[Pw_forum] semicore

lan haiping lanhaiping at gmail.com
Wed Jul 15 14:15:28 CEST 2009


I once learned that Sax package only support NCPP  right now .  But I donot
know whether this situation has changed or not .


Regards,
Hai-Ping



On Wed, Jul 15, 2009 at 6:37 PM, Lorenzo Paulatto <paulatto at sissa.it> wrote:

> In data 15 luglio 2009 alle ore 11:56:58, ali kazempour
> <kazempoor2000 at yahoo.com> ha scritto:
> > I want normconserving pseudopotential for Zn, Ti, (including semicore)
> > and O , since i want to perform GW approximation by sax code that need
> > norm conserving pseudopotentials? in FHI format or espresso ?
> > thanks a lot
>
> I don't know anything about SaX, from what I can see in the documentation
> it supports (at least) UPF pseudopotential, athough only version 1.
>
> best regards
>
>
> --
> Lorenzo Paulatto
> SISSA  &  DEMOCRITOS (Trieste)
> phone: +39 040 3787 511
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>
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-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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