[Pw_forum] how to choose high-symmetry q points in the first irreducible Brillouin zone

Guoying Gao gaoguoying at gmail.com
Tue Nov 6 13:48:17 CET 2007


Dear everyone,

     I 'm doing the calculation of the band structure for monoclinic
based-centered cell. I define the lattice vector through ibrav=0 and
CELL PARAMETERS.
However, when I do the calculation of  the band structure, I didn't
know how to choose the high-symmetry qpoints in the first irreducible
Brillouin zone. Does
anyone know this? Any suggestions will be appreciated.
Thanks in advance.
Best wishes.
                                       Gao



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