[Pw_forum] Abinit Pseudopotentials
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.
> With Regards.
> Pw_forum mailing list
> Pw_forum at pwscf.org
Do you Yahoo!?
Yahoo! Small Business - Try our new resources site!
More information about the users