[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
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> >
> 
> __________________________________
> Do you Yahoo!?
> Yahoo! Small Business - Try our new resources site!
> http://smallbusiness.yahoo.com/resources/
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
    
    
More information about the users
mailing list