[Ifeffit] Scattering paths in XANES calculations

Stefanie Roese stefanie.roese at udo.edu
Mon Jun 16 02:43:31 CDT 2014


Dear Bruce,
thanks for your answer! My problem is how to get the E/mu information for
each single scattering path. If I get it right, the xmu.dat contains the
sum of all scattering paths. This is the blue curve in your talk. But
there are also the spetra for the first,s econd, third,... path at page 11
in red. I think the information comes from the feff0001.dat. feff0002.dat
and so on. But these files do not contain mu! Or do I understand it wrong?
I have no data to fit, just the FEFF calculations. Is there any
possibility to get the XANES spectrum of all paths and the XANES spectrum
of every single path to compare how the single paths influence the
complete spectrum?

Thanks!
Stefanie




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