Re: [Ifeffit] Query regarding inequivalent sites in the EXAFS fitting

29 Feb 2008

      Hi Eckhard:

On Fri, 29 Feb 2008, s440697@stud.uni-goettingen.de wrote:
...
Hi,
does your proceeding make sense for XANES calculations, too? For example
for an atom-cluster with some sulfur absorber?
best regards,
Eckhard
Yes, you can do this for XANES calculations too.  The outputs need to
be summed over all the inequivalent positions.

Carlo

--
Carlo U. Segre -- Professor of Physics
Associate Dean for Special Projects, Graduate College
Illinois Institute of Technology
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Re: [Ifeffit] Query regarding inequivalent sites in the EXAFS fitting

Carlo Segre