OK, so if you don't add a sigma2 to your FEFF input file, then IFEFFIT will do the correction properly. Another question is whether, if you add a sigma2 to feff.inp, what does FEFF do? mam On 4/4/2011 3:37 PM, Bruce Ravel wrote:
On Monday, April 04, 2011 06:01:20 pm Ping, Yuan wrote:
So the term is included? Please see the attached paper. I meant the Coj(k) in Eq. (5).
The answer is "yes, Matt wrote Ifeffit correctly". But I am beginning to suspect that I am will never be able to answer your question to your satisfaction in words. Fortunately, you can go code diving. Once again, free software is the cat's pajamas.
Here is where the theoretical chi(k) is assembled:
http://cars9.uchicago.edu/svn/ifeffit/trunk/src/lib/chipth.f
Your question is answered between lines 132 and 173.
B