corrdump

CORRelation DUMPer 2.81, by Axel van de Walle
   -h          Display more help
   -2=[real]   Maximum distance between two points within a pair
   -3=[real]   Maximum distance between two points within a triplet
   -4=[real]   Maximum distance between two points within a quadruplet
   -5=[real]   Maximum distance between two points within a quintuplet
   -6=[real]   Maximum distance between two points within a sextuplet
   -l=[string] Input file defining the lattice   (default: lat.in)
   -s=[string] Input file defining the structure (default: str.out)
  -pc          Print composition only
 -pcm          Print composition matrix only
 -sym          Just find space group
-clus          Just find clusters
   -c          Read clusters.out file instead of writing it
   -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
 -nop          Do not include point cluster(s)
  -wu=[string] Write Unrelaxed structure into specified file
 -rnd          Print correlation of the random state of the same composition as the input structure
 -eci=[string] Predict quantity using ECI in specified file
  -mi          Multiplicities are already included in ECI file
 -crf=[string] Select correlation functions (default: trigo)
  -nb          Print structure number