forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: {Spam?} [abinit-forum] densities of two-phonon states problem

From: matthieu verstraete <matthieu.jean.verstraete@gmail.com>
To: 徐 <lanqingxu@fjnu.edu.cn>
Cc: forum@abinit.org
Subject: Re: {Spam?} [abinit-forum] densities of two-phonon states problem
Date: Sat, 18 Jul 2009 08:48:17 +0200
Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=mime-version:in-reply-to:references:date:message-id:subject:from:to :cc:content-type:content-transfer-encoding; b=Bcw0vflqKTYT8Ep6LC2IFbsQdMKeaFQBHxyyBSGZws2LCT1rXW/svoTVly5po23n+U ux7uy5rrf9Wz7PhS3veL7yhXcWeBLz145MFQrCSHmCWUPrEdA0EeVbRCsH806xa4lrxC w+w+0FG4J06ngRKQuUczsZG3IAg6X5kFEm0f0=

This is not coded inside abinit yet (of course remember this is only
an approximation for higher order terms - there is still no 3 phonon
quantity in abinit). Aldo Romero has done it for several papers with
his own hack, and will integrate it when possible (perhaps he can
provide a reference for the method). It isn't very difficult to do
from the 1 phonon DOS and a few integrals, but it would be a great
addition to the standard output for prtdos 1, I agree.

Matthieu

2009/7/16 徐 <lanqingxu@fjnu.edu.cn>:
> Dear forum users,
> I'm following tutor of response function now. When I add
> prtdos 1 # output phonon dos
> to the input file, I can only get one set of phonon DOS. I think it should
> be densities of one-phonon states(Am I right? I'm not sure.). Then how can I
> get densities of two-phonon states? Shall I add any more parameters?
> Any comments will be welcome. Thank you in advance.
>
> Best regards,
>
> sincerely yours
> shelleny

--
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete

European Theoretical Spectroscopy Facility (ETSF)
Dpto. Fisica de Materiales,
U. del Pais Vasco,
Centro Joxe Mari Korta, Av. de Tolosa, 72, Phone: +34-943018393
E-20018 Donostia-San Sebastian, Spain Fax : +34-943018390

Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500

[abinit-forum] densities of two-phonon states problem, 徐, 07/16/2009
- Re: {Spam?} [abinit-forum] densities of two-phonon states problem, matthieu verstraete, 07/18/2009