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Re: [abinit-forum] Defect Level using GW Method

From: matthieu verstraete <matthieu.jean.verstraete@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] Defect Level using GW Method
Date: Mon, 1 Jun 2009 09:49:22 +0200
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In principle yes, no problem. In practice, however, it will be very
heavy. You will need a very large supercell to converge and the GW
will be even heavier.

Matthieu

On Sat, May 30, 2009 at 10:51 AM, ren <opticalcase@gmail.com> wrote:
> Dear All:
>
> I would like seek your advise if in the current development of GW
> method in Abinit, is it possible to calculate the defect level in the
> bandgap of wide band gap semiconductor when point defect is present?
>
> Cheers,
> Yee Yan
> Nanyang Technological University
> Singapore
>

--
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete

European Theoretical Spectroscopy Facility (ETSF)
Dpto. Fisica de Materiales,
U. del Pais Vasco,
Centro Joxe Mari Korta, Av. de Tolosa, 72, Phone: +34-943018393
E-20018 Donostia-San Sebastian, Spain Fax : +34-943018390

Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500

Re: [abinit-forum] Defect Level using GW Method, matthieu verstraete, 06/01/2009
- Re: [abinit-forum] Defect Level using GW Method, ren, 06/01/2009