Re: [Ifeffit] Using larch for feff Fitting -> simple 4 parameter fit

Thanks for the feedback:

Am 18.08.2022 um 13:55 schrieb Christopher Patridge :

Stefan,

The simple 4 parameter fit typically involves just a single path such as the first coordination shell. Do you have multiple paths or multiple unique scatterers inside the first coordination?

Artemis allows to do a fit with one structure with the for parameter: amp and enot (aka So2 and e0 in larch) and fit also with one delr (difference to structure) and one ss (aka sigma2 in larch) This is not really perfect, but a nice and fast check of your structure best regards Stefan Mangold

Chris

...

On Aug 18, 2022, at 7:50 AM, Mangold, Stefan (IPS) wrote:

Dear all,

I try to use larch for Feff Fitting. For a first start, I liked the option of Artemis with the „simple 4 parameter fit“. Larch produces for every path an independent dear and sigma2. Is there a simple way to make this simple 4 parameter fit also in larch?

best regards

Stefan Mangold

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