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Re: [abinit-forum] Parity of states


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  • From: matthieu verstraete <matthieu.jean.verstraete@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Parity of states
  • Date: Fri, 17 Apr 2009 01:32:38 +0200
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No - for the moment all you have is visual inspection or group
analysis by hand (once your wavefunction has been processed with
cut3d, doing a section perpendicular to the axis you are interested
in, or with xcrysden or opendx). Several people have talked about
doing the automatic character analysis of states based on the symmetry
operations, but nothing has materialized yet. Sorry.

Matthieu

On Thu, Apr 16, 2009 at 3:46 PM, <rolando.saniz@ua.ac.be> wrote:
> Dear all,
>
> I'm interesting in knowing the parity of some states on a given band. Is
> there
> a way to get Abinit to give you this information? I looked in the archive
> for
> 'state parity', to see if his point was discussed before, but it seems that
> it
> wasn't. I'd be grateful for any suggestions on this.
>
> Best regards,
> Rolando Saniz
>



--
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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




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