I have 3 different values of Eo for the fit. 2 for the first shell and
the 3rd for the rest of the paths. Actually the bond distance of the 6
oxygens in the first shell differs. 3 of them have a bond length of
around 1.9 A and the other 3 around 2.2 A. So using one value of Eo
does not fit the second peak very well.
Ritika
Quoting "Carlo U. Segre"
delR is just the deviation from the distance you used in the feff.inp file to generate the paths. It can be positive or negative depending on
whether these atoms are closer or further away from the central atom.
By delE, do you mean Eo? When you say two values, do you mean different values for two different shells? Carlo
On Wed, 13 Oct 2004, ritika.uppal@yale.edu wrote:
Hi guys, I have a few questions about the fitting parameters. the delR for my fit has a negative value. Is that wrong or its possible to have a negative value?? and also for the first shell, I have 2 values of del E. Does that mean that the model I am using is not a good one??
Thanks for all your help Ritika _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
-- Carlo U. Segre -- Professor of Physics Associate Dean for Special Projects, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 Carlo.Segre@iit.edu http://www.iit.edu/~segre _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit