srDFT_G2/Data/data_srDFT/data_VDZ/data_O_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 -0.0898914628 -0.0864189964
0.000001 0.000001 -0.0898992950 -0.0864587718
0.000001 0.00001 -0.0898993363 -0.0865181472
0.000001 0.0001 -0.0899321312 -0.0866508484
0.000001 0.001 -0.0901009876 -0.0897948404