Re: [Ifeffit] SS and MS contributions to EXAFS

2011-06-18 Thread Scott Calvin
Hi Francisco, Following up on Matt's comment, a FEFF calculation with default option assigns sigma2 to be 0, and that probably won't result in relative contributions between SS and MS that look much like what happens in the real material. A better strategy would be to read the

[Ifeffit] SS and MS contributions to EXAFS

2011-06-17 Thread Francisco Garcia
Dear users, I would like to quantify the single scattering (SS) and multiple scattering (MS) contributions to the EXAFS spectra over a range of k values. I adopted the following approach and I would like ask experienced users if my approach is sound: (1) Run a regular EXAFS (default NLEG=8); I

Re: [Ifeffit] SS and MS contributions to EXAFS

2011-06-17 Thread Matt Newville
Hi Francisco, On Fri, Jun 17, 2011 at 7:34 PM, Francisco Garcia garcia.ff@gmail.com wrote: Dear users, I would like to quantify the single scattering (SS) and multiple scattering (MS) contributions to the EXAFS spectra over a range of k values. I adopted the following approach and I