[Ifeffit] Coordination number
ravel at phys.washington.edu
Thu Oct 30 16:01:40 CST 2003
On Thursday 30 October 2003 07:20 pm, Dave Baker wrote:
> I'm interested in extracting coordination numbers from the S02 parameter
> in Artemis, and, as the beginner, I'm lost as to what to do. I am using
> two FEFF paths to describe the first shell, and have given each path its
> own S02 parameter. Any suggestions?
There is some useful information from the mailing list archives on
Go to my bug reports page:
and look for the "Common Q&A" box on the left side. Question #2 is
Another useful resource might be Chapter 10 from this document
It suggests one simple strategy to the problem of two different
scatterers in the first shell.
In short, just throwing two separate amplitude parameters at the
problem in hopes that the numbers fall out to be physically
interpretable is probably not the best strategy. You want to think of
some way to constrain the amplitude parameters for those two paths
in such a way that embodies the proper physics of the problem.
Once you've read over that material, don't hesitate to ask new
questions to the list.
Bruce Ravel ----------------------------------- ravel at phys.washington.edu
Code 6134, Building 3, Room 222
Naval Research Laboratory phone: (1) 202 767 5947
Washington DC 20375, USA fax: (1) 202 767 1697
NRL Synchrotron Radiation Consortium (NRL-SRC)
Beamlines X11a, X11b, X23b
National Synchrotron Light Source
Brookhaven National Laboratory, Upton, NY 11973
My homepage: http://feff.phys.washington.edu/~ravel
EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/
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