GROUP THEORY SYMBOL

GTTbParameterNames

GTTbParameterNames[maximum angular momentum,maximum shell number]
creates a set of parameter names up to maximum angular momentum and maximum shell number.

DetailsDetails

  • If a Hamiltonian, constructed by GTPack is transformed in a FORTRAN module, the nP symbols of tight-binding parameters have to be translated in a one-dimensional list P of dimension nP. GTTbParameterNames creates a list of thight-binding symbols. The i-th parameter in this list becomes the i-th parameter P(i) in the FORTRAN code.
  • If a parameter set corresponding to the constructed Hamiltonian is available this set can substitute the maximum angular momentum in the input. The list of symbols will be extracted from the parameter set.
  • The following options can be given:
  • GOTbBasis0Suppresses subscripts within element names
    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:

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A Cu parameter set is taken from the library.

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A list of the parameters is created, which is used in the transformation to a FORTRAN Modul.

The first number is the maximum angular momentum l=2. The next number ist the maximum shell number.

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The input can be a parameter set. The parameters will be extracted from this list. In this case the number of shells can be omitted.

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If the compound PbTe is taken from the library, the list with superscripts is generated.

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Options  (2)Options  (2)

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