[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.
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