[Pw_forum] electron phonon coupling in semiconductors

Paolo Giannozzi giannozz at democritos.it
Mon Sep 10 22:07:14 CEST 2012

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

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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