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

[Giovanni Cantele]

It would be great to help you, provided:

i) you give evidence that help is needed on how pw.x works. In the specific case you gave
no information (just “took much time” is nothing), it could be due to software/hardware/installation problems

ii) you provide your affiliation

iii) you DO NOT reply to previous posts, whose subject becomes completely misleading

Giovanni



> On 13 Nov 2014, at 12:35, Mona Asadi <sarina7192 at yahoo.com> wrote:
> 
> Hey guys ,
> Im new to QE , so I hope u can help me with running a programme 
> I've tried this : pw.x input.in > < output.out >
> But it took much time
> plz help me
> 
> 
> On Thursday, November 13, 2014 2:39 PM, Davide Ceresoli <davide.ceresoli at istm.cnr.it> wrote:
> 
> 
> I've sent and uploaded couple of Mn pseudos with GIPAW
> reconstruction. Please test!
> 
> Davide
> 
> On 11/12/2014 10:50 PM, Paolo Giannozzi wrote:
> > 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 <mailto: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
> >>
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-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele

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