[Pw_forum] electron-phonon coupling and pseudopotential choice
Stefano de Gironcoli
degironc at sissa.it
Wed Jun 30 14:17:15 CEST 2010
example07 is meant to show the procedure to compute el-ph coupling NOT
to represent a converged calculation of it.
Have you checked convergence of your calculation w.r.t . cutoff,
k-points and so on.
Have you calculate consistently the lattice parameter of your system ?
stefano
Oleg Sergeev wrote:
> Dear all,
>
> calculating the electron-phonon coupling factor (lambda) for Aluminum i obtained that it depends very strongly on the PP i use.
> Trying different PPs from the QE package i got lambda values from 0 to 4.5 when the known value is about 0.4. To calculate
> lambda i just performed example07 with different pseudopotentials. What did i do wrong?
>
> Oleg Sergeev,
> JIHT RAS, Moscow.
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
More information about the users
mailing list