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Re: [abinit-forum] ngkpt?

From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] ngkpt?
Date: Wed, 5 Apr 2006 23:00:20 +0200
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It ought to be inversely proportional to your cell size: few k-points
along long directions and many along small directions. You may want to
get an optimal mesh using prtkpt?

On 4/5/06, yshtogun@cas.usf.edu <yshtogun@cas.usf.edu> wrote:
> Dear Abinit users!
>
> I am trying to calculate one dimensional system. I constructed a
> supercell with the 1d material in the middle of it. In this case, what is
> the appropriate k-points grid - is it 1X1Xn (n being an integer) or is it
> still a grid appropriate for a 3 dimensional system (nXnXn)?
>
> Thank you.
> Yaroslav!
>

--
Pierre-Matthieu Anglade

ngkpt?, yshtogun, 04/05/2006
- Re: [abinit-forum] ngkpt?, Anglade Pierre-Matthieu, 04/05/2006