Dear IFEFFIT Community,
is there a way to calculate the spectrum for chemically disordered systems? We
have a simple binary bcc structure. It crystallises either in superstructure
(CsCl) or chemically disordered (W type) with both atoms randomly taking part
of either (0,0,0) or (0.5,0.5,0.5). It is easy to get the superstructured
model for artemis, but we have no clue how to model the disordered system...
Thanks a lot for your help, we really appreciate it.
Best regards
Falk