[Pw_forum] consistent Fe,Se,Te pseudopotential files

[Gianluca Giovannetti]

Dear Paolo,

thank you for the reply.
Probably i`m missing something in your statement. :-)
Are you suggesting to use

Fe.pbe-sp-van.UPF<http://www.quantum-espresso.org/pseudo/1.3/UPF/Fe.pbe-sp-van.UPF>
 <http://www.quantum-espresso.org/pseudo/1.3/UPF/Te.pbe-rrkj.UPF>
Te.pbe-rrkj.UPF<http://www.quantum-espresso.org/pseudo/1.3/UPF/Te.pbe-rrkj.UPF>
Se.pbe-van.UPF<http://www.quantum-espresso.org/pseudo/1.3/UPF/Se.pbe-van.UPF>

pseudopotential files evenif there are belonging to different types?

cheers,

Gianluca

On Mon, Jun 21, 2010 at 9:59 AM, Paolo Giannozzi <giannozz at democritos.it>wrote:

> On Monday 21 June 2010 08:04, Gianluca Giovannetti wrote:
>
> > i would appreciate much more to have Te Vanderbilt ultrasoft
> > pseudopotential.
>
> why? the big advantage of ultrasoft PPs is to require a much
> smaller cutoff. In the case of Fe-Te-Se systems, Fe is by far
> the hardest element. The cutoff needed for ultrasoft Fe might
> well be sufficient for norm-conserving Te (and Se as well).
>
> P.
> --
> Paolo Giannozzi, Democritos and Udine University
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