Re: [Ifeffit] Linear combination analysis

2008-06-05 Thread Matthew
MessageOne possibility is over-absorption, which will affect the XANES and EXAFS a bit differently. mam - Original Message - From: Anatoly Frenkel To: 'Ravel, Bruce' ; 'XAFS Analysis using Ifeffit' Sent: Thursday, June 05, 2008 7:58 AM Subject: Re: [Ifeffit] Linear combinat

Re: [Ifeffit] Linear combination analysis

2008-06-05 Thread Anatoly Frenkel
Sebastiano: Sounds like a martensitic transition since it depends on the annealing time. Thus, as Bruce wrote, XANES and EXAFS may be expected to be different, due to the different lengths scales - if the boundaries of local fcc regions are small. Another origin of this discrepancy in x and y bet

Re: [Ifeffit] Linear combination analysis

2008-06-05 Thread Bruce Ravel
Hi Sebastiano, > I study a binary alloy (Fe98.7Cu1.3) where a phase change from bcc to fcc > is evident (at the Cu K edge of course) and it depends on the annealing > time. I have 4 samples A,B,C,D, where the A shows a perfect bcc structure, > while the D a clear fcc structure. B and C have stru

[Ifeffit] Fwd: Feff calc

2008-06-05 Thread Bruce Ravel
Hi Gemma, I don't know what that error message from Feff means either, so I am forwarding this along to the Ifeffit mailing list in hopes that someone else -- maybe someone from John's group -- can explain. If I had to guess, I would say that there was a problem constructing the muffin tins eith

[Ifeffit] Linear combination analysis

2008-06-05 Thread Cammelli Sebastiano
Dear I study a binary alloy (Fe98.7Cu1.3) where a phase change from bcc to fcc is evident (at the Cu K edge of course) and it depends on the annealing time. I have 4 samples A,B,C,D, where the A shows a perfect bcc structure, while the D a clear fcc structure. B and C have structure that is a