Options

Sometimes an option is not specific to one of the subsections below.

General Options

GOColorScheme — defines a color scheme for plots

GODecimals— controls number of fractional digits in tables

GODimension — Specifies the dimension of space used

GOFast — specifies if input is validated

GOFastValue — global variable defining the default of GOFast

GOOverWrite — reset sample datasets of documentation

GOTolerance — defines a maximal allowed deviation for numerical comparisons

GOVerbose — Controls the output of additional information

Basic group theory

GOClasses — decides if all character in a class or only that of a class representant is calculated

GOGroupOrder — Specifies the used group order in the algorithm

GOHarmonics — Decides whether real or complex spherical harmonics are used

GONotation — Specifies the group notation to Schoenfliess or Herman-Mauguin notation

GORepresentation — specify the used representation

GOSelectCase— decides which connections between groups are shown

Representation Theory

GOlmax — maximum number of quantum number l

GONames —controls names of irreducible representations

GOIrepNotation — Specifies the irreducible representation notation

GOReality — additional information about reality of representations

Representation Theory of Space Groups

GOGeneralPositionIreps — controls if the full space group or the space group of the wave vector k should be taken into account

Lattices and Crystal structures, k-space

GOBonds — Decides if bonds are plotted

GOBravais — decides if primitive or conventional cell is used

GOBZ — decides if Brillouin zone is plotted

GOBZPath — decides if Brillouin zone path is plotted

GOCompact — fixes output form of adjacency matrix

GOCoordinateSystem — decides about plot of a coordinate system

GOData — decides between lattice vectors or plot of the cell

GODirection — option to indicate a direction i a plot

GOLattice — Provides rules for the rescaling of lattice constants

GOMatrixType — information about structure of matrix

GOMethod — Method to manipulate cluster

GOOutput— defines output style of Voronoi cell

GOPlot — decides if graphical output is provided

GOPlotStyle — decides on embedding of connection graph

GOPosition — decides about origin in cluster construction

GOSort — sorting in canonical order

GOStructures— search for structures by formula

GORegionFunction— decides if Fermi surface should be restricted to the Brillouin zone

GOTable — decides about tabular output of crystal structures and space groups

GOSphere — plot of circumscribing sphere

Band structures

GOBands — Selects a number of bands for the calculation of the density of states

GOEigenvectors — decides if eigenvectors will be calculated

GOFermiEnergy — decides about the calculation of the density of states

GOLabelShift— shifts labels in band structure plot

GOPlotBands — controls calculation of energy bands in the Brillouin zone

GOPlotDos — decides if DOS, integrated DOS or both will be presented

GOPhotonic — Distinguishes between the calculation of an electronic or a photonic band structure

GOStore — controls output to data files

GOShift —shifts energies in a band structure

GOTbOrthogonal — type of tight-binding eigenvalue problem

Pseudopotential Theory

GOBondCharges — decides if bond charges should be used

Photonics

GODCMethod — defines the method to calculate the Fourier transform

GOPhPol —defines polarization in the calculation of a photonic band structure

GOPixel — decides if pixels are used in the calculation of the Fourier transform

GOTransformation — decides about transformation of fields

Tight Binding

GOTbBasis — controls construction of two-center tight-binding parameters

GOTbEquivalence — renaming of equivalent atoms in basis

GOTbLattice — Provides detailed information for the construction of tight-binding Hamiltonians

GOList — style of Hamiltonian listing

GOTbRule — defines substitution rules for the construction off two-center tight-binding Hamiltonians

Molecules

GOMolPlot — decides if plot of molecule is presented

Vibrations

GOSpecMode — selects type of spectroscopy