Re: [Ifeffit] multiple absorber atoms

On 10/20/2014 10:27 AM, Scott Calvin wrote:

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.

This slide (and the surrounding pages) from one of my EXAFS Education talks elaborates on Scott's answer and may be helpful to you. https://speakerdeck.com/bruceravel/advanced-topics-in-exafs-analysis?slide=4... B

--Scott Calvin Sarah Lawrence College

On Oct 20, 2014, at 10:00 AM, Jesús Eduardo Vega Castillo 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 _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

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-- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 535A Upton NY, 11973 Homepage: http://bruceravel.github.io/home/ Software: https://github.com/bruceravel Demeter: http://bruceravel.github.io/demeter/