[Ifeffit] multiple absorber atoms
bravel at bnl.gov
Mon Oct 20 10:14:21 CDT 2014
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.
> --Scott Calvin
> 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
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
Bruce Ravel ------------------------------------ bravel at bnl.gov
National Institute of Standards and Technology
Synchrotron Science Group at NSLS-II
Upton NY, 11973
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