -0.0977162358
0.000001 0.001 -0.0997986736 -0.1023166910