On Wed, 9 Nov 2005, Feng Wang wrote:

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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

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

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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@iit.edu http://www.iit.edu/~segre

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