Re: [Ifeffit] Scattering paths in XANES calculations
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
On 06/16/2014 03:43 AM, Stefanie Roese wrote:
thanks for your answer! My problem is how to get the E/mu information for each single scattering path.
Sorry, Stefanie. I don't know what that means. Feff computes mu(E) on a cluster and chi(k) on an individual path. In my talk, I plot mu(E) on clusters and FT(chi(k)) for individual paths. B
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?
-- Bruce Ravel ------------------------------------ bravel@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
participants (2)
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Bruce Ravel -
Stefanie Roese