hmmmhh! On Jun 1, 2010, at 1:13 PM, Yamit wrote:
> "branch resolved phonon DOS" can help to study the contribution of particular > mode to (phonon derived) materials properties (e.g. vibration energy, > internal energy, etc. ). > Regards, > Amit N. Harode > > On Tue, 01 Jun 2010 11:36:58 +0530 wrote > >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 wrote: > > From: Paolo Giannozzi > Subject: Re: [Pw_forum] Is it possible to calculate the phonon dos for each > branch? > To: "PWSCF Forum" > 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 - > Triestehttp://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'tsend me MS Word or PowerPoint attachmentsWhy? > See:http://www.gnu.org/philosophy/no-word-attachments.html > > > > _______________________________________________ > > 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/d7bb9592/attachment.htm
