srDFT_G2/Data/data_sr_dft_new/data_VDZ/data_C2H4_cc-pVDZ_HF_LDA
2018-12-19 12:47:52 +01:00

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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000001 0.0000001 -0.1515341742
0.000001 0.000001 -0.1515343599
0.00001 0.00001 -0.1515567078
0.0001 0.0001 -0.1516352818
0.001 0.001 -0.1517684307