GroupTheory`
GroupTheory`

GOBands

GOBands

is an option to select a number of bands for the calculation of the density of states.

Details and Options

  • The bands are simply selected by number.
  • Typical values for GOBands are:
  • "All"all bands are included
    nbands 1 ,..., n are included
    {i,j,...,k}only band i, j, ..., k are included

Examples

Basic Examples  (2)

First load the package:

The density of states of GaAs is used as an example. The DOS is first calculated in k-space. The Hamiltonian for the calculation is already prepared. The Hamiltonian is prepared with a sp^3s^* basis.

The density of states in k-space can be calculated now.

All bands are included

The first 4 bands are included