Dear Mitsuaki, thank you very much for your response.
Ryky On Mon, Aug 21, 2017 at 4:59 PM, Mitsuaki Kawamura < [email protected]> 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 : [email protected] > ------------------------------------------------------ > > From: [email protected] [mailto:[email protected]] On > Behalf Of Ryky Nelson > Sent: Monday, August 21, 2017 11:30 PM > To: PWSCF Forum <[email protected]> > 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 > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum
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