[Pw_forum] B3LYP - (k+q) points

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Mon Jul 31 10:54:34 CEST 2017


>I would like to understand from where does the number come? As far as I

understood, (k+q ) points are in the set of k points, why I have more?


They are in the set of k points, *before* symmetry is used to reduce them.


What can I do to reduce the cpu time?


Try
  use_ace=.true.
Although, it is the default in the current development  version, it was
already working in 6.1
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