[QE-users] on k-point mesh

[Marcelo Falcão de Oliveira]

Dear Mahmoud,

   Use this command:

    K_POINT (automatic)
    nk1 nk2 nk3 sk1 sk2 sk3

   From pw.x manual:

automatic :

automatically generated uniform grid of k-points, i.e,
generates ( nk1, nk2, nk3 ) grid with ( sk1, sk2, sk3 ) offset.






For further details see:
https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm1487





Best regards,


Em qua., 14 de dez. de 2022 às 13:43, Mahmoud Payami Shabestari via users <
users at lists.quantum-espresso.org> escreveu:

> Hi All.
> I wonder if there is an option to specify the k-point mesh in BZ in the
> form of uniform k-point density.
> Any comments is highly appreciated.
>
> Bests,
>
> Mahmoud Payami
> NSTRI, AEOI, Tehran, Iran
> Email: mpayami at aeoi.org.ir
> Phone: +98 (0)21 82066504
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-- 
Marcelo Falcão de Oliveira
Professor Associado
Departamento de Engenharia de Materiais
EESC - USP
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