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Re: [abinit-forum] temperature dependent density functional theory

From: Anglade Pierre-Matthieu <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] temperature dependent density functional theory
Date: Mon, 8 Jun 2009 07:58:36 +0200
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Hi,

Using non zero temperature for DFT is quite usual. You may want to
have a look at the variable "tphysel" and "tsmear" within Abinit and
start bibliographie with the reference given therein : Phys. Rev. B
65, 035111 (2001) by M. Verstraete and X. Gonze.

regards

PMA

On Fri, Jun 5, 2009 at 3:42 PM, <hongyi.zhao@gmail.com> wrote:
> Dear all,
>
> I've learned that time dependent density functional theory, but never
> learned that how to something like temperature dependent density functional
> theory. I want to know whether it is possible to do temperature dependent
> density functional theory within the frame of DFT?
>
> Kind regards,
> --
> Hongyi Zhao <hongyi.zhao@gmail.com>
> Xinjiang Technical Institute of Physics and Chemistry
> Chinese Academy of Sciences
> GnuPG DSA: 0xD108493
> 2009-6-5
>
>

--
Pierre-Matthieu Anglade

[abinit-forum] temperature dependent density functional theory, hongyi . zhao, 06/05/2009
- Re: [abinit-forum] temperature dependent density functional theory, Anglade Pierre-Matthieu, 06/08/2009
- <Possible follow-up(s)>
- Re: [abinit-forum] temperature dependent density functional theory, Pascal Boulet, 06/08/2009