GROUP THEORY SYMBOL

GTVibSetParameters

GTVibSetParameters[dynamical matrix,spring constants,masses]
substitutes spring constants and masses in a dynamical matrix.

DetailsDetails

  • The dynamical matrix to calculate phonon spectra in a central force approximation for solids can be generated either from a tight-binding -Hamiltonian, or from the potential and force constant matrix.
  • At the end the model depends on spring constants and masses. GTVibSetParameters will substitute the corresponding parameters by actual values.
  • The following options can be given:
  • GOTbBasis0Supress superscripts with element names.
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 13.2.1.

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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Read the dynamical matrix for the fcc structure.

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Set the parameters in the dynamical matrix.

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Calculate the phonon spectrum.

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Options  (1)Options  (1)

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