[Pw_forum] band structure for a 72 C atom supercell

[lfhuang]

Dear Elie:
     This problem is just caused by the fact that the bands at each k point are not sorted according to their symmetry. It probably has been mentioned many times on this Forum. 
     You can have a look at the difference between the magnitude sorting and symmetry sorting in the web page below:
http://blog.sciencenet.cn/home.php?mod=space&uid=345795&do=blog&id=422819
where phonon dispersions of graphene are given as examples, and the basic algorithm should be applicable to the symmetry sorting of electronic band dispersions. I don't known whether the symmetry sorting of electronic band dispersions have been realized in QE. If not, I may do this job when time permits. 

    Hope this be of some use to you.

Best Wishes!

Yours Sincerely,
L. F. Huang

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L.F.Huang （黄良锋）, Electronic Structure 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: 86-551-5591440(office)
Fax: 86-551-5591434
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