There are two ways to specify this. Cartesian coordinates can be used

%BLOCK LATTICE_CART units

%ENDBLOCK LATTICE_CART

Where, for example, is the x-component of the second
lattice vector and is the z-component of the third
lattice vector and so on.

The supercell can also be defined in terms of the magnitudes of
the lattice vectors

%BLOCK LATTICE_ABC units

%ENDBLOCK LATTICE_ABC

, and are the magnitudes of , and and , and are the values of , and .

In both cases if [units] are not specified default units of Å are automatically used. However, angles must be specified in degrees.

2005-04-04