[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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