[Pw_forum] Phonon dispersion curve

Masoud Rahbar masoudrahbar09 at gmail.com
Thu Jun 29 09:57:34 CEST 2017


Dear QE users
I am learning how to plot phonon dispersion curves. in phonon examples
there is an example (link below) which calculates the phonon dispersion for
Aluminum the result is shown in the figure below:
but according to the literature, it should have been something like this:

the k path is the same. Could someone help me why there is a difference?
https://github.com/maxhutch/quantum-espresso/tree/master/PHonon/examples/example14
I am using QE version 5.4.0
Thanks

Masoud Rahbar Niazi
PhD student
Tarbiat Modares University, Tehran, Iran
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