[Pw_forum] Can I use resluts of gamma point to calculate the phonon dispersion curve?

Peng Tao ptao10b at imr.ac.cn
Tue Sep 24 03:19:38 CEST 2013


Dear all,

I have calculated the phonon frequencies of gamma point before, and now I'm planning to
calculate its phonon dispersion curve. Can I use the results of gamma point? If not, phonon
of the gamma point needs to be recalculated, which is really a waste of time.

My system is quite large and one-dimensional, so the gamma point is exclusively important.
If it is possible to make use of previous results, plenty of time will be saved.

Thank you very much!


Warmest regards,
Peng Tao



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PH.D. candidate Peng Tao 
Magnetism and Magnetic Materials Division
National Laboratory for Material Science
Institute of Metal Research, Chinese Academy of Sciences
Phone  +86-024-83978751
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