Yes. But I am pretty busy these with my new beamline.
"Beamline scientist" is my actual job. "Software guy" is a side
project. So the software work gets done when it gets done.
On 01/12/2018 05:25 AM, José Carlos Conesa wrote:
Do you foresee that (in a not far future) Artemis may be adapted so that
it can use the results of feff8.5L?
All the best,
El 12/09/2017 a las 19:11, Bruce Ravel escribió:
Feff8L is not properly integrated into Artemis yet. Sorry. I have a
new beamline these days. It's hard to find time to work on the software.
This is on my to do list, but it's going to take a while.
On 09/12/2017 12:54 PM, José Carlos Conesa wrote:
I should like to use feff85L within Artemis (from Demeter 0.9.25),
just to check in my system whether selfconsistency has a role in
unifying E0 values (with feff 6, allowing different E0 for each
scatterer leads to E0 differences >10 eV, which seems too much to
me). I find that after loading the EXAFS data (from Athena) and a
model (a .cif file containing Cu, Ce and O atoms), if I click Run
Atoms and then Run Feff with feff6 as executable I get the usual set
of paths that allow me doing a fit of the data, but if I try to use
the feff85L.exe that comes with the Demeter software (by changing the
feff executable in the File/Edit preferences menu), after clicking
the Run Feff button (without including the SCF card) a bit of
computation happens and after finishing it the path list is empty.
¿Any idea of the possible reason why I get no path list?
Thanks in advance
Bruce Ravel ------------------------------------ bra...@bnl.gov
National Institute of Standards and Technology
Synchrotron Science Group at NSLS-II
Building 743, Room 114
Upton NY, 11973
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