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
