[Pw_forum] Pt bulk phonon calculated by PWSCF 1.2.0
giannozz at nest.sns.it
Sat Apr 5 19:20:00 CEST 2003
On Tuesday 01 April 2003 17:43, Hong, SamPyo wrote:
> I'm trying to analyze the displacement for each vibrational mode
> calculated at q=0. But I can't see how/where to access/find eigenvectors
> for calculated vibrational modes :( I already read all READMEs and INPUT_*
> but no help. Does that "dynmat.x" program have something to do with it?
the program dynmat.x reads and diagonalises the dynamical matrix.
There is an option to write eigenvectors in a format that can be plotted
by the "molden" visualization program. See the source header of dynmat.f90
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050509412
Piazza dei Cavalieri 7 Fax: +39/050509417, 050563513
I-56126 Pisa, Italy Office: Lab. NEST, Via della Faggiola 19
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