[Ifeffit] XANES - Peak assignment and ionization potential with FEFF

Bruce Ravel bravel at bnl.gov
Tue Sep 17 10:50:55 CDT 2013

On 09/17/2013 01:42 AM, Ross Devol wrote:
> What about ionization potential? Does FEFF calculate it, or is there
> a way to extract it from the spectra?

Are you asking about edge energy on an absolute energy scale?  Some
measure of that can be found in xmu.dat, but I am not sure what the
current state of Feff's ability to calculate that reliably is.
Perhaps John, Kevin, or Josh might comment on that...?


  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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