srDFT_G2/Data/data_srDFT/data_VDZ/data_Si2H6_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 -0.5697158894 -0.6299039345
0.000001 0.000001 -0.5699596656 -0.6308559377
0.000001 0.00001 -0.5701112133 -0.6318182231
0.000001 0.0001 -0.5707020534 -0.6345924728
0.000001 0.001 -0.5727896996 -0.6457319883