If you know the space group of your system (for the diamond structure it's 227), you can find all the high symmetry points at
http://www.cryst.ehu.es/cryst/get_kvec.html along with a labeled picture of the first Brillouin zone. On 04/28/2011 12:33 PM, Eduardo Ariel Menendez Proupin wrote: > Hi Padmaja, > > Please, study the example05 > example05: > This example shows how to use pw.x and postprocessing codes to > make a contour plot in the [110] plane of the charge density for > Si, and to plot the band structure of Si. > > > The code is not aware of the name of the symmetry points (as far as I > know). You should. If you are studying a cubic material, you can find > the names and coordinates of the high symmetry points in a solid state > physics or semiconductor textbook or in one of the hundreds of articles > on band calculations. > If your crystal has a not so usual lattice, you can use the names > defined in the book > > > The Mathematical Theory of Symmetry in Solids: > -- Michael J. Mehl Head, Center for Computational Materials Science Naval Research Laboratory Code 6390 Washington DC
