srDFT_G2/Data/data_srDFT/data_VDZ/data_Li_cc-pVDZ_HF_LDA
Emmanuel Giner cd437fca20 Na Li
2018-12-19 12:10:16 +01:00

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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000001 0.0000001 -0.4315851327
0.000001 0.000001 -0.4315939456
0.00001 0.00001 -0.4316208516
0.0001 0.0001 -0.4316801926
0.001 0.001 -0.4317954398