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Re: [abinit-forum] extrapolar method and cohsex


Chronological Thread 
  • 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





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