GROUP THEORY SYMBOL

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.

DetailsDetails

  • 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.
  • This option is used by: GTBravaisLattice

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First, load the package:

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Volume of the primitive unit cell:

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The conventional cell of the fcc lattice contains 4 atoms.

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

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