[Pw_forum] Aluminium EPC at X

Nicola Marzari marzari at MIT.EDU
Sun Mar 25 20:08:57 CEST 2007


Amit Kumar wrote:
> 
> 
>    Respected Users,
> 
>    I'm very much confused with the results of the electron-phonon 
> coupling of Aluminium
>    at X-point.  You can see a large discrepancy in the results of 
> Example  No. 7.


Hi Amit,

the example is not meant to represent a fully converged calculation -
it would take too long to run. It's really meant to give you a
framework to look for convergence yourself. This can be extremely
expensive, for electron-phonon coupling (see e.g. a discussion in the
recent Giustino PRL).


				nicola


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