Re: [Ifeffit] multiple absorber atoms

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 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