[Ifeffit] fitting

[María Elena Montero Cabrera]

I don't know anything about CeO2, but...for me there is something wrong
since the Athena fitting, because there are too many peaks below the main
one, and specially below 1 A. Am I right or not?

Maria Elena

2010/5/13 Frenkel, Anatoly <frenkel at bnl.gov>

> There is a large number of articles explaining how to fit CeO2 including
> discussions why multi-electron excitatoins complicate the fit, and some of
> those authors (e.g., A. Soldatov, but also M. Benfatto) propose first
> principle methods that account for those.
> Some papers even show that ignoring those contributions may give a decent
> fit, but you should be aware of the multitudes of theoretical issues
> surrounding EXAFS modeling of this system before trying it on your own.
>
> Anatoly
>
>
>
> ________________________________
>
> From: ifeffit-bounces at millenia.cars.aps.anl.gov on behalf of mohamed sobhy
> Sent: Thu 5/13/2010 5:21 PM
> To: ifeffit at millenia.cars.aps.anl.gov
> Subject: [Ifeffit] fitting
>
>
> Dear all
> I am trying to use artemis to do fitting to CeO2. But really I cant get the
> right way to do that.
> During the fitting, I am using amp as set and change in N degeneracy of the
> path. attached is the best fit i got but it still not good and the
> chi-square is 41.109065479
> so can you suggest me what to do
>
> thanks
>
> Mohamed
>
>
>
>
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>


-- 
María Elena

Dra. María Elena Montero Cabrera
Departamento de Medio Ambiente y Energía
Centro de Investigación en Materiales Avanzados (CIMAV)
Miguel de Cervantes 120, Compl. Ind. Chihuahua
Chihuahua CP 31109, Chih. México
Tel (614) 4391123
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