[CP2K:7217] k-point sampling for hybrid DFT functional

[jiabo]

Hi Juerg

Is the k-point sampling already implemented in CP2K for standard DFT 
calculation with PBE functional?

Best regards,
Jiabo

On Monday, 7 December 2015 08:00:53 UTC, jgh wrote:
>
> Hi 
>
> k-point sampling is not available for hybrid functionals. 
>
> 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 
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> Winterthurerstrasse 190 
> CH-8057 Zürich, Switzerland 
> --------------------------------------------------------------- 
>
> -----cp... at googlegroups.com <javascript:> wrote: -----To: cp2k <
> cp... at googlegroups.com <javascript:>> 
> From: NUCP2K 
> Sent by: cp... at googlegroups.com <javascript:> 
> Date: 12/04/2015 03:56PM 
> Subject: [CP2K:7217] k-point sampling for hybrid DFT functional 
>
> Dear CP2K team, 
>
>   I am wondering if the k-point sampling has been implemented in CP2K for 
> hybrid DFT functionals, such as PBE0 and B3LYP? 
>
>   Thanks. 
>
> Hanning 
>
>
>
>
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