[Pw_forum] weights of tetrahedrons

[Ryky Nelson]

Dear Mitsuaki,

thank you very much for your response.

Ryky

On Mon, Aug 21, 2017 at 4:59 PM, Mitsuaki Kawamura <
mkawamura at issp.u-tokyo.ac.jp> wrote:

> Dear Ryky
>
> Hello,
>
> You are right. The weight of each tetrahedra is just
> 1/number_of_tetrahedrons = 1/(6*nk1*nk2*nk3).
>
> Best regards,
> Mitsuaki Kawamura
>
> --
> ------------------------------------------------------
> Dr. Mitsuaki Kawamura
> Software Advancement Team
> Supercomputer Section
> Materials Design and Characterization Laboratory The Institute for Solid
> State Physics, Kashiwa, Japan e-mail : mkawamura at issp.u-tokyo.ac.jp
> ------------------------------------------------------
>
> From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
> Behalf Of Ryky Nelson
> Sent: Monday, August 21, 2017 11:30 PM
> To: PWSCF Forum <pw_forum at pwscf.org>
> Subject: [Pw_forum] weights of tetrahedrons
>
> Hi all,
> when we set occupations = 'tetrahedra' in our input file for pw.x, we will
> get the list of tetrahedrons in data-file.xml, but the problem is that I
> don't see the weights for them. So my question would be: what is the weight
> for each of these tetrahedron? Is it just 1/number_of_tetrahedrons?
> Thank you in advance!
> Ryky
>
>
> --------------------------------------------
> Ryky Nelson
> Institut für Anorganische Chemie
> RWTH Aachen University
>
>
>
>
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