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[abinit-forum] extrapolar method and cohsex


Chronological Thread 
  • 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




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