[Pw_forum] combine kjPAW with bPAW pseudopotential in one system

[Paolo Giannozzi]

On Fri, 2013-04-26 at 15:47 +0200, Thomas Gruber wrote:

> [I] want to know if I can combine Projector Augmented Wave 
> (Kresse-Joubert paper) (Mg.*_bpaw_*.UPF) with Projector Augmented 
> Wave (original Bloechl recipe)(Si.*_kjpaw_*.UPF) pseudopotentials

I think so. The simplest way to be sure is to try.

> Or does as (Mg.*_kjpaw_*.UPF) exist?

hard to say if it exists or not, but it isn't available 
from the PP page of the QE web site, so it is likely
nonexistent

> Tanks in advance.

You are welcome :-)

P.

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222 
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