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- From: verstraete@pcpm.ucl.ac.be
- To: "Forum (E-mail)" <forum@abinit.org>
- Subject: Re: [abinit-forum] Where can I find the kptgen utility?
- Date: Mon, 31 Mar 2003 13:13:02 +0200 (CEST)
Just run the regular abinit with prtvol -1. It will print out your kpoints
and weights, and you can reuse them. Ideally, someone should update the
kpoint generation in anaddb (volunteers?) and make band structures easier
to generate, as in abinit.
Matthieu
On Mon, 31 Mar 2003, Ramirez-Cuesta, AJ (Timmy) wrote:
> Hi Guys,
> I have been trying to get the kptgen utility, but it is no longer a link on
> your website. I want to generate a grid of kpoints with their weights in the
> BZ for sampling the phonons.
> Any suggestions?
>
>
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> Dr. Anibal Javier Ramirez-Cuesta
> ISIS Facility
> Rutherford Appleton Laboratory
> Building R3, Room 1-42
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> email: a.j.ramirez-cuesta@rl.ac.uk
>
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>
>
--
===================================================================
Matthieu Verstraete mailto:verstraete@pcpm.ucl.ac.be
PCPM, Boltzmann, pl. Croix du Sud, 1 tel: 010/ 47 86 81
B-1348 Louvain-la-Neuve Belgium fax: 010/ 47 34 52
- Where can I find the kptgen utility?, Ramirez-Cuesta, AJ (Timmy) , 03/31/2003
- Re: [abinit-forum] Where can I find the kptgen utility?, verstraete, 03/31/2003
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