GROUP THEORY SYMBOL
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:
-
True Eigenvectors are calculated False Eigenvectors are not calculated - This option is used by: GTBands
ExamplesExamplesopen allclose all
Basic Examples (1)Basic Examples (1)
In[1]:= |
In[2]:= |
In[3]:= |
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.
The first part contains the k-vector. The second part is a list of eigenvectors.
A list of single k-points can be provided.
In[10]:= |