[Pw_forum] PAW pseudopotentials in QE

Ngoc Linh Nguyen nnlinh at sissa.it
Tue May 18 18:17:07 CEST 2010


P.Canepa wrote:
> Dear all, 
>
> on the web-page of Quantum Espresso is claimed that PWscf can use projector augmented pseudo-potentials (PAW).  Is there any label which marks those at the http://www.quantum-espresso.org/pseudo.php .  For instance if I look at one common elements like  O  I cannot find any PAW pseudopotentials.
>   
I don't think you can find any PAW pseudo potentials in QE website, 
because they are in testing. You can create by yourself a PAW PP, see 
example in atomic_doc/paw_library/input
and check if it work or not. See in previous archivers of Pw_forum to 
find an example for Ti also.

Hope this help.

Linh


> Thanks, Piero
>
>
>   


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