[Pw_forum] electron-phonon and ultrasoft pseudopotentials

Eyvaz Isaev eyvaz_isaev at yahoo.com
Thu Apr 14 19:14:24 CEST 2005


Fortunately, you looked at an obsolet page. Please
have a look at 

http://www.pwscf.org/about.htm

where you can find "...with very few exceptions - for
Ultrasoft (Vanderbilt) pseudopotentials".

So, no doubts, it works.

Good luck,
Eyvaz.

> 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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