[Pw_forum] Is it possible to calculate the phonon dos for each branch?

[Stefano Baroni]

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
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> 
> 
> 
> 
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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