[QE-users] list of tetrahedrons in QE6.3

Paolo Giannozzi p.giannozzi at gmail.com
Wed Apr 15 10:10:32 CEST 2020


There is no list of tetrahedra in the new xml file because that list can be
easily reconstructed if needed.

Paolo

On Wed, Apr 15, 2020 at 9:42 AM Ryky Nelson <nelson.ryky at gmail.com> wrote:

> Hi all,
>
> I've been using QE.6.3 for quite awhile now, but I just noticed that I
> can't find the list of the tetrahedrons in data-file-schema.xml. I can get
> the list through QE.5 in data-file.xml. Is this list moved to some other
> file in QE 6.3 or we need an additional keyword to instruct pw.x to output
> this tetrahedron list?
>
> Thank you!
>
> Ryky Nelson
>
> --
> Ryky nelson, Ph.D.
> Institute of Inorganic Chemistry
> RWTH Aachen University
> D-52056 Aachen, Germany
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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