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

[Paolo Giannozzi]

I hadn't noticed that you need GIPAW reconstruction info.
If so, you will need to generate one. Unfortunately Mn is
a tough guy. Good luck.

Paolo

On Wed, 2014-11-12 at 11:00 +0000, roberta pigliapochi wrote:
> 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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>         --
>          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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