[Pw_forum] inqure about the theory of infrared spectrum calculation

lfhuang lfhuang at theory.issp.ac.cn
Mon Dec 21 09:11:42 CET 2009


Dear Y. H. Xu:
    P. Umari's papers are worthy of being refered to, e.g.:
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.
The relevent papers citing these papers shall be not hard to trace.

Best Wishes
Yours Sincerely
L.F.Huang
Other papers shall be 
> Date: Sun, 20 Dec 2009 20:56:35 +0800
> From: xu yuehua 
> Subject: [Pw_forum] inqure about the theory of infrared spectrum
> 	calculation
> To: PWSCF Forum 
> Message-ID:
> 	
> Content-Type: text/plain; charset="iso-8859-1"
> 
> hi everyone here:
> 
> i am seeking some literature or  paper about infrared intensity calculation
> in PWSCF, can anyone tell me
> 
> where is it available.
> 
> thank you !
> 
> -- 
> Yuehua Xu
> Group of Computational Condensed Matter Physics,
> National Laboratory of Solid State Microstructures and Department of
> Physics,
> Nanjing University,
> Nanjing 210093,
> P. R. China
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------
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L.F.Huang(黄良锋) ph.D candidate, DFT and phonon physics
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