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mmaps

MIT Ab initio Phase Stability (MAPS) code 2.81, by Axel van de Walle
  -h          Display more help
  -l=[string] Input file defining the lattice (default: lat.in)
  -z=[real]   Tolerance for finding symmetry operations (default: 1e-3)
  -c=[real]   Exponent of the order of complexity (default: 3)
  -t=[int]    Time between disk reads in sec (default: 10 sec)
  -m=[int]    Maximum number of points in cluster (default 4)
  -g=[int]    Extend ground state search up to structures having at least that many atoms.
 -cr=[string] Concentration region input file
 -he=[real]   Highest predicted energy, above ground state hull, allowed when generating structures (default: no limit)
 -2d          Find supercells along a and b axes only
  -p=[string] Predictor plugins to use (examples: -p=es or -p=es_cs)
 -ks=[string] same as -p
 -fa=[string] Select fitting algorithm (default: built-in)
-crf=[string] Select correlation functions (default: trigo)
 -pn=[string] Property to cluster expand (default: energy)
 -ig          Ignore whether cluster expansion predicts correct ground states
 -pa          Quantity to expand is already per atom
  -q          Quiet mode (do not print status to stderr)
-sig=[int]    Number of significant digits to print in output files
  -d          Use all default values


avdw@alum.mit.edu Mon Jun 22 11:08:18 CDT 2009