User Guide#
The Supercell step builds an na x nb x nc supercell of the current periodic
system: the cell is multiplied along each axis and the atoms and their bonds are copied
into each new cell. A structure with symmetry is first expanded to P1.
The supercell can overwrite the current configuration (the default), be added as a new
configuration of the current system, or be put in a new system, as in SEAMM’s other
steps that make structures; the original is left unchanged in the latter two cases. By
default the names are kept – a new system or configuration takes the current one’s
name – or the configuration can be named after the supercell, e.g. 2 x 2 x 1
supercell; the system’s name is asked for only when a new system is made.