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<DIV><FONT face=Arial size=2>Dear XW</FONT></DIV>
<DIV><FONT face=Arial size=2> Maybe a good & fast site for
this purpose is the: Bilbao Crystallographic Server. <A
href="http://www.cryst.ehu.es/cryst/get_kvec.html">http://www.cryst.ehu.es/cryst/get_kvec.html</A></FONT></DIV>
<DIV><FONT face=Arial size=2> Here you can find all the
relevant information for a specific space group, for both direct-space and
reciprocal-space.</FONT></DIV>
<DIV><FONT face=Arial size=2>Regards</FONT></DIV>
<DIV><FONT face=Arial size=2>Ricardo</FONT></DIV>
<DIV>-------------------------------------------------------------------------<BR>-----
Dr. Ricardo Faccio<BR> <BR> Mail: Cryssmat-Lab., Cátedra de Física,
DETEMA<BR> Facultad de Química, Universidad de la
República<BR> Av. Gral. Flores 2124, C.C.
1157<BR> C.P. 11800, Montevideo,
Uruguay.<BR> E-mail: <A
href="mailto:rfaccio@fq.edu.uy">rfaccio@fq.edu.uy</A><BR> Phone: 598 2
9249859<BR>
598 2 9290705<BR> Fax: 598 2 9241906<BR>
Web: <A
href="http://cryssmat.fq.edu.uy/ricardo/ricardo.htm">http://cryssmat.fq.edu.uy/ricardo/ricardo.htm</A></DIV>
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<DIV style="FONT: 10pt arial">----- Original Message ----- </DIV>
<DIV
style="BACKGROUND: #e4e4e4; FONT: 10pt arial; font-color: black"><B>From:</B>
<A title=lo_wan_2005@hotmail.com
href="mailto:lo_wan_2005@hotmail.com">Lo_wan_2005LDA+DMFT</A> </DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A
title=wien@zeus.theochem.tuwien.ac.at
href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</A>
; <A title=ccmp@nju.edu.cn href="mailto:ccmp@nju.edu.cn">ccmp@nju.edu.cn</A>
</DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Sunday, October 12, 2008 3:10
PM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> [Wien] How one can know the
high-symmetry point in the Brillouinzone</DIV>
<DIV><BR></DIV>Dear all<BR><BR>I am asking a very simple question.<BR><BR>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?<BR><BR>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.<BR>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?<BR><BR>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?<BR><BR>Thanks!<BR><BR>XW<BR><BR><BR>
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