forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] a question about temperature dependence in phonon calculation for metals

From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] a question about temperature dependence in phonon calculation for metals
Date: Tue, 16 Oct 2007 11:40:02 +0200
Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=beta; h=received:message-id:date:from:to:subject:in-reply-to:mime-version:content-type:content-transfer-encoding:content-disposition:references; b=d4FCnjFAoYrshqUGZ4yFUQEKJkQoINOYPIQGfRqbPgieTVe/BriveyqgKHTx+dktqcXOkCyKEMhM7iou3dCnuN5uxhdScHmJ+29+/sDRFALQd/4mQvsnjRiutYqODiwn/scZF+ZA9pJx8jBTE90oiAmHRcse1y9ij3JTaj2QEjI=

Yes it can. For instance have a look at PRL 96 055503 (2006) for an
example of such calculations.

Best,

PMA

On 10/16/07, xd0533@163.com <xd0533@163.com> wrote:
> hi, my question is as follows: when we calculate the phonon dispersion
> curves for metals, we can input different value of pressure in abinit,
> since different pressure means different dispersion curves,right? i wonder
> whether the abinit software packet gets the ability to allow me to input
> temperature of the metal when i doing this kind of phonon calculation. i
> mean, can temperature be a parameter as the pressure do in the abinit?
> longing for the reply!
> sincerely
> xd
>
>
>

--
Pierre-Matthieu Anglade

a question about temperature dependence in phonon calculation for metals, xd0533, 10/16/2007
- Re: [abinit-forum] a question about temperature dependence in phonon calculation for metals, Anglade Pierre-Matthieu, 10/16/2007
  - Re: [abinit-forum] a question about temperature dependence in phonon calculation for metals, Xavier Gonze, 10/16/2007