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Re: [abinit-forum] soft mode phonons

From: NISHIMATSU Takeshi <t_nissie@yahoo.co.jp>
To: forum@abinit.org
Subject: Re: [abinit-forum] soft mode phonons
Date: Tue, 9 Dec 2008 15:29:59 +0900 (JST)
Domainkey-signature: a=rsa-sha1; q=dns; c=nofws; s=yj20050223; d=yahoo.co.jp; h=Message-ID:Received:Date:From:Subject:To:In-Reply-To:MIME-Version:Content-Type; b=oOWEBUv8W2lHkKVZDOrrEWdIRgbXbaEfWrl9qOpeOCkwW0M0l62T2ZvLKyK93+WEJO0otlXw2CifO4y+Cqd9s0qyz35C/A/TJaoukblmRNV+vARNa8dPLnbZ7w5LZFDK ;

Mozhgan,

My software package feram (http://loto.sf.net/feram/) has an
example of PbTiO3 calculation using ABINIT in the directory of
feram-0.07.02/src/10example-PbTiO3-DDB2short/ .

You can download the latest package from
http://sourceforge.net/project/showfiles.php?group_id=204591&package_id=245013

Or you can directly see the input and output files at
https://loto.svn.sourceforge.net/svnroot/loto/feram/trunk/src/10example-PbTiO3-DDB2short/

--- mozhganamini@yahoo.com wrote:
> I have done RF1 lesson for one of the ABO3 compounds for getting it's phonon
> frequencies and I have gotten some real frequencies. But, I know that this
> compound has soft mode in TO1.
> Can Abinit code calculates these soft modes or I did some wrong thing in my
> calculations?

Good luck,
--
Takeshi Nishimatsu
love && peace && free_software
http://loto.sourceforge.net/feram/ Fast MD program for perovskite-type
ferroelectrics

[abinit-forum] soft mode phonons, mozhganamini, 12/07/2008
- Re: [abinit-forum] soft mode phonons, matthieu verstraete, 12/08/2008
  - Re: [abinit-forum] soft mode phonons, Mozhgan Amini, 12/08/2008
    - Re: [abinit-forum] soft mode phonons, Eric Bousquet, 12/09/2008
- Re: [abinit-forum] soft mode phonons, NISHIMATSU Takeshi, 12/09/2008
  - Re: [abinit-forum] soft mode phonons, Mozhgan Amini, 12/09/2008