Re: [Ifeffit] help: can I use ifeffit to predict chi?

2007-11-02 Thread Tai-Yen Chen
Hi, Bruce Thanks for the valuable information. I have tried the sum of pathes method to do the estimation. But it seems like not to accurtate compared to the data I found in the paper. So, I want to go back to the the proper fit fo find out poper sigma^2 and eo. But I don't have any numeric

Re: [Ifeffit] help: can I use ifeffit to predict chi?

2007-11-01 Thread Bruce Ravel
On Tuesday 30 October 2007 21:21:59 Tai-Yen Chen wrote: hi, Can anyone tell me whether I can use ifeffit to do this job? I want to know the % change in chi when the molecule have 3% change in radius? All I have is just the crystal struture of gamma-Fe2O3, which means I can only get the