[Ifeffit] 2011 XAFS Summer school

2011-04-04 Thread sumitk
Dear Members, I am interested to attend the 2011 APS/IIT XAFS Summer school. I have written to Dr. Bunker for details but however, i am not able to reach him. I have already written (e-mail) to him on bun...@iit.edu site but i did not get reply. If dr. Bunker is on the mail list, i expect to reach

Re: [Ifeffit] Third cumulant in DWF

2011-04-04 Thread Matt Newville
Hi Yuan, (Bruce, Matthew), Yes, the correction described by Tranquada and Ingalls is explicitly included in ifeffit's fits. There are a couple different effects going on. Short of doing actual integrals over g(R), we try to take all the effects into account. The cumulant expansion models the eff

Re: [Ifeffit] Third cumulant in DWF

2011-04-04 Thread Matthew Marcus
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:

Re: [Ifeffit] Third cumulant in DWF

2011-04-04 Thread Bruce Ravel
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 satisfac

Re: [Ifeffit] Third cumulant in DWF

2011-04-04 Thread Matthew Marcus
The lambda is in the amplitude. I assume FEFF does not integrate over the distribution of distances, which is where the term in question comes from. That is, FEFF calculates A (complex) in chi(k) = Im(A(k)*exp(-lambda*R+2*i*k*R)/R^2) for a single R, but what you want with a non-0 ss (Artemi

Re: [Ifeffit] Third cumulant in DWF

2011-04-04 Thread Bruce Ravel
On Monday, April 04, 2011 05:25:39 pm Ping, Yuan wrote: > Does the math expression in IFEFFIT include the term -4k*sigma2*(1/labmda > +1/R) in the phase? If yes, the 1st cumulant is sigma1= R+dR. If no, > sigma1= R+dR+2*sigma2*(1/labmda +1/R). It this correct? When Ifeffit evaluates the exafs equa

Re: [Ifeffit] Third cumulant in DWF

2011-04-04 Thread Ping, Yuan
Thanks, Bruce. Does the math expression in IFEFFIT include the term -4k*sigma2*(1/labmda +1/R) in the phase? If yes, the 1st cumulant is sigma1= R+dR. If no, sigma1= R+dR+2*sigma2*(1/labmda +1/R). It this correct? Yuan On 4/1/11 2:18 PM, "Bruce Ravel" wrote: > On Friday, April 01, 2011 05:03: