[Ifeffit] Error in second shell fit

["Dr. Dariusz A. Zając"]

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" 
> <kicaj at ifj.edu.pl <mailto:kicaj at 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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>
>
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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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