[Pw_forum] about the number of Projectors in uspp

[Wei Zhou]

thank  your for you reply in detais , best wishes

2008/10/4 Lorenzo Paulatto <paulatto at sissa.it>

> Wei Zhou ha scritto:
> > dear all users
> >               I feel puzzled about the number of Projectors in uspp ,
> how this value is determine.
>
> Dear Wei Zhou,
> the number of projectors is chosen arbitrarily by the psudopotential
> author in order to trade off accuracy and efficiency. Usually you take two
> projectors per each ultrasoft wavefunction and only one for
> norm-conserving ones (they can coexist in the same pseudo).
>
> More projectors are added only in some specific cases, as far as I know
> for reproducing more accurately high-energy (normally empty) bands.
>
> regards
>
> --
> Lorenzo Paulatto
> SISSA  &  DEMOCRITOS (Trieste)
> phone: +39 040 3787 511
> skype: paulatz
> www:   http://people.sissa.it/~paulatto/<http://people.sissa.it/%7Epaulatto/>
>
>
>
>
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-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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