GroupTheory`
GroupTheory`

GTTbParmToRule

GTTbParmToRule[parameter set]

gives a rule to replace tight-binding symbols using a given parameter set.

Details and Options

  • Parameter sets for the tight-binding method are usually stored in databases and can be loaded using GTTbDatabaseRetrieve.
  • The command changes the parameter set into a substitution rule, which will be used to specify a Hamiltonian for a certain structure and basis set.
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica

Examples

Basic Examples  (1)

First load the package:

Retrieve the parameter set from the corresponding database:

Now construct the substitution rule