[Pw_forum] PAW or USPP

[Nicola Marzari]

Dear Suza,

out of curiosity, why do you need 20? (i.e., I presume, also the 10 d 
electrons?).

Note that, btw, it's very difficult to get good norm-conserving 
pseudopotentials that can work well for the same angular momentum
but different principal numbers (e.g. for 5s and 6s).

				nicola


On 23/04/2013 10:36, Suza W wrote:
>   Hi Robert Hembree,
>
>   Thank you very much for your kind reply.
>   Unfortunately, none of the pseudopotentials that you mentioned will
> meet my need.
>   I need a pseudopotential file with Z-valence 20 when the files you
> mentioned do have only 10 electrons in valence.
>   Probably, someone from the group (PSLibrary) of Andrea Dal Corso can
> help me out. I would prefer PAW or USPP but if anyone
>   of you has NORM-CONSERVING one, kindly do share.
>
>   Ciao,
>   Suza
-- 

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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL