[Pw_forum] Praseodymium Pseudopotential(s)

Stefano de Gironcoli degironc at sissa.it
Fri Aug 27 16:58:15 CEST 2010

Dear Paul,
   I inquired Paolo Giannozzi and he said that, in view of the very few 
contributions we add so far, there isn't a working web procedure where 
to upload pseudopotentials automatically.
   If you send me the Cu pseudo you have generated (including any info 
that you think can be useful to post under "details") we will upload it 
on the web site

    thank you,

w2agz wrote:
> You mentioned "...posting pseudos on the web"...is it possible for QE users 
> to submit PPs they've found handy to the QE Wiki?  I constructed a PP 
> favoring the Cu 3d9 4s2 configuration which I found very useful for 
> calculating ground state antiferromagnetic properties of CuO, both as 
> tenorite and tetragonal rocksalt.  I generated it using the QE PP code, and 
> could make it available (no guarantees, of course!).
> -Paul

More information about the users mailing list