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<div>Dear Antonio:
<BR>
There is a small code that is capable of calculating the partial contribution of each atom in each phonon mode.
<BR>
Link:
<BR>
<A href=http://blog.sciencenet.cn/home.php?mod=space&uid=345795&do=blog&quickforward=1&id=422819 target=_blank>http://blog.sciencenet.cn/home.php?mod=space&uid=345795&do=blog&quickforward=1&id=422819</A>
<BR>
<BR>
Best Wishes!
<BR>
Yours Sincerely
<BR>
L. F. Huang
<BR>
<BR>
</FONT><FONT color=#444444>> Date: Mon, 22 Aug 2011 11:03:48 -0300
<BR>
</FONT><FONT color=#444444>> From: Antonio
<BR>
</FONT><FONT color=#444444>> Subject: [Pw_forum] Phonon Calculations: partial results
<BR>
</FONT><FONT color=#444444>> To: <A href=mailto:pw_forum@pwscf.org>pw_forum@pwscf.org</A>
<BR>
</FONT><FONT color=#444444>> Message-ID:
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Content-Type: text/plain; charset=ISO-8859-1
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</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Dear QE's users.
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> I'm carrying out some phonon calculations using the Espresso4.1. I
<BR>
</FONT><FONT color=#444444>> would like to ask if I can check the partial results, such as the
<BR>
</FONT><FONT color=#444444>> first normal mode calculated.
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Best regards!
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> --
<BR>
</FONT><FONT color=#444444>> Doutorando Ant?nio M. Da Silva Jr.
<BR>
</FONT><FONT color=#444444>> NEQC: Nucleo de Estudos em Quimica Computacional
<BR>
</FONT><FONT color=#444444>> Departamento de Quimica - ICE
<BR>
</FONT><FONT color=#444444>> Universidade Federal de Juiz de Fora
<BR>
</FONT><FONT color=#444444>> Campus Universitario S/N 36.036-330
<BR>
</FONT><FONT color=#444444>> Juiz de Fora - MG - Brasil
<BR>
</FONT><FONT color=#444444>> <A href=http://lattes.cnpq.br/0895213089855328 target=_blank>http://lattes.cnpq.br/0895213089855328</A>
<BR>
</FONT><FONT color=#444444>>
<BR>
<BR>
<BR>
------
<BR>
======================================================================
<BR>
L.F.Huang(黄良锋) DFT and phonon physics
<BR>
======================================================================
<BR>
Add: Research Laboratory for Computational Materials Sciences,
<BR>
Instutue of Solid State Physics,the Chinese Academy of Sciences,
<BR>
P.O.Box 1129, Hefei 230031, P.R.China
<BR>
Tel: 86-551-5591464-326(office)
<BR>
Fax: 86-551-5591434
<BR>
======================================================================
<BR>
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