[QE-users] K points in QE-6.4.1

[Paolo Giannozzi]

Please have a look at this issue: https://gitlab.com/QEF/q-e/issues/2

Paolo

On Fri, Oct 18, 2019 at 5:35 AM Sayan Banerjee <sayanban at sas.upenn.edu>
wrote:

> Dear users,
>
> Currently I'm facing a strange number of k point generation problem in
> QE-6.4.1. When I'm using a K-point grids of 3 x 5 x 1, it's generating 34 k
> points whereas other combinations work fine. Please see below:
>
> K_POINTS automatic
> 5 5 1 0 0 0                                     number of k points: 13
>
>
> 4 4 1 0 0 0                                    number of k points: 10
>
>
> 3 5 1 0 0 0                                    number of k points: 34
>
> My cell parameters are-
> CELL_PARAMETERS angstrom
>         5.8236050606         0.0000000000         0.0000000000
>        -2.9118025303         5.0433899241         0.0000000000
>         0.0000000000         0.0000000000        34.8862200000
> Thanks in advance. I look forward to hearing from you.
>
> Regards,
> Sayan
> --
> *Sayan Banerjee*
> Graduate Student
> Department of Chemistry *|* University of Pennsylvania,
> Philadelphia, PA 19104-6323
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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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