[Ifeffit] fitting

2010-04-22 Thread mohamed sobhy
Dear all I am trying to fit some data of coordination number 8, but I always find the fitting of the first shell give the coordination number only about 0.5. I do not know what is wrong. Do I need to fit first and second and third shells altogether, and if that is right how Can I do that??

Re: [Ifeffit] fitting

2010-04-22 Thread Shelly Kelly
Hi Mohamed: It is hard to help you without some more information. The coordination number (CN) is a little bit complicated by the high correlation it has with the value for S02, degeneracy, and the normalization edge step. You have to have all of those things correct to get the CN correct. If you