[CP2K:1429] Copper pseudopotential

Juerg Hutter hut... at pci.uzh.ch
Fri Oct 10 08:22:36 UTC 2008


Hi

check the CVS entry for pseudopotentials on the
CP2K webpage. Copper pseudos for PBE and BLYP
are 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
----------------------------------------------------------


On Fri, 10 Oct 2008, Francesco wrote:

>
> Hi to all,
> I am studying a system with copper, and I'm searching for a
> pseudopotential
> apart of PADE (i.e. BLYP or PBE). Has anyone done it or, there's a
> recipe to try to make
> it  myself ?
>
> Thanks in advance,
> Francesco
> >
>



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