[DFTB-Plus-User] bulk antiferromagnetic Fe2O3 calculation

Bálint Aradi aradi at uni-bremen.de
Mon Mar 14 09:24:10 CET 2016

One additional note to what I have written before: You did not report,
which SK-set you have used, but if it happens to be the trans3d set (on
top of the mio set), so please keep it mind, that as far as I know, it
was never intended/tested for bulk systems, but was created to describe
single metal atoms in biological complexes. So, make sure, you validate
your results before you start to trust them.

  Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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