The ABINIT Users Mailing List ( CLOSED )

[GaoTao <gaotaoscu@hotmail.com>]

Hi Joe,
 
Thank you very much. That's the answer for my problem.
 
Best,
 
Tao
 
> Date: Thu, 28 May 2009 13:35:30 -0300
> From: jzwanzig@gmail.com
> To: forum@abinit.org
> Subject: Re: [abinit-forum] Can I get the coordinates values of Monkhorst-Pack sampling mesh?
>
> I'm not sure exactly what you are asking for, but here goes...I would
> make a run with prtkpt = 1, to get output on a variety of kpt grids
> with kptrlen near what you want. Then, input the one you want (by use
> of kptrlatt) and run with prtkpt set back to its default of zero. In
> the output file, among many other things will be the set of actual
> k-points (look under "kpt") used in the calculation.
>
> Joe
>
> 2009/5/28 GaoTao <gaotaoscu@hotmail.com>:
> > Dear All,
> >
> > I want to get coordinates for my k-points in the sampling of Monkhorst-Pack
> > grid. Would you please tell me which command in ABINIT can control to output
> > ; all these sampling coordinates in BZ? Thanks in advance.
> >
> > Best,
> >
> > Tao
> >
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>
> --
> Josef W. Zwanziger
> Professor of Chemistry
> Canada Research Chair in NMR Studies of Materials
> Director, Nuclear Magnetic Resonance Research Resource (NMR-3)
> Dalhousie University
> Halifax, NS B3H 4J3 Canada
> tel: +1 (902) 494-1960
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> jzwanzig@gmail.com, jzwanzig@dal.ca
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