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<div>Dear prof. Isaev:
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Thank you for your help and correction! Yes I had mixed "polarization" and "epsilon" due to not taking the
<BR>
designation "polarization" seriously before.
<BR>
Thank you very much!
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Best Wishes!
<BR>
<BR>
Yours Sincerely
<BR>
L.F.Huang
<BR>
<BR>
<BR>
</FONT><FONT color=#444444>> Date: Tue, 10 Feb 2009 04:13:44 -0800 (PST)
<BR>
</FONT><FONT color=#444444>> From: Eyvaz Isaev
<BR>
</FONT><FONT color=#444444>> Subject: Re: [Pw_forum] coordination system for polarizations in
<BR>
</FONT><FONT color=#444444>> matdyn.modes
<BR>
</FONT><FONT color=#444444>> To: PWSCF Forum
<BR>
</FONT><FONT color=#444444>> Message-ID:
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</FONT><FONT color=#444444>> Content-Type: text/plain; charset=utf-8
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</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Dear Huang,
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> the polarizations (epsilon) of vibrating atoms is in the output file
<BR>
</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> This looks somewhat strange. I mean mixed "polarization and epsilon".
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</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> Is it Cartesian coordination(I guess so)?
<BR>
</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> If you mean displacements in matdyn.modes, it is, you are right.
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</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> Bests,
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</FONT><FONT color=#444444>> Eyvaz.
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> -------------------------------------------------------------------
<BR>
</FONT><FONT color=#444444>> Prof. Eyvaz Isaev,
<BR>
</FONT><FONT color=#444444>> Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia,
<BR>
</FONT><FONT color=#444444>> Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden
<BR>
</FONT><FONT color=#444444>> Condensed Matter Theory Group, Uppsala University, Sweden
<BR>
</FONT><FONT color=#444444>> <A href=mailto:Eyvaz.Isaev@fysik.uu.se>Eyvaz.Isaev@fysik.uu.se</A>, <A href=mailto:isaev@ifm.liu.se>isaev@ifm.liu.se</A>, <A href=mailto:eyvaz_isaev@yahoo.com>eyvaz_isaev@yahoo.com</A>
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> --- On Tue, 2/10/09, lfhuang wrote:
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> From: lfhuang
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> Subject: [Pw_forum] coordination system for polarizations in matdyn.modes
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> To: "pw_forum"
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> Date: Tuesday, February 10, 2009, 8:43 AM
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</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> Hello everyone:
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> Could anyone tell me what the coordination system for
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> the polarizations (epsilon) of vibrating atoms is in the
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> output
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> file matdyn.modes of matdyn.x? Is it Cartesian
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</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> coordination(I guess so)? or lattice coordination?
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</FONT><FONT color=#444444>> </FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> I'd like to appreciate any help!
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</FONT><FONT color=#444444>> </FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> Best Wishes!
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> Yours Sincerely
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> L.F.Huang
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> ------
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> ------
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======================================================================
<BR>
L.F.Huang(黄良锋) <A href=mailto:lfhuang@theory.issp.ac.cn>lfhuang@theory.issp.ac.cn</A>
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======================================================================
<BR>
Add: Research Laboratory for Computational Materials Sciences,
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Instutue of Solid State Physics,the Chinese Academy of Sciences,
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P.O.Box 1129, Hefei 230031, P.R.China
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Tel: 86-551-5591464-328(office)
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Fax: 86-551-5591434
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Web: <A href=http://theory.issp.ac.cn target=_blank>http://theory.issp.ac.cn</A</FONT><FONT color=#444444>> (website of our theory group)
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<A href=http://www.issp.ac.cn target=_blank>http://www.issp.ac.cn</A</FONT><FONT color=#444444>> (website of our institute)
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======================================================================
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