[Ifeffit] Demeter Atoms & Vesta
bravel at bnl.gov
Wed Feb 22 15:34:29 CST 2012
On Monday, February 20, 2012 09:16:59 AM Andrew Korinda wrote:
> Morning all,
> I finally decided to try using Demeter and this morning went to use
> Athena. Opening my data was all fine but importing the cif file into
> atoms got me in trouble. Upon selecting the file I got a pop-up saying
> "Choose a record from this CIF file" however there is nothing listed.
> If I click OK, the program crashes. This is also reproducible if I run
> stand-alone ATOMS. I have generated the CIF files from VESTA where I
> modify the crystal structure manually. This hasn't caused an issue in
> the past but with Demeter, perhaps there is a header I need to add?
> Attached is the CIF file I'm trying to use along with the error logs.
> Also I am using Windows 7 and the previous IFEFFIT is still installed.
I haven't been wanting to ignore your question -- it's just been a
particularly busy week so far. I should have a moment to look into your CIF
file tomorrow, so hopefully I'll be responding substantively soon.
Bruce Ravel ------------------------------------ bravel at bnl.gov
National Institute of Standards and Technology
Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
Upton NY, 11973
My homepage: http://xafs.org/BruceRavel
EXAFS software: http://cars9.uchicago.edu/ifeffit/Demeter
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