GROUP THEORY SYMBOL

GTTbDatabaseRetrieve

GTTbDatabaseRetrieve[database,information]
loads a tight-binding parameter set from a given database.

DetailsDetails

  • Tight-binding parameters can be stored into databases to avoid the input of the tight-binding parameters for standard examples. The database "TB_Handbook" contains selected parameter sets from the book: D. A. Papaconstantopoulos, Handbook of the Bandstructure of Elemental Solids, Springer, 1986
  • The folder datasets/TB_parametersets contains many predefined tight-binding parameter sets.
  • Information can be the name of the parameter set (compound, element) or the number of the parameter set in the database (see GTTbDatabaseInfo).
  • The command selects a single parameter set from the database. The parameter sets are stored as lists containing the parameter names and the corresponding values.
  • The file name of database has to have the extension ".parm". The extension will be appended, if it is missing.
  • 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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List the available parameter sets:

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Call the database to get information about the content:

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Retrieve the corresponding parameter set:

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Also the number of the dataset can be used.

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