[QE-users] K points in QE-6.4.1

[Sayan Banerjee]

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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