srDFT_G2/Data/data_srDFT/data_VTZ/data_PH3_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 -0.2481977480 -0.2908881564
0.000001 0.000001 -0.2482748641 -0.2910963077