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- From: Fabien Bruneval <fabien.bruneval@cea.fr>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] extrapolar method and cohsex
- Date: Thu, 07 May 2009 18:56:16 +0200
The extrapolar method is meaningless when calculating the COHSEX self-energy.
But, it can be used when calculating the screening used in the COHSEX self-energy.
Fabien
Manuel Pérez Jigato wrote:
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
- [abinit-forum] extrapolar method and cohsex, Manuel Pérez Jigato, 05/07/2009
- Re: [abinit-forum] extrapolar method and cohsex, Fabien Bruneval, 05/07/2009
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