[Pw_forum] Phonon dispersion curve
Lorenzo Paulatto
lorenzo.paulatto at impmc.upmc.fr
Thu Jun 29 10:45:27 CEST 2017
If you put them on the same scale, they are not so different. Keep in
mind that the example probably uses not many k-points, also, check if
the functional is the same.
hth
On 29/06/17 09:57, Masoud Rahbar wrote:
> 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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--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
www: http://www-int.impmc.upmc.fr/~paulatto/
mail: 23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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