[Ifeffit] fitting

[Frenkel, Anatoly]

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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