memc2

Multicomponent Eazy Monte Carlo Code 2.81, by Axel van de Walle
     -h          Help
    -er=[real]   Set the system  size so that a sphere of that radius must fit inside the simulation cell
    -cf=[string] Control file specifying the ranges of temperature and chem. pot. scanned (default: control.in)
    -eq=[int]    Number of equilibration passes
     -n=[int]    Number of averaging passes
    -tp=[real]   Target precision (optional, replaces -n and -eq)
    -aq=[int]    Quantity that must meet the tolerance specified by -tp. 1: energy (default), 2: long-range order, 3-: point correlations
    -gs=[int]    which ground state to use as initial config (-gs=-1 to use random state)
     -k=[real]   Boltzman's constant (conversion factor from T to energy)
   -keV          Set Boltzman's constant to 8.617e-5 so that temperature is in K when energy is in eV
   -g2c          Convert output to canonical rather than grand-canonical quantities
  -phi0=[real]   initial (grand) canonical potential (default: from mean field approx.)
 -tstat=[real]   Critical value of the test for discontinuity
   -mft=[real]   Mean field threshold (if |lte-mf|<mft, use mf values instead of mc)
  -mftq=[int]    Quantity that must meet the tolerance specified by -mft.0: phi (default) , 1: energy , 2: long-range order, 3-: concentrations
-sigdig=[int]    Number of significant digits printed
     -q          Quiet (do not write to stdout)
     -o=[string] Output file (default: mc.out)
   -oss=[string] Output snapshot file (default: mcsnapshot.out)
  -opss=[string] Output periodic snapshot files (default: do not write)
    -sd=[int]    Seed for random number generation (default: use clock)
    -dl          Drop the last data point of each inner loop (after the phase transition occured)
    -is=[string] File name containing a user-specified initial configuration (replaces -gs)
    -hf          Shift all coordinates by half a grid point in scan (e.g. 2 steps in [0,1] give 0.25,0.75 instead of 0,0.5)
    -il          Include last coordinate in scan (e.g. 3 steps in [0,1] gives 0,0.5,1 instead of 0,0.333,0.666)
    -ts=[string] Triangular scanning. Specify list of composition axes (e.g. -ts=1,2).
   -crf=[string] Select correlation functions (default: trigo)
    -df=[int]    Max distance between flips (in unit cells) in grand-canonical mode
    -rw          Use random walk algorithm (experimental)
   -fdT=[real]   Temperature step for finite differences
  -fdmu=[real]   Chemical potential step for finite differences
    -ks=[string] Specify how k space ECI are calculated (e.g. -ks=cs).