[QE-users] Problem with generating q-points for lambda

Paolo Giannozzi p.giannozzi at gmail.com
Fri Feb 22 12:04:19 CET 2019


On Tue, Feb 19, 2019 at 5:52 PM Arena Konta <qe6user at gmail.com> wrote:

(1) why the q-points are not the same (at least in the same order?
>

the algorithm is not exactly the same, but k-points are "the same" (i.e.
equivalent sets)

Paool

(2) how to guess weight of q-points from the output ph.x ?
>
>  Thank you for any help
>
>
> --
> with regards
>
> Arena Konta
> The Institute of Thermophysics in Novosibirsk Scientific Center
>
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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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