Thank you, it helps.
The files are created with IgorPro, first developed for Mac, and could be that
there is an old fashion character left.
Greetings, Anna.
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Von: ifeffit-boun...@millenia.cars.aps.anl.gov
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Hello everybody,
I'm trying to make Co K-edge EXAFS fitting for the Co3O4 compound (*.cif
file is attached). The nearest neighbour of Co is oxigen at about 1.93
Angstrom distance.
Cobalt sits in two inequivalent sites in the unit cell. When I perform the
FEFF calculation in Artemis for either one
Hi Eugenio,
Quick question: Did you change the tags for the Co atoms so that they are
different?
If I do that, I get 4 and 6 coordinate results. you can import the cif file
twice, run atoms on both
sites (with tags different) and get the two feff inputs for running.
-R.
On Thu, Apr 9, 2015 at 5:
