GroupTheory`
GroupTheory`

GOBravais

GOBravais

is an option to decide if the lattice should be presented by a primitive cell or alternatively by a conventional cell with basis.

Details and Options

  • As an example the fcc lattice can be represented by its primitive cell with one atom per cell and the corresponding lattice vectors. It is also possible to describe the same lattice by a cubic unit cell, but 4 atoms in the basis.
  • Typical values for GOBravais are:
  • "Conventional"Provides the lattice vectors of the conventional cell and the positions of atoms in the basis.
    "Primitive"Provides the lattice vectors of the primitive cell.

Examples

Basic Examples  (2)

First, load the package:

For the primitive lattice only the corresponding lattice vectors are given:

For the conventional cell the cubic lattice vectors and the positions of the atoms are given:

GOData  (1)

If GOData-> "image" is used, the corresponding cell will be plotted.