[Wien] Meaning of density matrices for -so -orb

[Laurence Marks]

I am trying to understand exactly what spin-oribit & U (or eece) is doing,
so a very simple question which does not appear to be cleanly spelt out in
the user guide. When spin-orbit is included does the definition of the
density matrices change to represent the presence of the mixed states?

-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150523/20f24738/attachment.html>