[CP2K:1380] k-point sampling in CP2K
Juerg Hutter
hut... at pci.uzh.ch
Wed Oct 1 16:27:49 UTC 2008
Hi
there is no k-point sampling available in CP2K.
regards
Juerg
----------------------------------------------------------
Juerg Hutter Phone : ++41 44 635 4491
Physical Chemistry Institute FAX : ++41 44 635 6838
University of Zurich E-mail: hut... at pci.uzh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
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On Wed, 1 Oct 2008, spak wrote:
>
> Hi everybody,
>
> I'm beginner to CP2K, so I have a very basic question. I'd like to
> know if any method of k-sampling (e.g. Monkhorst-Pack) other than the
> gamma-sampling has been already implemented in the code? If yes, which
> keywords should be added to the CP2K's input file?
>
> Thanks
> Spak
> >
>
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