[Ifeffit] Coordination numbers using Artemis and sixpack

Nicolae L. Aldea naldea at itim-cj.ro
Mon Mar 5 10:06:39 CST 2012


Dear users,

I ealized some XAS measurements regarding to supported gold catalysts as
well as a standard sample on Au foil.

1. I like to a comparative analysis using Artemis and sispack. I have
obtained some results using Artemis code. Unfortunately, for me is not so
clear how to determine coordination numbers associated with each shells. I
set dgen =1, I obtained S**2 values then I introduced S**2 in fist sample
for fit step but I do not how to obtained values for different
coordination shells.
2. Additionally, I like to use sixpack code. In this way I determined all
steps up to |chi(r)|  I tried to continue with make FEFF SS paths and FEFF
exafs fitting. Unfortunately I could start the last steps. Are you so kind
to indicate me how to do. Can you indicate me any tutorials or some
examples to understand how to create SS paths and exafs fitting.

Tanking you in advance
Nick Aldea



*******************************************************
*             Dr. Nicolae L. Aldea                    *
*  National Institute for Research and Development    *
*  for Isotopic and Molecular Technologies            *
*  Donath Street 65-103, P. O. Box 700                *
*     400293 Cluj-Napoca, Romania                     *
*  E-mail:      naldea at itim-cj.ro                     *
*  Details:  http://L30.itim-cj.ro/~naldea/index.htm  *
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