hybrid functional and symmetry with k-point

wei... at gmail.com wei... at gmail.com
Fri Jul 14 04:32:25 CEST 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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170713/d6d15279/attachment.html>


More information about the CP2K-user mailing list