hybrid functional and symmetry with k-point
wei... at gmail.com
wei... at gmail.com
Fri Jul 14 02:32:25 UTC 2017
Dear CP2K developers,
May I ask if doing hybrid functional calculations with k-point has been
implemented in the latest trunk of CP2K?
There was a post in this forum in 2015 asking this question
(https://groups.google.com/forum/#!topic/cp2k/2XxNUt8tML8) and Professor
Hutter answer at that time it was not yet implemented. How about now?
Also, according to this FAQ item https://www.cp2k.org/faq:kpoints,
reduction of k-points using symmetry is not supported. Is there any
development on that planned?
Thanks,
Wei
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