[Pw_forum] Ultrasoft Pseudopotential of Eu

[Nicola Marzari]

On 4/27/11 5:45 PM, hanghui chen wrote:
> Dear PWscf community,
>       I am wondering if any one has succeeded in generating the
> ultrasoft pseudopotential of Eu, using uspp-736. Now in the literature,
> for most of the work that involves Eu, the calculation is done with VASP
> where the pseudopotential is provided in its own library.
>       Thank you very much indeed.
>
> Hanghui Chen
> Department of Physics,
> Yale University


Dear Hanghui,

we have a test one normconserving, with f electrons in the valence, and
an ultrasoft one, with f electrons in the core. This is part of a 
project developing and testing lanthanides pseudos, to be released later
on, but if you want to give them a try, I can send them to you (would
be great to have some test feedback).

			nicola


-- 
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Prof Nicola Marzari    Department of Materials    University of Oxford
Chair of Materials Modelling  Director, Materials Modelling Laboratory
nicola.marzari at materials.ox.ac.uk     http://mml.materials.ox.ac.uk/NM