Bruce and Chris,
Thanks for follow-up. I understand the frustration on your part.
Reason for doubt is I am doing exactly the same thing Chris suggested even
before posting the question here i.e. changing the rmax. I have changed
rmax to even 9 A whereas shell I am trying to fit is only 5 A (please see
attached screenshot) but still getting error log that reff is larger than
rmax. I know by default it is set to 3 A but I have tried to change it
values more then reff of path but still getting the same error. Please see
attached screenshot where rmax I am using is 7 A where as Reff is only
around 5 A but still getting the error log.
Regards,
Dev
On Wed, Feb 20, 2013 at 12:49 PM, Bruce Ravel
On Wednesday, February 20, 2013 10:54:02 AM Devender wrote:
Dr. Patridge,
Thanks for suggestion. I am not sure if I get completely, I do understand the difference of Rmax in artemis and feff. You mean make changes in rmax in feff input file? I did that and attached are screenshots for that but I am still getting the same error. Let me know if I interpreted your suggestion wrongly.
Dr. Kicaj, I am studying doping problems and it's important I get fitting from second and subsequent shells as there are new peaks that shows up at higher radial distances.
Regards, Dev
Dev,
I get the impression from your emails that you have not much availed yourself of the resources that are already available for learning how to use the software.
At http://bruceravel.github.com/demeter/ you will find the Artemis manual. I'll admit, it's still pretty mediocre, but it's a start. You will also find some videos that go a long way towards explaining how the software works.
You may find it useful to spend some time with those things. I certainly think some time spent with those resrouces would obviate a problem like "I am not sure if I ... completely ... understand the difference of Rmax in artemis and feff." That, frankly, isn't a very good question. While it is certainly true that Artemis suffers from being a program written by a physicist who has no training in computer science, user experience engineering, or design, you would have found the answer to that question even in the fairly crappy Artemis manual.
B
--
Bruce Ravel ------------------------------------ bravel@bnl.gov
National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973
Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
-- Devender Graduate Student, Materials Science and Engineering Rensselaer Polytechnic Institute, Troy, NY Website https://sites.google.com/site/devendermaun/
