[DFTB-Plus-User] information regarding GW within DFTB+

Bálint Aradi 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.

  Best regards,

  Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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