Re: [Ifeffit] McMaster correction

2011-06-17 Thread Scott Calvin
Thanks, all! Here's what I got out of the discussion: FEFF is calculating the correct chi(k), and applying an approximate correction introduces additional sources of error. But the only way to measure chi(k) is to extract it from unnormalized data, and the original definition of chi was

Re: [Ifeffit] McMaster correction

2011-06-17 Thread Scott Calvin
I apologize if I have abused the list while working on my text. I will find a different channel for raising these questions and requests once the current discussion is complete. --Scott On Jun 16, 2011, at 8:11 PM, Matt Newville wrote: Hope that helps.I have to admit I'm a little

Re: [Ifeffit] McMaster correction

2011-06-17 Thread Matt Newville
HI Scott, I don't think it's abusing the list to bring up topics of discussion. I was just noticing that I was finding myself being more reserved in my answer than if someone had simply asked what's the McMaster correction and when do I need it?.I haven't looked at your book chapters partly

[Ifeffit] McMaster correction

2011-06-16 Thread Scott Calvin
Hi all, I've been pondering the McMaster correction recently. My understanding is that it is a correction because while chi(k) is defined relative to the embedded-atom background mu_o(E), we almost always extract it from our data by normalizing by the edge step. Since mu_o(E) drops

Re: [Ifeffit] McMaster correction

2011-06-16 Thread Bruce Ravel
Scott, Is this a discussion topic or a feature request? :) B On Thursday, June 16, 2011 08:28:18 pm Scott Calvin wrote: Hi all, I've been pondering the McMaster correction recently. My understanding is that it is a correction because while chi(k) is defined relative to the embedded-atom