[Ifeffit] Anyone out there do SEXAFS?

[John J. Rehr]

Hi Kristine,
 I basically agree with what Bruce Ravel wrote. We've occasionally done
FEFF calculations on surfaces (e.g. with K. Baberschke and students),
and the key to the calculation is to use appropriate Polarization
cards (and Ellipticity cards) in the calculation as described in the
doc. Please let me know if you have problems doing this.
 Cheers,
 John

> 
> I'm trying to analyze my SEXAFS data... if anyone out there has done this 
> before could you please drop me a line at k-kupiecki at northwestern.edu.... 
> I could really use someone that I can directly question and bounce
> procedures off of....
> 
> Inparticular I'm currently looking for suggestions for how to simulate
> with FEFF SEXAFS in the "grazing incidence" orientation (with the E
> vector of the synchrotron beam close (~0.2 deg) to the surface normal of
> the sample (incident beam ~.2 deg incident on surface).
> 
> Thus far I've been trying to analyze my samples with SEXAFS taken from a
> "normal geometry" (~0.2 angle incident to the beam and the E vector of
> the synchrotron beam in the plane of the surface)... I managed to
> simulate this with FEFF by giving it a hemispherical cluster representing 
> my surface...  But I'm a little confused what I need to change in FEFF to 
> replicate the information coming from just the inter planar bonding (in
> "grazing incidence") instead of both inter and intra planar bonding as
> found in the "normal incidence" situation....
> 
> Any suggestions would be greatly appreciated!
> 
> Thanks,
> Kristine (Kupiecki) Witkowski
> Northwestern University
> 
> 
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