Pseudo Potential

[Axel]

On Jul 14, 5:09 am, obo <bo... at matcalc.de> wrote:
> Dear cp2k users,
> i'm new in cp2k and i want to make some calculations with hybrid
> functionals. But I haven't  found a pseudo potential in the  POTENTIAL
> file for B3LYP or pbe0. Can I use another potential and what is the
> best choice?

to the best of my knowledge, there is currently no atomic code
that can generate those kind of potentials. people stick to the
potentials for the underlying non-hybrid functional, i.e. BLYP
and PBE.

cheers,
   axel.

> thanks
> Oliver
>
> www.matcalc.de