GroupTheory`
GroupTheory`

GTTbDatabaseInfo

GTTbDatabaseInfo[database]

gives information about the tight-binding parameter sets available in database.

Details and Options

  • Tight-binding parameters can be stored into databases. The database "TB_Handbook" contains selected parameter sets from the book: D. A. Papaconstantopoulos, Handbook of the Bandstructure of Elemental Solids, Springer, 1986. GTTbDatabaseInfo can be used to print the contents of a chosen database.
  • The file name of database has to have the extension ".parm". The extension will be appended, if it is missing.
  • The parameter sets are stored as lists containing the parameter names and the corresponding values.
  • Various parameter sets are part of GTPack and are listed in the description below. Some parameter sets are recalculated and marked with (r) in the reference column.
  • 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:

Available databases:

Print a selected database:

A consecutive number is printed in the first column. This number can be used in GTTbDatabaseRetrieve and GTTbPrintParmSet as an index for the parameter set.