[Pw_forum] Abinit Pseudopotentials

Eyvaz Isaev eyvaz_isaev at yahoo.com
Thu Mar 31 11:21:53 CEST 2005


In order to convert FHI PsP from ABINIT you have to
remove the first 7 lines. Sure, you will be aware of
some information used for PsP generation:
exchange-correlation functional, lloc and atomic


--- Nitya Nath <nitya at iitk.ac.in> wrote:
> Dear PwScf Users,
> I want to use Ab-init pseudo-potential files for
> PwScf. I am unable to 
> change the abinit pseudo-potentials for PWSCF by
> fhi2upf.x utility.
> I want Mn, Oxygen, Li  GGA-pseudo-potentials.
> thanks.
> With Regards.
> Nitya
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