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