[Ifeffit] XAFS Analysis using Ifeffit

Bruce Ravel bravel at anl.gov
Mon Jul 31 11:17:48 CDT 2006


On Saturday 29 July 2006 03:06, FARGES Francois wrote:
> Any decent model of the EXAFS for high Z cations should be done with that
> program, basically. Sixpack, ifeffit, but mostly FEFF, are missing the
> multi-electronic excitation (MEE) modeling. This is well known and their
> authors are well aware of this limitation.

Francois,

Wow!  That's a bold statement.  Many of us on this mailing list are at the
"expert" end of the experience scale and publish regularly on high-Z cation
EXAFS using Feff and (I)feffit.  Are you really suggesting that all of that
work is untrustworthy?

B

-- 
 Bruce Ravel  ---------------------------------------------- bravel at anl.gov

 Molecular Environmental Science Group, Building 203, Room E-165
 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007

 Argonne National Laboratory         phone and voice mail: (1) 630 252 5033
 Argonne IL 60439, USA                                fax: (1) 630 252 9793

 My homepage:    http://cars9.uchicago.edu/~ravel 
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/





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