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Re: [abinit-forum] {Spam?} Consult a basic physics concept in calculating phonon


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  • From: liu hanyu <ouuing@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] {Spam?} Consult a basic physics concept in calculating phonon
  • Date: Wed, 12 Aug 2009 09:26:13 +0800
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dear Yuanxun
if you get imaginary frequency at Gamma. you must reset some
variable parameter in order to make acoustic frequency close to 0.
for example, make ecut larger. if you don't understand it , you can
look the solid state physics.

Good luck!

2009/8/11 yx_pxmu <yx_pxmu@163.com>:
> Dear all,
>
> In principle ,do I definitely get positive phonon frequency at
> q=(0,0,0) after I relax the cell shape and ion position completely ? I met a
> problem of getting imaginary frequency after the relaxation of both the cell
> shape and ion position .
> Thanks for hint.
>
> Yuanxun
>
>
>
> ________________________________
> 没有广告的终身免费邮箱,www.yeah.net



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




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