[Pw_forum] Ultrasoft Pseudopotential of Eu
Vo, Trinh (388C)
Trinh.Vo at jpl.nasa.gov
Wed Apr 27 20:48:29 CEST 2011
I am working on generating pseudo potentials for a few elements of
Lanthanides too, but so far I am not successful yet (it is still bad). I
appreciate if you could share with me your parameter input.
Thank you very much in advance,
On 4/27/11 10:30 AM, "Nicola Marzari" <nicola.marzari at materials.ox.ac.uk>
> 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).
More information about the users