GROUP THEORY SYMBOL

GTTbToFortranList

GTTbToFortranList[Hamiltonian,parameter set,database]
prints a Hamiltonian as FORTRAN code.

DetailsDetails

  • 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. For that purpose a parameter set from database has to be provided, which corresponds to Hamiltonian.
  • The following option can be given:
  • GOVerboseFalseControls the output of additional information
  • 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:

In[1]:=
Click for copyable input

Set the directory of predefined data.

In[2]:=
Click for copyable input

Read the Hamiltonian for fcc structure and spd basis.

In[3]:=
Click for copyable input
In[4]:=
Click for copyable input

Options  (1)Options  (1)

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