[DFTB-Plus-User] information regarding GW within DFTB+
balint.aradi at bccms.uni-bremen.de
Wed Apr 24 16:56:11 CEST 2013
Dear Manuel Perez Jigato,
> I would be very grateful if someone could clarify the following point
> Does DFTB+ contain any implementation of GW? I seem to remember a paper in
> which some GW approximation was included in DFTB+, round about 2005....
It was implemented in the old Paderborn DFTB code. We ported that GW
implementation into DFTB+ 2007, but it has never become part of the
official trunk, as some things (like k-points) are still missing. So
depending what you intend to do, this development branch may or may not
fit your purposes.
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
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