[Ifeffit] Applicable scope of delr=alpha*reff

Jasen Vita jvita at gm.slc.edu
Wed Aug 3 12:40:06 CDT 2016


Yeah, thanks bruce and Scott. It's been a long time since I've looked at
and done synchrotron science, and today just decided what the heck, let's
read some of what's going on in the Ifeffit mailing list. Just a friendly
stop by from a guy that spent a lot of time in college during the summers
trying to figure this stuff out, and noticing strange how after several
years, I actually understand the information provided by Bruce and Scott
much better now than I did when I was actually doing this kind of research.

Happy researching to all. -- Jasen Vita, Sarah Lawrence Alum


On Wed, Aug 3, 2016 at 5:19 AM, woschangqiang <woschangqiang at 126.com> wrote:

> Than you very much for the provided link from Bruce Ravel and answer from Scott
> Calvin.
>
>
>
>
>
>
> At 2016-08-02 20:58:36, "Scott Calvin" <scalvin at sarahlawrence.edu> wrote:
>
> If you think it’s plausible that the crystal is expanded or contracted
> isotropically and homogeneously, then it’s a model worth trying. It’s
> usually my first model for fitting just about any crystalline material.
> Often, the resulting fits are not good, and then I have to try other
> models. But sometimes, particularly when the differences from my model
> structure are small, it works fairly well.
>
> In terms of the criteria I described here
> <https://www-ssrl.slac.stanford.edu/conferences/workshops/srxas2011/presentations/calvin_2011.pdf> and
> elsewhere, it has the advantage of “simplicity” under criterion 4. Whether
> or not it produces a good fit under the other criteria is, of course,
> something that you have to find out for each system.
>
> —Scott Calvin
> Sarah Lawrence College
>
> On Aug 2, 2016, at 6:27 AM, woschangqiang <woschangqiang at 126.com> wrote:
>
> Hi, everyone.
> delr=alpha*reff is very powerful in the fit of cubic system. And I want to
> know whether this function can be used in other crystal system. Thank for
> your patient answer.
>
>
>
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