[Ifeffit] multiple absorber atoms
scalvin at sarahlawrence.edu
Mon Oct 20 09:27:13 CDT 2014
Just make a path list for each crystallographic site, and then weight S02 for the paths by the fraction of absorbing atoms in the associated site.
Sarah Lawrence College
On Oct 20, 2014, at 10:00 AM, Jesús Eduardo Vega Castillo <jevecas at gmail.com> wrote:
> This is my first message to the list so I expect to do it right.
> I need to generate a path list for EXAFS fitting within ifeffit, based on a crystalline structure that has two different crystallographic positions for the absorber atom (edge K of Mo). Is there any way to do this?
> I would appreciate any information you could give me.
> Thanks in advance
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
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