k point sampling

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Jiaye Li · #1 Post by **Jiaye Li** » Tue Oct 28, 2008 9:34 am

Dear all

I am confused about a question that how to sample k point along the symmetry lines when calculating band structure. As we know there are many space groups, each group has its own symmetry points, where can I find all those points? Could anybody give me some information? Thanks in advance.

Jiaye Li · #2 Post by **Jiaye Li** » Tue Oct 28, 2008 9:38 am

I mean for example the coordinates of thoes k points of FCC , BCC etc.

#3 Post by **admin** » Wed Nov 12, 2008 2:58 pm

I would recommend to have a look at some book discussing the symmetry in solids, like C.Bradley and A.P.Cracknell, The Mathematical Theory of Symmetry in Solids (Clarendon Press, Oxford, 1972). In this book you will find the complete list of high symmetry lines and points.
which lines you actually use to plot a bandstructure is not fixed by a certain convention, please simply have a look in literature.

Jiaye Li · #4 Post by **Jiaye Li** » Tue Nov 18, 2008 5:21 am

Thank you!

Jiaye Li · #5 Post by **Jiaye Li** » Tue Nov 18, 2008 5:21 am

Thank you!

Jiaye Li · #6 Post by **Jiaye Li** » Tue Nov 18, 2008 5:21 am

Thank you!