[Ifeffit] third cumulant in Larch

Matt Newville newville at cars.uchicago.edu
Fri Aug 19 12:34:48 CDT 2022


Hi Harry,




On Fri, Aug 19, 2022 at 9:10 AM Andy Zhang <hzhangcat at gmail.com> wrote:

> Dear all,
>
> I have a quick question related to EXAFS fitting using Larch. I wonder how
> to include the third cumulant in the fitting. I tried to add "third" in the
> "pars" section, but it seems it did not work.
>
> [image: image.png]
>
> Thanks a lot for your help!
>
>
By itself, that just sets up the parameters to be varied during the fit.
It does not specify how those will be used.

So: did you use the parameter named "third" in any of the Path Parameter
definitions?  Something like this

     path1 = feffpath('feff0001.dat',   s02 = 'amp', e0 = 'del_e0',
 sigma2='sigma2_eins(300, theta)',
                               deltar='alpha*reff',
                               third='third')

should work.

If not, please post a complete, minimal example showing what you are doing.

--Matt
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