Electronic Structure

Calculations of Band Structures

GTBands — calculates the band energies for a Hamiltonian at certain k-points.

GTBandsPlot — plots bands from a file.

GTBandsPlotImprove — improves the labeling with irreducible representations in a band structure plot.

GTBandStructure — calculates and plots the band structure for a Hamiltonian.

GTFatBandsPlot — plots a band structure with fat bands (TB Hamiltonians):

Calculations of Density of States

GTDensityOfStates — calculates and plots the density of states.

GTDensityOfStatesPlot — calculates the DOS from a band structure.

GTDensityOfStatesRS — calculates the density of states of a real space Hamiltionian.

GTFermiSurface — calculates a Fermi surface.

GTFermiSurfaceCut — calculates a cut cut through the Fermi surface.

GTPartialDOS — calculates and plots DOS and partial DOS (TB Hamiltonians).

Group Theory and Band Structures

GTCompatibility — calculates the compatibility relations of two point groups.