[Pw_forum] Molybdenum pseudopotentials

[Gabriele Sclauzero]

Dear Isaac (from??? please provide your affiliation, thanks)

    there is a PW91 Mo PP in the QE website. I think you could try to generate a PBE 
version starting from the same cut-off radii. To my knowledge, PW91 and PBE are not much 
different, so I guess that starting from the PW91 parameters to generate a PBE could  work.

Gabriele

isaac motochi wrote:
> Dear friends,
> 
> Please can anyone sent me PBE pseudopotentials for molybdenum.
> 
> Regards
> 
> Isaac
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