mmaps

MIT Ab initio Phase Stability (MAPS) code 3.48, by Axel van de Walle
  -h            Display more help (Default: Off)
  -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. 
                     (Default: 0)
 -cr=[string]   Concentration region input file (Default: crange.in)
 -he=[real]     Highest predicted energy, above ground state hull, allowed when generating 
                     structures (default: no limit)
 -mv=[int]      Maximum volume (number of atom per unit cell) allowed when generating structures 
                     (default: no limit)
 -mw=[real]     Maximum weight allowed when try to match ground states (Default: 16)
 -2d            Find supercells along a and b axes only (Default: Off)
  -p=[string]   Predictor plugins to use (examples: -p=es or -p=es_cs) (Default: )
 -ks=[string]   same as -p (Default: )
 -fa=[string]   Select fitting algorithm (default: built-in, alternative: -fa=bayesian)
 -xo=[string]   input additional parameter for extension (Default: )
-crf=[string]   Select correlation functions (default: trigo)
 -pn=[string]   Property to cluster expand (default: energy)
 -ig            Ignore whether cluster expansion predicts correct ground states (Default: Off)
 -pa            Quantity to expand is already per atom (Default: Off)
  -q            Quiet mode (do not print status to stderr) (Default: Off)
-sig=[int]      Number of significant digits to print in output files (Default: 6)
  -d            Use all default values (Default: Off)


[email protected] Wed, Dec 6, 2023 12:55:16 PM