[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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