[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.


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:



  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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