[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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