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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