[Wien] How one can know the high-symmetry point in the Brillouinzone

[Ricardo Faccio]

Dear XW
    Maybe a good & fast site for this purpose is the: Bilbao Crystallographic Server. http://www.cryst.ehu.es/cryst/get_kvec.html
    Here you can find all the relevant information for a specific space group, for both direct-space and reciprocal-space.
Regards
Ricardo
-------------------------------------------------------------------------
-----   Dr. Ricardo Faccio
 
  Mail: Cryssmat-Lab., Cátedra de Física, DETEMA
  Facultad de Química, Universidad de la República
       Av. Gral. Flores 2124, C.C. 1157
       C.P. 11800, Montevideo, Uruguay.
  E-mail: rfaccio at fq.edu.uy
  Phone: 598 2 9249859
             598 2 9290705
  Fax:    598 2 9241906
  Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
  ----- Original Message ----- 
  From: Lo_wan_2005LDA+DMFT 
  To: wien at zeus.theochem.tuwien.ac.at ; ccmp at nju.edu.cn 
  Sent: Sunday, October 12, 2008 3:10 PM
  Subject: [Wien] How one can know the high-symmetry point in the Brillouinzone


  Dear all

  I am asking a very simple question.

  How one can know the high-symmetry point in the Brillouin zone? If there is literature or software to determine the points of high-symmetry points for any lattice structure?

  For example, for the LaOFeAs, the Space group is P4/nmm. People plot the band-structure along the line of M-A-Gamma-X-M-Gamma-Z-R-A-Z.
  We know Gamma is (0,0,0). But how we know the position of other points? In PRL100-237003, Singh and Du list these positions, I am wondering how we can determine these positions?

  And if one consider the checkerboard-antiferromagnetic structure or striped-AFM structure, the primitive translations will change, as a result the Brillouin zone also change. In that case, how one can get the positions of the high-symmetry points?

  Thanks!

  XW



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