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
--
GAO Zhe
CMC Lab, MSE, SNU, Seoul, S.Korea
At 2011-11-03 18:58:16,"?ric Germaneau" <germaneau at gucas.ac.cn> wrote:
Dear all,
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?
Thank you,
?ric.
--
Be the change you wish to see in the world
? Mahatma Gandhi ?
Dr. ?ric Germaneau
Graduate University of Chinese Academy of Sciences
College of Physical Sciences
Yuquan Road 19A
Beijing 100049
China
Please, if possible, don't send me MS Word or PowerPoint attachments
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