GROUP THEORY SYMBOL

GTTbWannier90Hamiltonian

GTTbWannier90Hamiltonian[data,reciprocal basis] constructs a tight binding Hamiltonian from data from WANNIER)0 and the reciprocal basis.

DetailsDetails

  • Data from the WANNIER90 package can be read, a tight-binding Hamiltonian is created out of the information. the tools of GTPack canbe used to plot band struchtures and to calculate the DOS, etc.
  • The following options canbe given:
  • GOCutOff0
    GOVerboseFalseControls the output of additional information.
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 9.4.4

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package :

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Set the directory to the example.

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THe data set for Cu was created by means of VASP. Read the data:

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Reciprocal basis vectors

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Construct the Hamiltonian

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Plot the band structure

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It is an example, but not a perfect Cu band structure.

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