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<div>Dear Y. H. Xu:
<BR>
P. Umari's papers are worthy of being refered to, e.g.:
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P. Umari, A. Pasquarello, "Infrared and Raman spectra of disordered materials from first principles" Diamond & Related Materials vol 14, p1255-1261 (2005). Or the references therein.
<BR>
The relevent papers citing these papers shall be not hard to trace.
<BR>
<BR>
Best Wishes
<BR>
Yours Sincerely
<BR>
L.F.Huang
<BR>
Other papers shall be
<BR>
</FONT><FONT color=#444444>> Date: Sun, 20 Dec 2009 20:56:35 +0800
<BR>
</FONT><FONT color=#444444>> From: xu yuehua
<BR>
</FONT><FONT color=#444444>> Subject: [Pw_forum] inqure about the theory of infrared spectrum
<BR>
</FONT><FONT color=#444444>> calculation
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</FONT><FONT color=#444444>> To: PWSCF Forum
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</FONT><FONT color=#444444>> Message-ID:
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</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> Content-Type: text/plain; charset="iso-8859-1"
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</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> hi everyone here:
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</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> i am seeking some literature or paper about infrared intensity calculation
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</FONT><FONT color=#444444>> in PWSCF, can anyone tell me
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</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> where is it available.
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</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> thank you !
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</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> --
<BR>
</FONT><FONT color=#444444>> Yuehua Xu
<BR>
</FONT><FONT color=#444444>> Group of Computational Condensed Matter Physics,
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</FONT><FONT color=#444444>> National Laboratory of Solid State Microstructures and Department of
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</FONT><FONT color=#444444>> Physics,
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</FONT><FONT color=#444444>> Nanjing University,
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</FONT><FONT color=#444444>> Nanjing 210093,
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</FONT><FONT color=#444444>> P. R. China
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------
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======================================================================
<BR>
L.F.Huang(黄良锋) ph.D candidate, DFT and phonon physics
<BR>
======================================================================
<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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