forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- From: Manuel Pérez Jigato <Manuel.PerezJigato@fys.kuleuven.be>
- To: forum@abinit.org
- Subject: [abinit-forum] extrapolar method and cohsex
- Date: Thu, 07 May 2009 18:52:52 +0200
Dear all
is the extrapolar method compatible with the sequence
"self-consistent cohsex" + one-shot gw?
is it just to be used (extrapolar method) for the gw part? in which case the
sc-cohsex would not be converged wrt nband..
in principle cohsex should need only occupied bands,
but due to the self-consistency and subsequent gw,
you would update all the bands you will be needing
later on
any advice would be appreciated
thanks
--
Manuel Pérez Jigato
KU Leuven
- [abinit-forum] extrapolar method and cohsex, Manuel Pérez Jigato, 05/07/2009
- Re: [abinit-forum] extrapolar method and cohsex, Fabien Bruneval, 05/07/2009
Archive powered by MHonArc 2.6.15.