GOEigenvectors

GOEigenvectors
is an option to control whether the eigenvectors will be calculated.

DetailsDetails

  • The Hamiltonians in GTBands are expressed in matrix form. To calculate the band structure a matrix eigenvalue problem has to be solved. Usually only the eigenvalues are calculated. For further investigations (symmetry analysis, partial density of states) also the eigenvectors have to be known.
  • Typical values for GOEigenvectors are:
  • TrueEigenvectors are calculated
    FalseEigenvectors are not calculated
  • This option is used by: GTBands

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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Set the k-path

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Only the eigenvalues are calculated

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The bands are calculated along a standard path with only a few points. The calculated eigenvalues are stored in bands, and the corresponding eigenvectors in wave.

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Eigenvectors at Γ:

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The first part contains the k-vector. The second part is a list of eigenvectors.

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A list of single k-points can be provided.

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We get the same eigenvectors for the Γ point.

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