Dev,
I don't know if my email was received. The think the problem is what
you interpret as rmax. Rmax in artemis is the maximum value of R that
you fit the data with, whereas rmax in feff is the largest distance from
the center absorbing when calculating all the paths.
The reason changing the rmax in feff does remove the error is that you
must change the fitting range in (D)Artemis. I think the default vaue
is ~ 3 A.
Chris
********************************
Christopher J. Patridge, PhD
NRC Post Doctoral Research Associate
Naval Research Laboratory
Washington, DC 20375
Cell: 315-529-0501
On 2/20/2013 3:13 AM, "Dr. Dariusz A. Zaja;c" wrote:
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. Zaja;c"
<ki...@ifj.edu.pl <mailto:ki...@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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