GroupTheory`
GroupTheory`

GOStore

GOStore

is an option which controls the output of data to files.

Details and Options

  • Sometimes it is useful to store results of a calculation for usage in other investigations or to avoid a recalculation due to the large calculation time. GOStore is used in the electronic structure part of GTPack to control the output of band structures, density of states or eigenvectors (used for the construction of wave functions).
  • Typical values for GOStore are:
  • 0No output of data
    fileoutput of band structure or density of states to file
    {file1,file2}output of band structure to file1 and eigenvectors to file2

Examples

Basic Examples  (6)

First load the package:

The calculation of band structure and density of states of Cu are used as an example.

Read and parametrize the Hamiltonian

GOStore is an option of several commands in the electronic structure package.

GTBands  (1)

Only the bands will be stored.

Calculate and store the bands and the eigenvectors.

GTBandStructure  (1)

GTDensityOfStates  (1)

Store the calculated DOS.

GTDenstityOfStatesPlot  (1)

Store the calculated DOS.

GTDensityOfStatesRS  (1)

Read the real space tight-binding Hamiltonian for GaAs.

Store the calculated DOS.