GroupTheory`
GroupTheory`

GTTbParmExport

GTTbParmExport[parameter set,file,information,ham]

exports a tight-binding parameter set to file together with information. ham is an optional parameter defining a Hamiltonian. The names of the parameters can be taken from this Hamiltonian.

Details and Options

  • GTPack allows to construct names for the tight-binding parameters, close to the nomenclature used in the literature. This form is also used in GTPack itself. To use such parameter sets already stored in the databases of GTPack in other packages, a simplified version of the parameter names is exported together with the corresponding values.
  • Due to this export function an additional typing of the parameters ca be avoided. The command connects GTPack and SimPack.

Examples

Basic Examples  (1)

First load the package:

Set the directory and read the database.

Retrieve the parameter set of Cu from the database.

Export the dataset to a file