[Ifeffit] Xanes with Athena?

Bruce Ravel bravel at bnl.gov
Mon Oct 26 07:39:33 CDT 2009

On Monday 26 October 2009 04:42:44 am Annette Pietzsch wrote:
> I tried to use the self absorption function of the Athena package (FLUO)
> with my Xanes data (Fe3O4 at the Fe L3 edge). The program identifies the
> edge correctly, but gives only a zero line for the correction. I think
> it might be due to the energy value of the Fe L3 edge emission in the
> database which is prompted to be zero by Athena.
> Could this be the reason? If yes, is there a possibility to change the
> energy database to the correct value?


I am looking at the code in Athena for doing the self-absorption
correction.  When I wrote this, I did not give much attention to low
energy edges.  You are completely correct about the cause.  Athena is
uses the Lalpha1 energy for its calculation and is not clever enough
to check the Lalpha2 energy if the Lalpha1 is missing (which it is in
the Elam database.)

This is fixable.  I will discuss the database issue with Tim Elam,
it's proprietor.  I can also add a bit of intelligence to Athena so
that it can check the Lalpha2 energy if the Lalpha1 returns 0.  I will
put that on my list of things to do.

Unfortunately, I can't think of a easy work-around within Athena.



 Bruce Ravel  ------------------------------------ bravel at bnl.gov

 National Institute of Standards and Technology
 Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
 Building 535A
 Upton NY, 11973

 My homepage:    http://xafs.org/BruceRavel
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

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