[Pw_forum] k-path for phonon
flux_ray12 at 163.com
Thu Nov 3 01:48:42 CET 2011
In my opinion, having chosen the k-path by xcrysden, you can modify the k-path file in QE/PlotPhon/Include, then the full k-path can be generated by QE/PlotPhon/bin/k_for_bands.x
CMC Lab, MSE, SNU, Seoul, S.Korea
At 2011-11-03 18:58:16,"Éric Germaneau" <germaneau at gucas.ac.cn> wrote:
I got confused about how to generate k-path for matdyn.in file.
I just realized that xcrysgen does not have option to write k-vectors in 2pi/a unit ....
Would you please tell me hoe you proceed?
Be the change you wish to see in the world
— Mahatma Gandhi —
Dr. Éric Germaneau
Graduate University of Chinese Academy of Sciences
College of Physical Sciences
Yuquan Road 19A
Please, if possible, don't send me MS Word or PowerPoint attachments
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