srDFT_G2/Data/data_srDFT/data_VDZ/data_N2H4_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 -0.1804219304 -0.1726257386
0.000001 0.000001 -0.1804971250 -0.1732328410
0.000001 0.00001 -0.1804887026 -0.1738544799
0.000001 0.0001 -0.1813674306 -0.1780143552
0.000001 0.001 -0.1825213990 -0.1876244794