[Pw_forum] Fwd: Regarding Animations in vibrational spectrum

Paolo Giannozzi giannozz at democritos.it
Sun Oct 7 11:19:56 CEST 2012


On Oct 6, 2012, at 9:18 , Kondaiah Samudrala wrote:

> We successfully completed the gamma point frequencies of  
> orthorhombic structure using pw.x,  ph.x and dynamat.x. Now we want  
> to analyze vibrational property of each mode like bending,  
> stretching or wagging etc.. How can we get these properties using  
> PWscf or Xcryden.

http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_phon.html
at the end of the "Phonon at Gamma point" section

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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