GroupTheory`
GroupTheory`

GTBravaisLattice

GTBravaisLattice[crystal system]

gives the lattice vectors of the crystal system.

Details and Options

  • The command keeps the form of the previous version, but was modified internally.
  • For the conventional cell lattice vectors and the basis atoms are given. If the primitive cell is preferred only the lattice vectors are returned.
  • The input crystal system has to be of the form {name, type} like {"Cubic","cP"} for primitive cubic lattice.
  • All possible values are:
  • {{"Triclinic", "aP"}, {"Monoclinic", "mP"}, {"Monoclinic", "mC"}, {"Orthorhombic", "oP"}, {"Orthorhombic", "oC"}, {"Orthorhombic", "oI"}, {"Orthorhombic", "oF"}, {"Tetragonal", "tP"}, {"Tetragonal", "tI"}, {"Hexagonal", "hP"}, {"Rhombohedral", "hR"}, {"Cubic", "cP"}, {"Cubic", "cF"}, {"Cubic", "cI"}}
  • The following options can be given:
  • GOBravais "Conventional"Decides if the lattice should be presented by a primitive cell or conventional cell
    GOData "Basis"Decides if the lattice vectors or a picture of the cell is provided.
    GOCoordinateSystemTrueDecides if coordinate system is plotted.
    GOImage{a,b,c,α,β,γ}Initial values for the plot.
    FontSize20Font size for the labels.
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 6.3

Examples

open allclose all

Basic Examples  (2)

First, load the package:

Then run the example:

Options  (3)

GOBravais  (1)

The option decides if the primitive or the conventional cell is investigated.

Therefore the volume of the conventional cell is four times larger as the primitive cell.

GOData  (1)

If GOData->"Image" is used, the cell is plotted.

GOCoordinateSystem  (1)

The coordinate system can be switched off.