Cell panel
The Cell
panel is used to set propeties related with the unit cell.
Cell
In the Cell parameters box, lattice parameters are input in by three axes: a, b, and c ( unit of Å).
Transformation of the unit cell
Transform crystal axes by specifying 4 × 4 matrix (first 3x3 is rotation and the last 3 × 1 is translation).
Select the objects.
Input the transformation matrix.
Clicking the Apply Transform.
The transformation matrix is also used to convert primitive lattice to complex lattice.
Supercell
Supercell is special case of transformation. In this case, the rotation matrix is a diagonal matrix.
For example, we make a [4, 4, 1] supercell for a Au (111) surface.
Boundary
Atoms are searched within a boundary defined by ranges along a, b, and c axes.
Search atoms outside the boundary is controled by the search
keyword in Bondsetting
.