[Pw_forum] pseudopotential

Giovanni Cantele Giovanni.Cantele at na.infn.it
Wed Mar 2 15:08:46 CET 2005

Aritz Leonardo wrote:

> Hello:
> Does anybody know if the pseudopotential (Mg.pz-n-vbc.UPF) is Ultrasoft?
> thanks
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If you go inside the file 
you find in the header:

   NC                  Norm - Conserving pseudopotential

So, it isn't an ultrasoft pseudopotential.

Instead this line, for ultrasoft pseudo (see, for example http://www.pwscf.org/pseudo/1.3/UPF/Mg.pw91-np-van.UPF) is
   US                  Ultrasoft pseudopotential



Dr. Giovanni Cantele
INFM-Coherentia and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. G
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Fax:   +39 081 676346
E-mail: Giovanni.Cantele at na.infn.it
Web: http://people.na.infn.it/~cantele

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