[Pw_forum] PAW pseudopotential

kazempoor at ph.iut.ac.ir kazempoor at ph.iut.ac.ir
Thu Apr 29 13:25:25 CEST 2010


Dear Lorenzo

Thanks for the input file.I am testing and will inform you .Is it possible to make and use norm-conserving PAW pseudopotential? I ask this since I need NCPP to do GW calculation.
Thanks

Ali Kazempour
Physics Department, Isfahn University of Technology

----- Original Message -----
From: "Lorenzo Paulatto" <paulatto at sissa.it>
To: "PWSCF Forum" <pw_forum at pwscf.org>
Sent: Wednesday, April 28, 2010 11:53:16 AM
Subject: Re: [Pw_forum] PAW pseudopotential

On Wed, 28 Apr 2010 07:22:02 +0200, <kazempoor at ph.iut.ac.ir> wrote:
> Is it possible to do  calculation with PAW pseudopotential by espresso ?

yes

> Is it possible to get PAW pseudopotentail for other code and change  
> their format to espresso?

no that I know


-- 
Lorenzo Paulatto

*** Note: my affiliation has changed! please send future
correspondence to: <Lorenzo.Paulatto at impmc.upmc.fr> ***

post-doc @ IMPMC/UPMC - Université Paris 6
phone: +33 (0)1 44 27 74 89
www:   http://www-int.impmc.upmc.fr/~paulatto/

previously:
phd student @ SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
www:   http://people.sissa.it/~paulatto/
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