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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