srDFT_G2/Data/data_srDFT/data_VDZ/data_C_cc-pVDZ
2018-12-19 11:48:30 +01:00

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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.0580165906 -0.0502250228
0.000001 0.000001 -0.0580183030 -0.0502310479
0.000001 0.00001 -0.0580545614 -0.0502893770
0.000001 0.0001 -0.0580805746 -0.0503596736
0.000001 0.001 -0.0586180202 -0.0524701812