srDFT_SC/new/F2_vdz/data/data_DFT_vdz

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2019-12-19 19:51:50 +01:00
# FCI PBE PBEot
1.14 -0.1756488131 -0.1729180849 -0.1732075907
1.2 -0.1734202542 -0.1709141036 -0.1712257789
1.3 -0.1704441303 -0.1682117462 -0.1685621133
1.36 -0.1690084234 -0.1668936718 -0.1672679955
1.41193 -0.1679318363 -0.1658986463 -0.1662940642
1.5 -0.1663934126 -0.1644642894 -0.1648954908
1.6 -0.1649957741 -0.1631471721 -0.1636177676
1.8 -0.1630439787 -0.1612743981 -0.1618144230
2.0 -0.1619543357 -0.1601731997 -0.1607636981
2.2 -0.1614546912 -0.1596060414 -0.1602281453
2.4 -0.1612850989 -0.1593579402 -0.1599977902
2.8 -0.1614411832 -0.1594026793 -0.1600555350
8.0 -0.1607111259 -0.1586780076 -0.1593376453