[Ifeffit] Error in second shell fit

Devender devend at rpi.edu
Tue Feb 19 09:42:29 CST 2013


Hi,

I am trying to fit Bi2Te3 exafs data using artemis. I am able to fit first
shell (screenshot of fit is attached, I have also attached 'atoms' and
'feff' files for reference) but when I am trying to include second shell, I
am getting the error (attached file- Fit_error.log). Error reads that- "The
R effective for this path is well beyond the rmax value of its Data
object." but I am already using Rmax of 6 A and Reff of these path are less
than 5 A in my fit. I will appreciate if anyone can guide me or point me
where I am making mistake.

Regards,
-- 
Devender
Graduate Student, Materials Science and Engineering
Rensselaer Polytechnic Institute, Troy, NY
Website <https://sites.google.com/site/devendermaun/>
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