[Ifeffit] doubts

Feng Wang fwang at phys.ualberta.ca
Wed Nov 9 23:27:23 CST 2005

Hi Carlo.

Thanks a lot for the solution, it works.
Best regards,


> On Wed, 9 Nov 2005, Feng Wang wrote:
> > Dear Bruce and Scott,
> >
> > I am a beginner of IFEFFIT, trying to follow Scott's example. In the ZnO 
> > PART 1, everything went well before doing the fit, however when I click 
> > green button "Fit", I was told  by the message:
> >
> > This parameter uses a name which has special meaning in Ifeffit:
> > 	dr
> > You must change this parameter name before attempting to fit.
> > One common example of this sort is a variable named "dr1", which
> > should be changed to something like "dr_1" or "drone".
> >
> > Could you or anyone direct me? I would appreciate that.
> >
> Dear Feng:
> Click to the Interpretation tab and select "Guess, Def, Set" in the 
> middle pane.  YOu should see all the variables that are defined.  My guess 
> is that you have "dr" instead of something like "delr".  Change the name 
> to "delr" and then click on the individual paths and change any occurence 
> of "dr" to "delr".
> If you are working on Scott's example for ZnO, I am not sure how you got 
> "dr" as he uses "delr" in evrything as far as I recall.  In fact, I just 
> looked at the tutorial myself and if I follow all the instructions, I get 
> the following variables in the "Guess, Def, Set"
>  	amp
>  	enot
>  	delr
>  	ss
> note that Scott's instructions are for an older version of Artemis and 
> there is not menu entry for loading a FEFF calculation, instead you need 
> to Open File, go into the FEFF subdirectory and select "feff.inp". 
> Artemis is smart enough to know that this is a calculation and asks how 
> many paths to import.
> hope this helps,
> Carlo
> -- 
> 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

Feng Wang
fwang at phys.ualberta.ca
CW182 (Tel 492-5599)
Electron Microscopy Group
Department of Physics

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