emc2

Eazy Monte Carlo Code 2.81, by Axel van de Walle
     -h          Help
   -mu0=[real]   initial chemical potential
    -T0=[real]   initial temperature
   -mu1=[real]   final chemical potential
    -T1=[real]   final temperature
   -dmu=[real]   chemical potential step
    -dT=[real]   temperature step
    -db=[real]   inverse temperature step
    -cm          Set Canonical mode
     -x=[real]   Set concentration (implies -cm)
   -abs          take chemical potentials as absolute quantities (as in mc.out)
  -phi0=[real]   initial (grand) canonical potential
    -er=[real]   set the system  size so that a sphere of that radius must fit inside the simulation cell
    -eq=[int]    number of equilibration passes
     -n=[int]    number of averaging passes
    -dx=[real]   Target precision for the average concentration (optional, replaces -n and -eq)
    -aq=[int]    Alternative quantity that must meet the tolerance specified by -dx. 0: energy, 1: concentration (default), 2: long-range order, 3- correlations
    -gs=[int]    which ground state to use as initial config (-gs=-1 to use random state, c=1/2)
-innerT          inner loop over T
 -tstat=[real]   Critical value of the test for discontinuity
-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)
     -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
    -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)
   -g2c          Convert output to canonical rather than grand-canonical quantities
    -is=[string] File name containing a user-specified initial configuration (replaces -gs)
    -ks=[string] Specify how k space ECI are calculated (e.g. -ks=cs).