Hi,
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
--
José C. Conesa
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie 2, Madrid, Spain
www.icp.csic.es
Tel. (+34)915854766
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