Dear QEers:
Sorting phonons by magnitude and band index are two ways to plot phonon
dispersions. Especially, the later is important for the precise understanding
of phonons and for the calculation of some physical parameters, like Gruneissen
constants. I have written a small code (named sort_phon) to do these sorting
tasks, which needs the output of Quantum ESPRESSO (matdyn.modes) as input. The
code package can be download in the link below:
http://bbs.sciencenet.cn/home.php?mod=space&uid=345795&do=blog&quickforward=1&id=422819
where an introductory tutorial and an example about graphene phonon dispersions
is included.
I sincerely hope it could bring you some convenience in your daily research.
Best Wishes!
Yours Sincerely
L. F. Huang ------
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L.F.Huang(???) DFT and phonon physics
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Add: Research Laboratory for Computational Materials Sciences,
Instutue of Solid State Physics,the Chinese Academy of Sciences,
P.O.Box 1129, Hefei 230031, P.R.China
Tel: 86-551-5591464-326(office)
Fax: 86-551-5591434
Our group: http://theory.issp.ac.cn
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