srDFT_G2/Data/data_srDFT/data_VDZ/data_Si_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 -0.2697846890 -0.3000333754
0.000001 0.000001 -0.2697861941 -0.3000363480
0.000001 0.00001 -0.2698105510 -0.3000736475
0.000001 0.0001 -0.2698964429 -0.3002194877
0.000001 0.001 -0.2700488505 -0.3010100081