On Fri, Nov 6, 2020 at 11:14 PM Ashis Kundu wrote:
Why is there a mismatch between k-points from SCF and q-point from
> system.dyn0 (phonon calculation)?
> [...] Ideally they should be the same
>
they are the same, but the algorithms for generation and selection of the
irreducible sector are di
Dear all,
Why is there a mismatch between k-points from SCF and q-point from
system.dyn0 (phonon calculation)?
I have tried many systems before and never face this problem. Ideally they
should be the same. Please let me know if I am doing something wrong.
The k-points generated from SCF
num
