icamag

Enumates every symmetrically distinct way to occupy all atomic sites in
given supercell.
The input file (by default lat.in) should be in the ATAT format (see mmaps -h).
The user simply needs to list more than one atom (comma-separated) for each site
that could be occupied by more than one species.
Different sites can have different lists of species or even a single specie.

By default, the code is set up to model magnetism, in which case the 'species'
should just be the same specie with different spin values (e.g. Fe+3,Fe-3).
Only two spins values are supported in this version. The code keeps only one
configuration among those equivalent up to a global spin flip operation.

If the -nm option (nonmagnetic) is specified, then any number of species is
allowed and the check for equivalence under global spin flip is turned off.

The code outputs list of structures on the standard output,
with each structure (in ATAT format), preceded by its multiplicity.

The output of this code is typically used to implement the
Independent Cell Approximation or Zentropy, in which a local partition
function is obtained by summing over all configurations in one given supercell.