hello L.F.Huang Thank you for your reply. and maybe you have read the reference you give me.
and is that theory used in PWSCF code? ---------- Forwarded message ---------- From: lfhuang <[email protected]> Date: 2009/12/21 Subject: Re: [Pw_forum] inqure about the theory of infrared spectrum calculation To: pw_forum <pw_forum at pwscf.org> 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 > -------------- next part -------------- > An HTML attachment was scrubbed... > URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091220/b073799d/attachment.html> > ------ ====================================================================== L.F.Huang(???) ph.D candidate, DFT and phonon physics ====================================================================== Add: Research Laboratory for Computational Materials Sciences, Instutue of Solid State Physics,the Chinese Academy of Sciences, P.O.Box 1129, Hefei 230031, P.R.China Tel: 86-551-5591464-328(office) Fax: 86-551-5591434 Web: http://theory.issp.ac.cn> (website of our theory group) http://www.issp.ac.cn> (website of our institute) ====================================================================== <http://www.issp.ac.cn/> <http://theory.issp.ac.cn/><http://www.democritos.it/pipermail/pw_forum/attachments/20091220/b073799d/attachment.html> _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -- 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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091221/b8754900/attachment-0001.htm
