Re: [Ifeffit] Error in second shell fit

Dev, I work with older Ifeffit version thus I can not help you much - I can not open (Artemis) or work (Athena) with projects... I have only one question - do you need to fit paths about 4A? I hope that someone on this mailing list will check your files regards kicaj W dniu 13-02-19 17:47, Devender pisze:

Dr. Kicaj,

I tried that too, went till 8 A, but it is still showing same error whereas R effective for second shell paths are 4.4 and 4.7 A. I have also attached athena file and artemis project file for my data for reference.

-Dev

On Tue, Feb 19, 2013 at 10:57 AM, "Dr. Dariusz A. Zając" mailto:kicaj@ifj.edu.pl> wrote:

Hi,

could you check if the same error appears if you give the Rmax of, let's say, 8A or even 6.5A? For higher R, the paths sometimes does not look like a single "gaussian" peak, but has some kind of "satellites". You have to also remember that each path consists of the real and imaginary part.

Regards kicaj

W dniu 13-02-19 16:42, Devender pisze:

...

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

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