[Pw_forum] Molybdenum pseudopotentials

[isaac motochi]

Thanks Gabriele, I ll try the pp and keep you informed.

Cheers,

Motochi Isaac
Moi University, Kenya

On 5/26/09, Gabriele Sclauzero <sclauzer at sissa.it> wrote:
> 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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>
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>
>
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> | Gabriele Sclauzero, PhD Student                  |
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