Hi,
Well, the information on this was somewhat confusing. Thus:
1-In the main Artemis
window, after importing a .cif file to do a Feff calculation,
the Atoms tab includes in the Export button the possibility of
generating a .inp file with feff8 format; this is mentioned as
well in the corresponding part of the Help documentation. Since
no warning appears at that point about the impossibility of using
that .inp file in Demeter, one would believe that such thing is
indeed possible. For this reason, although indeed no feff8
executable comes with Demeter (my excuses for having assumed
otherwise), I managed to obtain a feff85L.exe file and put it
some time ago in the same Demeter directory as feff6.exe. Then I
forgot that feff85L.exe did not come with Demeter. And when
choosing the feff executable with the Edit preferences menu
item, I thought that the mention there that feff8 was not yet
supported was outdated.
2-In that same Help documentation, section 4.2 The Feff tab gives a link to the documentation of FEFF9. This gives the impression that the documentation is not very consistent.
All this said, one can now only wish that a Demeter version allowing the use of feff8 is released some day.
Thanks anyway for the clarifications.
José Carlos
On 09/13/2017 09:35 PM, Matt Newville wrote:
Then again, maybe Demeter does come with a working feff8l, and I just wasn't aware of it.
Not yet. :(
B
-- José C. Conesa Instituto de Catálisis y Petroleoquímica, CSIC Marie Curie 2, Cantoblanco 28049 Madrid, Spain Tel. (+34)915854766