GROUP THEORY SYMBOL

GOPlotBands

GOPlotBands
is an option to control the calculation of energy bands in the Brillouin zone.

DetailsDetails

  • GTBands is used to calculate band structures, the energy eigenvalues at single k-points or the energy eigenvalues on a mesh in the Brillouin zone for density of state calculations.
  • Typical values for GOPlotBands are:
  • Truek-points along symmetry lines are used (see GTBZLines)
    Falsea list of k-points or k-points on a mesh of the Brillouin zone (see GTBZPointMesh) are used
  • This option is used by: GTBands ▫ GTPhMPBBands

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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The bands are calculated along a standard path with only a few points.

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With GOPlotBands False a list of single k-points can be provided.

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Calculate the bands for the calculation of density of states.

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