GroupTheory`
GroupTheory`

GOEigenvectors

GOEigenvectors

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

Details and Options

  • 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

Examples

Basic Examples  (1)

First load the package:

Set the k-path

Only the eigenvalues are calculated

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.

Eigenvectors at Γ:

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

A list of single k-points can be provided.

We get the same eigenvectors for the Γ point.