forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] Phonon dispersion curves are inconsistent with exp.

From: "张�s" <zhangting1980323@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] Phonon dispersion curves are inconsistent with exp.
Date: Tue, 1 Jan 2008 23:02:24 +0800
Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=message-id:date:from:to:subject:in-reply-to:mime-version:content-type:references; b=NZHfNmlAzgZBv1vA9MwMkF+F++GMssUBUA1rUTHakppWTm11ziCaPiAKkotVwNacRTUfUtUltdA3Hg+Jp4wKX5AoRwD1CjRUnaaoBMFUlElrHuP3UXcml3uIxV3zXKR6U+ldwH+HgDcsf5ul5cAIqSc4t8YlW6K15HHrG6+JGoE=

Hi Z. Liu:

   In your input file, there is just one atom in the cell. So of course your phonon curve will have only 3 branches. You should check your cell information.

Regards

                                                                           Zhang Ting
                                                                           Peking Univ.
                                                                           Jan 1st, 2008

Re: [abinit-forum] Phonon dispersion curves are inconsistent with exp., 张�s, 01/01/2008
- <Possible follow-up(s)>
- Re: Re: [abinit-forum] Phonon dispersion curves are inconsistent with exp., truefriends, 01/02/2008