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., C?tedra de F?sica, DETEMA
Facultad de Qu?mica, Universidad de la Rep?blica
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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