GROUP THEORY SYMBOL

GTTbParmToRule

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

DetailsDetails

  • 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

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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Retrieve the parameter set from the corresponding database:

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Now construct the substitution rule

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