[Ifeffit] Scattering paths in XANES calculations
Stefanie Roese
stefanie.roese at tu-dortmund.de
Thu Jun 12 09:07:53 CDT 2014
Dear all,
I am performing XANES calculations for silver clusters with FEFF.
Aditional to my XANES results, I would like to get information about the
participating scattering paths and how they influence my spectra. In
detail I want to get the same pictures that Bruce ravel used in his talk
"a practical introduction to multiple scattering theory" from page 11. I
have performed calculations for XANES using the rpath algorithm to
obtain the feffnnnn.dat files. I already checked, that the course of the
rpath spectra agrees to the fms calculations in ordner to make sure
that the algorithm converged.
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.
Thanks in advance for every help!
Steffi
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