[CP2K:1382] Re: k-point sampling in CP2K

[Juerg Hutter]

Hi

If you plan to go to very large super cells (for imputities
or surfaces) CP2K might still be an option. However, if
your problem can also be studied with smaller cells and
proper k-point sampling there are certainly more adequate
codes available.

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:

>
> Dear Teo,
>
> Thanks. So this means that, CP2K may not be a good choice for metallic
> systems with periodic conditions!?
>
> Spak
> >
>