[Pw_forum] Phonon partial DOS

[Paolo Giannozzi]

On Thursday 07 April 2005 08:15, Bartek Wiendlocha wrote:

> I'd like to calculate the partial phonon DOS (associated with specific
> atom in the unit cell). I wonder if someone has written a code for
> calculating it, and want to share with others?

the implementation with gaussian broadening should be trivial;
If one wants better-looking pictures, however, tetrahedra are 
needed. The following should apply as well to this case:
http://www.democritos.it/pipermail/pw_forum/2004-August/001203.html

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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