[Ifeffit] delR and delE

[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 at 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
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-- 
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 at iit.edu    http://www.iit.edu/~segre