[Pw_forum] weights of tetrahedrons

Mitsuaki Kawamura mkawamura at issp.u-tokyo.ac.jp
Mon Aug 21 16:59:04 CEST 2017

Dear Ryky


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 Nelson
Institut für Anorganische Chemie
RWTH Aachen University

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