srDFT_G2/Data/data_srDFT/data_VDZ/data_HCl_cc-pVDZ
2018-12-19 11:48:30 +01:00

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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.3303066697 -0.3767081474
0.000001 0.000001 -0.3303141425 -0.3767823834
0.000001 0.00001 -0.3303276723 -0.3770266486
0.000001 0.0001 -0.3304809353 -0.3779963870
0.000001 0.001 -0.3304026153 -0.3804864823