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 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120911/92477ae3/attachment.htm
