[Ifeffit] Need FEFF9 for Z> 95: how to use in Demeter?

[Matt Newville]

Hi Sharon,

On Mon, May 1, 2017 at 11:13 AM, Bone, Sharon Elizabeth <shbone at lanl.gov>
wrote:

> Hello,
>
>
>
> I have a problem with demeter that I am hoping to get some help with:
>
>
>
> My understanding is that the current version of demeter does not support
> versions of FEFF greater than 6. Usually this isn’t a problem for me, but I
> recently started working with elements with Z > 95 and FEFF6 can’t handle
> these elements.
>
>
>

That assumption is not actually correct.  In the Artemis preferences, you
can specify the executable used to run Feff.  Feff6L is provided because it
is freely available and easy for us to distribute.


> I recently tried to download an old version of demeter (ixafs through
> http://cars9.uchicago.edu/ifeffit/Downloads), but the link was no longer
> valid.
>
>
>
> Is there a way to access an old version?
>

Not that old version. But, it wouldn't actually solve your problem anyway,
and if you ran into any problem with it, no one would be able to help you
solve it.


> I’d far prefer to use the new vesion of demeter. Is there any chance that
> the capability to run higher versions of FEFF will be incorporated soon?
>
>
Yes.  In fact, Bruce and I are working (part of our time anyway, help is
always appreciated ;)) on integrating a version of Feff8 (EXAFS only) into
Larch/Demeter.  The goal is to be better able to run the Feff components
interactively rather than always treating every run of Feff as a standalone
calculation.  This will not be ready tomorrow, but it might be soon-ish.

In the meantime, if you have a version of Feff8 or Feff9, you should be
able to use that with Artemis.  Many people do.

--Matt
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