[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).


Prof Nicola Marzari   Department of Materials Science and Engineering
13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu

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