srDFT_G2/Data/data_srDFT/data_VDZ/data_SiO_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 -0.3754899526 -0.4057097128
0.000001 0.000001 -0.3755371997 -0.4059819292
0.000001 0.00001 -0.3756037672 -0.4064286181
0.000001 0.0001 -0.3758188909 -0.4080166518
0.000001 0.001 -0.3766700056 -0.4140062225