[Pw_forum] Ultrasoft or Norm conserinvg PP for Ce

[stefano fabris]

Dear Mostafa,

you may have a look at the one in attachment (PBE) and decide whether it is reasonably performing for your system. We have used it for Ce oxides obtaining results for structural properties, relative energetics and dynamics that are in line with the current literature, comparable to those obtained with pseudo potentials available in other packages (i.e. VASP, CP2K, …). As you certainly know, Ce-based systems may be tricky ...

All the best,
	Stefano

On 08 Mar 2016, at 08:39, Mostafa Youssef <myoussef at mit.edu> wrote:

> Dear all,
> 
> 
> I wonder if there is a reasonably performing Ce PP,  US or NC , with 12 valence electrons and  non-linear core correction. 
> 
> 
> Thank you,
> Mostafa 
> MIT
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Stefano Fabris

CNR-IOM DEMOCRITOS
Istituto Officina dei Materiali
Consiglio Nazionale delle Ricerche 
www.democritos.it

Phone: +39 040 3787 872 
E-mail: fabris at democritos.it  
Web: www.democritos.it/~fabris
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