[Ifeffit] fitting

[Frenkel, Anatoly]

Then what I wrote is an overkill...
Anatoly
 
________________________________

From: ifeffit-bounces at millenia.cars.aps.anl.gov on behalf of María Elena Montero Cabrera
Sent: Thu 5/13/2010 5:34 PM
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] fitting


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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