GroupTheory`
GroupTheory`

GTTbToFortranList

GTTbToFortranList[Hamiltonian,parameter set,database]

prints a Hamiltonian as FORTRAN code.

Details and Options

  • GTTbToFortranList does not prepare a ready made FORTRAN module like GTTbToFortran. It uses the internal command FortranForm to translate the Mathematica code. It produces a print of the Hamiltonian, which can be used by copy and paste to build a FORTRAN program.
  • The symbols of the tight-binding parameters are transformed in a list p. Thus, a parameter set from database has to be provided for p, which corresponds to Hamiltonian.
  • The following option can be given:
  • GOVerbose FalseControls the output of additional information
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica

Examples

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Basic Examples  (1)

First load the package:

Set the directory of predefined data.

Read the Hamiltonian for fcc structure and spd basis.

Options  (1)

GOVerbose  (1)

In case of GOVerboseTrue the correspondence of the two-center parameters to the list p is printed additionally.