[CP2K:1429] Copper pseudopotential

[Laino Teodoro]

Ciao Francesco,

have a look at the page of Paolo Giannozzi:

http://www.fisica.uniud.it/~giannozz/software.html

you will find  a fully detailed explanation on how to do pseudo- 
potentials.
Anyway... there are few for coppers (of course I would test them  
carefully before
using for production) in tests/QS/POTENTIAL.


Teo

On 10 Oct 2008, at 10:15, 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
> >