[Pw_forum] a few frequencies in PHONON calculation

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Sat Dec 26 14:39:33 CET 2015


Dear Eduardo,
The frequency are the square roots of the eigenvalues of the dynamical
matrix, it is not possible to compute just a few eigenvalues without having
the whole matrix.

Kind regards

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On 22 Dec 2015 6:55 pm, "Eduardo Menendez" <eariel99 at gmail.com> wrote:

> Hi,
> I have one doubt about the PHONON code. Is it possible to compute just a
> few phonon frequencies using the PHONON keywords last_irr, ldiag ? For
> example, using
>
> last_irr = 10,
>   ldiag=.true.,,
>
> may one find the frequencies of just the first irreducible representations
> ?
>
> Thank you,
>
> Eduardo Menendez Proupin
> Departamento de Fisica, Facultad de Ciencias, Universidad de Chile
> URL: http://www.gnm.cl/emenendez
>
>
>
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