[CP2K:9218] hybrid functional and symmetry with k-point

[wei... at gmail.com]

Thank you for the kind reply, Professor Hutter.
Wei

On Friday, July 14, 2017 at 2:55:48 AM UTC-4, jgh wrote:
>
> Hi 
>
> both of these options are still not implemented in CP2K. 
> Symmetry reduction of k-points might be available soon. 
> HFX for k-point is planned but nobody is working on it right now. 
>
> regards 
>
> Juerg 
> -------------------------------------------------------------- 
> Juerg Hutter                         Phone : ++41 44 635 4491 
> Institut für Chemie C                FAX   : ++41 44 635 6838 
> Universität Zürich                   E-mail: hut... at chem.uzh.ch 
> <javascript:> 
> Winterthurerstrasse 190 
> CH-8057 Zürich, Switzerland 
> --------------------------------------------------------------- 
>
> -----cp... at googlegroups.com <javascript:> wrote: -----To: cp2k <
> cp... at googlegroups.com <javascript:>> 
> From: wei... at gmail.com <javascript:> 
> Sent by: cp... at googlegroups.com <javascript:> 
> Date: 07/14/2017 04:32AM 
> Subject: [CP2K:9218] hybrid functional and symmetry with k-point 
>
> 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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