[Ifeffit] multiple absorber atoms

Scott Calvin scalvin at sarahlawrence.edu
Mon Oct 20 09:27:13 CDT 2014


Hi Jesus,

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.

--Scott Calvin
Sarah Lawrence College


On Oct 20, 2014, at 10:00 AM, Jesús Eduardo Vega Castillo <jevecas at gmail.com> wrote:

> Hello,
> 
> 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
> 
> Jesus
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