srDFT_G2/Data/data_srDFT/data_VDZ/data_SiH4_cc-pVDZ

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2018-12-19 11:48:30 +01:00
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.2861286507 -0.3149046100
0.000001 0.000001 -0.2861788871 -0.3150770060
0.000001 0.00001 -0.2862811514 -0.3154884750
0.000001 0.0001 -0.2865398956 -0.3167181811
0.000001 0.001 -0.2880829825 -0.3230612635