[Ifeffit] [IFEFFIT] question about chemically unordered systems

Meutzner, Falk f.meutzner at hzdr.de
Tue Aug 7 08:42:31 CDT 2012

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

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