[Ifeffit] Edge step

2009-06-22 Thread Eugenio Otal
Hi, I am looking for some small differences in XANES spectra and want to know how to set the edge step to a right value. The differences are around 2 eV shift and a change in the edge step is critical. Thanks euG 8- - - - - - 8- - - - - - 8- - - - - - 8- - - - - -

Re: [Ifeffit] problem with E0 (enot) parameters

2009-06-22 Thread Zajac, Dariusz A.
Hi all, I had followed your advices and I can shortly summarised what I've got. I fitted with and without background with feff 6 and feff 8.4. For feff 8.4 I did also with SCF=4.0 I fitted only first two peaks (R(1.7-4A) k(3-15A^(-1))) for feff 6 and feff 8.4 I had the same values of E0 for N

Re: [Ifeffit] Edge step

2009-06-22 Thread Bruce Ravel
On Monday 22 June 2009 09:24:32 am Eugenio Otal wrote: I am looking for some small differences in XANES spectra and want to know how to set the edge step to a right value. The differences are around 2 eV shift and a change in the edge step is critical. Eugenio, I am afraid that the question,

Re: [Ifeffit] Interpolating in feff - the Lead Titanate example

2009-06-22 Thread Matt Newville
Hi Joseph, I think this thread may have gone under-noticed, so sorry for not responding. This seems like a really strange situation (how could Feff be getting path distances wrong??), but I suspect from your message that you may have been deliberately playing with the intermediate Feff files and

Re: [Ifeffit] Interpolating in feff - the Lead Titanate example

2009-06-22 Thread Matt Newville
Hi Joseph, On Mon, Jun 22, 2009 at 8:15 PM, joseph washingtonjswas...@ncsu.edu wrote: Hi Matt, Thanks for your reply. I actually did not diliberately modify the intermediate FEFF files. I think you should probably post the input file. Up to this point, I beleive that I've been following