Spin constants
--------------

Note, the calculation of the spin constants follows here for all elements the
convention as used for the Hubbard U values: For non-occupied atomic orbitals
(orbitals above HOMO) the corresponding value of the HOMO is used.

H:
     -0.07174
C:
     -0.03062     -0.02505
     -0.02505     -0.02265
N:
     -0.03318     -0.02755
     -0.02755     -0.02545
O:
     -0.03524     -0.02956
     -0.02956     -0.02785

S:
     -0.02137     -0.01699     -0.01699
     -0.01699     -0.01549     -0.01549
     -0.01699     -0.01549     -0.01549

Au:
     -0.01304     -0.01304   -0.00525
     -0.01304     -0.01304   -0.00525
     -0.00525     -0.00525   -0.01082