srDFT_G2/Data/data_srDFT/data_VTZ/data_BeH_cc-pVTZ
2018-12-19 11:48:30 +01:00

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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.0334913720 -0.0314044883
0.000001 0.000001 -0.0334110432 -0.0314141945