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Re: [abinit-forum] question about calculating phonon

From: "H.Y Liu" <ouuing@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] question about calculating phonon
Date: Tue, 1 Dec 2009 12:33:27 +0800
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thank you . I know.

best regards!

On Tue, Dec 1, 2009 at 7:21 AM, Xie Yu <lazycle@gmail.com> wrote:
> Dear Hangyu,
>
> I think you need to calculate with the unit cell with 2 atoms to get the
> phonon dispersion which you want.
>
> Best,
>
> Yu
>
> On Mon, Nov 30, 2009 at 4:19 AM, H.Y Liu <ouuing@gmail.com> wrote:
>>
>> I want to calculate phonon spectrum. I use primitive cell to perform
>> it. but I hope to get phonon bandstructure with unit cell.
>> my primitive cell have 1 atom and my unit cell have 2 atoms. I want to
>> get phonon bandstructure with 2 atoms.
>>
>> can somebody tell me how to do it?
>>
>> thank you!
>>
>> best regards!
>>
>> --
>> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=**=-=**=-=**=-=*=-=*=-=*=-=*=-=*=-
>> Hanyu Liu(刘寒雨),
>> MS.
>> State key Laboratory of Superhard Materials, Jilin University, China
>> Email: liuhanyu08@mails.jlu.edu.cn ouuing@gmail.com
>
>

--
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=**=-=**=-=**=-=*=-=*=-=*=-=*=-=*=-
Hanyu Liu(刘寒雨),
MS.
State key Laboratory of Superhard Materials, Jilin University, China
Email: liuhanyu08@mails.jlu.edu.cn ouuing@gmail.com

Re: [abinit-forum] question about calculating phonon, Xie Yu, 12/01/2009
- Re: [abinit-forum] question about calculating phonon, H.Y Liu, 12/01/2009
  - Re: [abinit-forum] question about calculating phonon, Anglade Pierre-Matthieu, 12/01/2009