[Ifeffit] Scattering paths in XANES calculations
Bruce Ravel
bravel at bnl.gov
Thu Jun 12 14:42:22 CDT 2014
On 06/12/2014 10:07 AM, Stefanie Roese wrote:
> But now I fail at getting the plots with the Energy at the x-axis and
> the normailzed mu at the y-axis likle Bruce did it in his talk. Which
> program was used there? Athena? And how can I get the
> energy/mu-information out of my feffnnn.dat files to compare to the
> total spectrum? I think I am quite close to the solution, but it does
> not work.
Stefanie,
The R-space figures were made using Artemis. I fit the Fe foil data
using the version of Feff6 that comes with Artemis, then plotted the
data and the path relevant to each slide.
The energy plots were made using Athena back in the early days of Feff8
(which were also the early days of Athena!). The plots show Fe foil
data and (if I remember correctly) column 4 of the xmu.dat file that was
one of the output files from Feff of that vintage. I imported the data
and the xmu.dat file into Athena to make those plots. The calculation
is offset downwards a bit using the y-axis offset in Athena.
To answer Matthew's question: interesting? Not sure I'd go that far...!
Here's the link:
https://speakerdeck.com/bruceravel/a-practical-introduction-to-multiple-scattering-theory
B
--
Bruce Ravel ------------------------------------ bravel at 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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