srDFT_G2/Data/data_srDFT/data_VDZ/data_LiH_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 -0.0424103601 -0.0351174807
0.000001 0.000001 -0.0423904550 -0.0351193002
0.000001 0.00001 -0.0420098815 -0.0351103311
0.000001 0.0001 -0.0418954828 -0.0352166523
0.000001 0.001 -0.0415916061 -0.0357550392