[Wien] DOS with spin-orbit
John Appleton
banger_deep at yahoo.com
Tue Apr 22 18:05:13 CEST 2008
Dear users,
I wish to ask a question concerning the
density of states when SO is present.
As is known, SO no longer makes spin
a good quantum number yet WIEN2k allows
the spin-up and spin-dn DOS to be computed
when SO is present. In such a case how does
one interpret spin-up and spin-dn DOS. For example,
does spin-up DOS for p correspond to p_1/2 and
spin-dn DOS for p correspond to p_3/2 ? If the answer
is no, how does one compute the "actual" p_1/2 and
p_3/2 DOS.
Thanks
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