[QE-developers] Finding all symmetry operations correctly
Lorenzo Paulatto
paulatz at gmail.com
Fri May 22 17:47:10 CEST 2020
> I think the problem occurs because QE treats each type of atom (ntyp)
> differently even though they are actually same species.
Hello Minkyu, QE always consider all atoms of the same species
equivalent, unless you tell it explicitly not to. I think you should
provide a reproducible example if you think there is a real bug. You can
do it here, or on the gitlab bug tracker.
regards
--
Lorenzo Paulatto - Paris
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