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)
avdw@alum.mit.edu Wed, Dec 6, 2023 12:55:16 PM