ando also (forgive my ignorance): what's the use of "branch resolved phonon DOS"'s? Stefano B
On May 31, 2010, at 6:13 PM, Eyvaz Isaev wrote: > 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 >> > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100601/2560a3b7/attachment-0001.htm
