[Pw_forum] Mn Norm-Conserving PP (PBE) with GIPAW

[roberta pigliapochi]

Dear Paolo,
Thank you very much for the quick reply and I'm sorry for being stubborn
but to me those two PPs don't seem to have the GIPAW reconstruction. Am I
talking nonsense?
Thank you again.
Roberta

Roberta Pigliapochi
PhD Student | Grey Research Group
University of Cambridge


On 12 November 2014 10:40, Paolo Giannozzi <paolo.giannozzi at uniud.it> wrote:

> There are two norm-conserving PBE PP for Mn in the web site.
> Presumably they will require one million (for the FHI one)
> or one billion (for the HGH one) Ry cutoff.
>
> Paolo
>
> On Wed, 2014-11-12 at 10:04 +0000, roberta pigliapochi wrote:
> > Dear All,
> >
> > deep apologies for the spam.
> >
> > I am calculating hyperfine and g- tensors of some paramagnetic solids
> > with qE 5.0.3 and I'd really appreciate some help.
> > Does anyone by any chance have a Norm-Conserving PseudoPotential
> > (possibly PBE) with the GIPAW reconstruction for Mn? I've been trying
> > to generate it by myself with poor results so far (hopefully I would
> > be taught at the qE winter school, this January!).
> >
> >
> > Thank you very much.
> >
> > Roberta Pigliapochi
> > PhD Student | Grey Research Group
> > University of Cambridge
> > _______________________________________________
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> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
> --
>  Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>  Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>  Phone +39-0432-558216, fax +39-0432-558222
>
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