srDFT_G2/Data/data_srDFT/data_VDZ/data_Si2_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 -0.5482338635 -0.6090747578
0.000001 0.000001 -0.5482908413 -0.6092572168
0.000001 0.00001 -0.5484940510 -0.6098674092
0.000001 0.0001 -0.5487782762 -0.6109627548
0.000001 0.001 -0.5497124101 -0.6159712465