Dear Dr Ravel, In the previous version of ARTEMIS, it was possible to separately do FEFF calculations (with FEFF7, FEFF8 or FEFF9) and then to import all paths or one by one in ARTEMIS (theory menu) to fit the experimental data. Is it still possible with the new version D-ARTEMIS ? If yes, how to proceed to do that because I did not manage to do it. Thank you for your answer. Sincerely yours
On 04/18/2014 09:01 AM, JOLLIVET Patrick wrote:
Dear Dr Ravel,
In the previous version of ARTEMIS, it was possible to separately do FEFF calculations (with FEFF7, FEFF8 or FEFF9) and then to import all paths or one by one in ARTEMIS (theory menu) to fit the experimental data.
Is it still possible with the new version D-ARTEMIS ?
If yes, how to proceed to do that because I did not manage to do it.
A frequently asked question. See http://www.mail-archive.com/ifeffit%40millenia.cars.aps.anl.gov/msg04181.htm... and the link therein to earlier discussions. You may be able to make progress by setting the atoms->feff_version and feff->executable parameters in Artemis' preferences dialog. But, as I have stated many many times on this list, I do not consider it a good use of my time to support the versions of feff that are not redistributable. We would, of course, welcome help in getting this https://github.com/xraypy/feff85exafs to a state where it can be readily used with Larch and with my software. The fact that no one has yet volunteered to help with this sort of confirms my reluctance to put too much effort in this area. B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel
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Bruce Ravel -
JOLLIVET Patrick