Crystal Structure

Load, save and modify crystal structure libraries

GTAllStructures — prints all structures that are currently installed within the list spcgrp.

GTExportXSF — exports structure data to .xsf format for visualisation.

GTGetStructure — displays an installed crystal structure.

GTInstallStructure — installs a new crystal structure.

GTImportCIF — imports relevant data from cif file.

GTLoadStructures — loads the content of the list spcgrp.

GTSaveStructures — saves the content of the list spcgrp.

GTClearStructures — removes content of spcgrp.

GTChangeCoord — changes coordinates of basis atoms to Cartesian coordinates.

Plot and manipulate crystal structures

GTClusterManipulate — manipulations a cluster in different ways.

GTPlotCluster — creates a 2D or 3D graphics object of the cluster.

GTPlotStructure — plots a crystal structure.

GTPlotStructure2D — plots a 2D crystal structure.

GTAtomsInCell — finds atoms in a region of a cluster.

Point and space group information

GTBravaisLattice — gives the lattice vectors of the crystal system.

GTCrystalData — provides information about crystal structures.

GTCrystalSystem — gives the crystal system of a group and vice versa.

GTGroupNotation — changes between notations.

GTLatticeVectors — generates lattice vectors.

GTShowSymmetryElements — produces a graphical representation of the symmetry elements.

GTSpaceGroups — gives the nomenclature of the 230 space groups.

Carbon nanostructures

GTBuckyBall — generates a cluster of C atoms representing buckminsterfullerene.

GTTubeParameters — calculates geometric properties of single wall carbon nanotubes.

GTTubeStructure — creates a single wall carbon nanotube.

spcgrp — saves the installed crystal structures