[Pw_forum] Dynamical Matrix at the equivalent q-points in phonon dispersion calculations

[Zhong-Li Liu]

Dear Wang,

   Thank you for the quick reply. You are right, just as the normal method that
we usually use to calculate the phonon dispersion curve with ph.x, q2r.x
and matdyn.x, we can obtain the dispersion curve. However, I am trying another
way that the dynamical matrices are calculated using other methods such as lmto
linear-reponse code. The code just provide one of the dynamical matrices of
the same set of equivalent q-points, so I need reduce the known
dynamical matrices
to get the others' probably according to the symmetry operations of q-points.

Best wishes,
Z.Liu

On 24/09/2009, xirainbow <nkxirainbow at gmail.com> wrote:
> Dear Liu:
> If you just want to perform q2r calculation, I do not think you have to get
> daynamic matrix manually.
> You can follow example 06 to fulfill your calculation ：）
>
> ____________________________________
> Hui Wang
> School of physics, Nankai University, Tianjin, China
>


-- 
Dr. Liu, Luoyang Normal University, Luoyang, China
E-mail: zl.liu.caep at gmail.com