gce

Generalized Cluster Expansion 3.48, by Axel van de Walle
   -h            Display more help (Default: Off)
   -2=[real]     Maximum distance between two points within a pair (Default: 0)
   -3=[real]     Maximum distance between two points within a triplet (Default: 0)
   -4=[real]     Maximum distance between two points within a quadruplet (Default: 0)
   -5=[real]     Maximum distance between two points within a quintuplet (Default: 0)
   -6=[real]     Maximum distance between two points within a sextuplet (Default: 0)
   -l=[string]   Input file defining the lattice   (default: lat.in)
   -s=[string]   Input file defining the structure (default: str.out)
  -pc            Print composition only (Default: Off)
 -sym            Just find space group (Default: Off)
-clus            Just find clusters (Default: Off)
   -c            Read clusters.out file instead of writing it (Default: Off)
   -z=[real]     Tolerance for finding symmetry operations (default: 1e-3)
 -sig=[int]      Number of significant digits printed (default: 5)
 -noe            Do not include empty cluster (Default: Off)
 -nop            Do not include point cluster(s) (Default: Off)
 -rnd            Print correlation of the random state of the same composition as the input 
                     structure (Default: Off)
 -eci=[string]   Predict quantity using ECI in specified file (Default: )
  -mi            Multiplicities are already included in ECI file (Default: Off)
 -crf=[string]   Select correlation functions (default: trigo)
 -gce=[string]   Select type of Generalized Cluster Expansion (default: tensor)
  -nb            Print structure number (Default: Off)