[Pw_forum] Is it possible to calculate the phonon dos for each branch?
amit99266 at rediffmail.com
Tue Jun 1 05:59:49 CEST 2010
Dear Prof. Eyvaz
Could you please upload/email the revised version of QHA?
On Mon, 31 May 2010 21:38:12 +0530 wrote
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.
--- 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
> Paolo Giannozzi, Democritos and University of Udine, Italy
> Pw_forum mailing list
> Pw_forum at pwscf.org
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