[Pw_forum] electron_phonon="interpolated" with trans=.false. fails

Alaska Subedi asubedi at gmail.com
Fri Jun 22 03:03:11 CEST 2012


Dear Matteo,

Thanks for pointing out that this feature exists again in the new
version. The 'simple' calculation is very convenient. The same bug
also infected the 'simple' calculations, which seems to have been
fixed in the svn version.

Best,
Alaska

On Mon, Jun 18, 2012 at 9:56 AM, Matteo Calandra
<matteo.calandra at impmc.jussieu.fr> wrote:
> Dear Alaska,
>
>   if you want to calculate the electron-phonon coupling at a given
> q-point you can use the option 'simple' and this is the old calculation
> without linear interpolation over q-points. In the case 'simple',
> everything work by specifying nk1, nk2, nk3 in the phonon run with
> trans=.false. .
> In the case you want to carry out the linear interpolation in
> arXiv:cond-mat/0504077
> the situation is different and I cannot help you too much as I did not
> work on this part of the routine.
>
> All the best,
>
> Matteo.
>



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