[Pw_forum] Ultrasoft Pseudopotential of Eu

Nicola Marzari nicola.marzari at materials.ox.ac.uk
Wed Apr 27 19:30:58 CEST 2011

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).


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

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