srDFT_G2/Data/data_srDFT/data_VDZ/data_P2_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 -0.5827698689 -0.6544705857
0.000001 0.000001 -0.5828287082 -0.6547951288
0.000001 0.00001 -0.5829751961 -0.6556158031
0.000001 0.0001 -0.5831314705 -0.6568311534
0.000001 0.001 -0.5842822170 -0.6640706394