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 <fren...@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-boun...@millenia.cars.aps.anl.gov on behalf of mohamed sobhy > Sent: Thu 5/13/2010 5:21 PM > To: ifeffit@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 > > > > > _______________________________________________ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > -- 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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