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.html
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 ------------------------------------ bra...@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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