[Wien] Energy resolved structure factors

[L. D. Marks]

I would like to (as far as possible) get energy-resolved
structure factors from the valence/semicore states. The
particular structure I am looking at is MgO, and I would
like the structure factors for the states associated with
Mg 2p. I've tried setting the seperation between the core
and valence states to -3, but as one might expect I run
into all sorts of problems. Any suggestions?

-----------------------------------------------
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
mailto:ldm at risc4.numis.northwestern.edu
http://www.numis.northwestern.edu
Nanocrystallography Workshop, http://ncem.lbl.gov/workshop.htm
-----------------------------------------------