Hi Paolo, Sorry for the confusing note I have written. You are right, now QHA in QE v.4.2. In fact, I was talking about the possibility for branch-resolved phonon DOS, that is not included in the current version of QHA. But you know I am going top upgrade it (QHA), so i will include it, too. One reason for not including of this option was that I had no data (and do not have) to compare.
Bests, Eyvaz. --- On Mon, 5/31/10, Paolo Giannozzi <giannozz at democritos.it> wrote: > From: Paolo Giannozzi <giannozz at democritos.it> > Subject: Re: [Pw_forum] Is it possible to calculate the phonon dos for each > branch? > To: "PWSCF Forum" <pw_forum at pwscf.org> > Date: Monday, May 31, 2010, 6:26 PM > Eyvaz Isaev wrote: > > > No. But, in fact, it can be done using QHA, though it > is not included > > in its current version. > > v.4.2 of QE includes QHA, as far as I know > > P. > -- > Paolo Giannozzi, Democritos and University of Udine, Italy > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
