[Pw_forum] electron phonon coupling in semiconductors

[Bo Qiu]

Dear Paolo,

Thanks a lot for the explanations! So can I say if I just
need Electon-phonon matrix elements (I'll modify code from there to compute
other quantities like electron linewidth), there should be no fundamental
difficulty for QE to compute them correctly for semiconductors? Thanks a
lot again!

Bo

On Mon, Sep 10, 2012 at 4:07 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On Sep 7, 2012, at 22:45 , Bo Qiu wrote:
>
> >  why QE cannot do el-ph for semiconductors?
>
> because - as explained too many times - QE calculates the
> "electron-phonon coupling coefficient \lambda", something
> that exists only in metals. Electon-phonon matrix elements
> are also calculated, but if you want to do something else
> than calculating \lambda with them, you have to modify the
> code
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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