On Jan 29, 2012, at 7:30 , Ajit Vallabhaneni wrote: > I mean will calculating those quantities across the IBZ sufficient > to obtain the values thru out the entire BZ?
I don't think so: at a given q, you can sum over the IBZ of the small group of q and symmetrize with the small group of q, or else, if you sum over the IBZ of the symmetry group, you will need the unsymmetrized quantity for all q vectors in the star of q. > 2. In the tutorial on for calculating the "Electron-phonon > interaction coefficients" > on the website of QE (http://www.fisica.uniud.it/~giannozz/QE- > Tutorial/tutorial_advph.html) it is not "the website of QE": it is my website, where I keep a copy of some files often used in tutorials. Unfortunately that part is obsolete. You should look at the example 07. 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
