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. Zając" 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. Zając" <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