[Ifeffit] Contributions from 2 paths
Matt Newville
newville at cars.uchicago.edu
Fri Aug 25 15:47:34 CDT 2006
Hi Matt,
> I am analyzing Neodymium Oxide with G.I.Feffit. I have two paths and
> I'm having trouble showing the contributions (chi data, Forward and back
> Fouirer Transform) to the fit from each path. I ran into a problem with the
> Sigma2 for the second path, sigma2_2.
> When I guess sigma2_2 I can print out the individual path contributions to
> the fit with the fitted parameters factored in. If I define, def ( ),
> sigma2_2 = sigma2_1 then the path contributions that I try to print out do
> not have the debye-waller parameters factored in.
Hmm, it seems like the do to me. From sigma2_2=sigma2_1.log it says
Variable
...
sigma2_1 = 0.00293519 +/- 0.03474220
...
sigma2_2 = 0.00293519 := sigma2_1
Path 1
...
ss2 = 0.002935
Path 2
...
ss2 = 0.002935
> I have tried the analysis with feffit245 and the path contributions it shows
> seem be consistent with the fit. So, I figure I must be writing something
> wrong in my command file.
The input files look OK to me. There is a concern that your results have very
large uncertainties, for example that e0_1 refines to 13.4 +/- 124. I'd guess
that starting with a single e0 for the two paths might help.
Or perhaps I'm just not understanding the question???
--Matt
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