srDFT_G2/Data/data_sr_dft_new/data_VDZ/data_Si2H6_cc-pVDZ_HF_LDA

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2018-12-19 12:47:52 +01:00
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000001 0.0000001 -0.5726120576
0.000001 0.000001 -0.5726205613
0.00001 0.00001 -0.5726510762
0.0001 0.0001 -0.5727184616
0.001 0.001 -0.5728237520