[Pw_forum] electron-phonon and ultrasoft pseudopotentials

matteo giantomassi gmatteo at gmail.com
Thu Apr 14 18:30:38 CEST 2005


On 4/14/05, Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote:
> Hi,
> 
> As far as  I know US PsPs are not implemented in Raman
> calculations. But for electron-phonon coupling
> it works fine.
> 
> Bests,
> Eyvaz.
> 

Hi,

I was doubtful because the pseudopotential page: http://www.pwscf.org/pseudo.htm
reports: "Note however that calculations of effective charges,
electron-phonon coefficients, third-order derivatives are not
implemented with US PPs."

Bests, 
Matteo
> --- matteo giantomassi <gmatteo at gmail.com> wrote:
> > Dear PWscf authors and users,
> >
> > I'm a new Pwscf user  and I would like to make a
> > calculation with
> > ultrasoft pseudopotentials.
> > What  calculations with US-PPs are not implemented
> > in PWscf-2.1.2:
> > for example, can I use ultrasoft-pseudopotentials to
> > calculate
> > the electron-phonon coefficients in metals?
> >
> > Best regards
> > Matteo
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> > Pw_forum at pwscf.org
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> >
> 
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