Hi Jose,

On Thu, Sep 14, 2017 at 3:54 PM, José C. Conesa <jccon...@icp.csic.es>
wrote:

> Hi Matt,
>
> Some comments (hopefully final):
>
> 1-A Windows version of feff85L (called FEFF8-Lite) is freely available,
> with some other codes, at
>
> http://leonardo.phys.washington.edu/feff/Bin-Source-
> feff8Lite/Bin-Source.html
>

OK, thanks for the link.  I was not aware that binaries were being
distributed there.  I would guess that they work, though I have not tried
these myself.

> One can also find the feff85L.f source code in other places.
>
> 2-Being able to generate automatically with Artemis an input file for
> feff8 is of course convenient, even if one would have to enter by hand
> some keywords (e.g. SCF) to get the full functionality. I did this, added
> into Artemis the so modified feff.inp file and tried to run feff8 with that
> file. I found a message saying "You are running Feff8 with self-consistent
> potentials.It WILL be time consuming and all interaction with Artemis will
> be blocked until the Feff calculation is done. Currently Artemis does not
> provide real-time feedback, so you will have to be very patient." I would
> say that gives the impression that Feff8 can indeed be used within Artemis.
> Indeed you say "Artemis has been able to use various versions of Feff8 for
> a very long time". Is it still possible?
>

Yes. Or, it should be.  Perhaps this Feff85L.exe did run for you, but just
not do everything you wanted?


> 3-I do have (properly licensed) feff 9, and indeed have its documentation
> independently of Demeter. On the other hand, unless one has an illegal copy
> of feff 9 I do not see the usefulness of having that documentation without
> having a license.
>

I don't know of anyone with an illegal copy of Feff9.  I've only seen it
run in classes, and do not have a copy myself.

The fact that Artemis points to the on-line Feff documentation is very
convenient.  That this is for Feff9 and not Feff8 or other versions is not
really in our control.   Artemis comes with the latest version of Feff that
it can.


> 4-Unfortunately I am not competent enough as programmer. I would not be
> able to contribute to make Artemis able to use feff8 calculations. If you
> have not time to devote to it, I fully understand it. Already what has been
> done in Demeter is a great work.
>

A great many people say the same thing.  If that "many" becomes "everyone"
you will not have to worry which version of Feff can be run by Artemis.

--Matt
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