[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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