[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,
Feng
> 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
DEMO
> > PART 1, everything went well before doing the fit, however when I click
the
> > 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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