[Ifeffit] Artimis
Matt Newville
newville at cars.uchicago.edu
Sat Oct 23 13:46:12 CDT 2004
> I did encounter that "No absorbing atom (ipot=0) defined" error
> sometimes, but I run Artemis only after I have feff calculations
> done.
I don't understand whether Feff ran to completion or not. Are you
saying that you made a successful run of Feff (including real
output files) but that Artemis still failed to read this
calculation? That seems pretty strange.
> By the way, I use FEFF8.
For Feff8, I believe you need to be much more careful about line
endings. It's not able to use Windows line-endings on unixes, for
example.
But also: why would you use Feff8 for EXAFS analysis, as with
artemis?? Feff8 is a XANES code. As far as I know, it does not
give any improvements for EXAFS.
--Matt
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