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 ------------------------------------------------------------------------------ ????? Windows Live Messenger ???????? ????? ------------------------------------------------------------------------------ _______________________________________________ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20081013/d52f1125/attachment.html