Re: [Phonopy-users] breathing mode

[Atz T. <atz...@gm...>]

Hi,

I can not see how it is described in mathematical formulae. Maybe it
is enough for you just to see the animation of a phonon mode. If it is
not, can you describe it mathematically?

Togo

On Thu, Nov 24, 2011 at 9:04 PM, Yundi Quan <qua...@gm...> wrote:
> Hi, It can be best seen in an octahedron. For an atom trapped inside an
> octahedron. If all its neighbors are all moving first towards it and then
> away from it. Then such a vibrational mode is breathing mode.
>
>
> Yundi
>
> -----Original Message-----
> From: Atz Togo [mailto:atz...@gm...]
> Sent: Thursday, November 24, 2011 3:56 AM
> To: Yundi Quan
> Cc: pho...@li...
> Subject: Re: [Phonopy-users] breathing mode
>
> Hi,
>
> Your definition of your breathing mode is unclear. You may need to explain
> what you want using formulae.
>
> Togo
>
>
>
> On Thu, Nov 24, 2011 at 2:20 PM, Yundi Quan <tur...@gm...> wrote:
>> For an atom inside an octahedron, if all the atoms sitting at the
>> corners of the octahedron are moving away from the atom at the center.
>> That's called breathing. This happens in several materials. So I would
>> strongly recommend implementing the option of detecting breathing mode
>> automatically in the code.
>>
>>
>> Yundi
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>
>
>
> --
> Atsushi Togo
> http://atztogo.users.sourceforge.net/
> atz...@gm...
>
> ----------------------------------------------------------------------------
> --
> All the data continuously generated in your IT infrastructure contains a
> definitive record of customers, application performance, security threats,
> fraudulent activity, and more. Splunk takes this data and makes sense of it.
> IT sense. And common sense.
> http://p.sf.net/sfu/splunk-novd2d
> _______________________________________________
> Phonopy-users mailing list
> Pho...@li...
> https://lists.sourceforge.net/lists/listinfo/phonopy-users
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>



-- 
Atsushi Togo
http://atztogo.users.sourceforge.net/
atz...@gm...