[Pw_forum] Question on phonon calculation.

[Stefano de Gironcoli]

please study carefully example06 where the calculation you are
asking about is performed for zincblende AlAs .
These and other technical issues are also discussed in Rev.Mod.Phys. 73,
515 (2001)

best regards, stefano

张 洪彬 wrote:

> Dear all:
> Now I am calculating the phonon structure of MgB2, and I have 3
> questions:
> 1. How can one get the dispersion curves of all phonons, since we
> calculate the omegas (k)point by point? You see, when we calculate the
> band structure, we can use band.x and plotband.x, is there anything
> similar when we deal with phonon or do I have to extract omegas for
> several specific k points and get them ploted?
> 2. How can we get the phonon DOS? Obviously due to the same reason as
> above, we do calculation point by point and is there any file which
> include all our results which can be used to use?
> 3. How to interpret the Dynamical Matrix file and how to use it?
> Best Regards
> Hongbin Zhang
>
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