[Pw_forum] Question on phonon calculation.

张 洪彬 leoant21 at hotmail.com
Tue Jun 28 15:23:30 CEST 2005


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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