Program BZ

What Program BZ can do   -   Making a BRZ file   -   File <file>.brz   -   Solid-state Symmetry Operations   -   How to run BZ

Although it is possible to set up Brillouin zone calculations by following the instructions in this section, this is a difficult task requiring great care and attention to detail.  An alternative, recommended for general use, is to carry out one or more of the following worked examples.

Examples

Polyethylene: A simple one-dimensional polymer. Systems of this type do not have complicated band structures, unlike diamond or graphite.

Electronic band structure Phonon band structure

 

Diamond: Types of diagrams and tables that can be generated.

Electronic band structure Band structure for surface 4 centered at (0.0,0.0,0.0), perpendicular to axis (1.0,1.0,1.0)      
     

Graphite: A hexagonal solid, typical of a common real solid.

Phonon band structure Electronic band structure    
Electronic band structure for Band 8, centered at point "K"
Viewed in the direction perpendicular to the hexagonal plane
Electronic band structure for Band 9, centered at point "K"
Viewed in the direction of the hexagonal plane