[Wien] Slater TELNES/XAS method (or core hole) for magnetic atom

Laurence Marks laurence.marks at gmail.com
Wed Jul 31 03:31:25 CEST 2019


Maybe I am missing something.

To do TELNES/XAS with a core hole (or a Slater 1/2 hole) for a magnetic
atom, I believe one has to use runfsm to ensure that the spin state does
not change as that would be GIGO. I don't see this in the documentation,
and in fact the w2web TELNES won't do this right.

-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: www.numis.northwestern.edu/MURI
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
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