Hello all,
I was wondering if anyone can send any useful hints or tips
for parameterizing a mixed multiple scattering shell comprised of two NaCl
type strucutres, like the AgBr(1-x)Cl(x) example. Has anyone worked
on fitting the third shell in that example? I am looking for examples of
nacl rocksalt-like FEFF calculations that have successfully parametrized
multiple scattering path contributions. Right now, after running feff, I'm
using a different delr / ss term for each multiple scattering path I
include. Does anyone have any clever ways of representing these in terms of
the delr/ss in the first shell? Also, FEFF is telling me that the amp and
mixing terms are almost completely correlated and this cause the amp term to
blow up.
Thanks all, I really appreciate the assistance!
Joseph
