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@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/