[Pw_forum] Is it possible to calculate the phonon dos for each branch?
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Mon May 31 18:13:48 CEST 2010
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
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