Eazy Monte Carlo Code 3.48, by Axel van de Walle
-h Help (Default: Off)
-mu0=[real] initial chemical potential (Default: Off)
-T0=[real] initial temperature (Default: Off)
-mu1=[real] final chemical potential (Default: Off)
-T1=[real] final temperature (Default: Off)
-dmu=[real] chemical potential step (Default: Off)
-dT=[real] temperature step (Default: Off)
-db=[real] inverse temperature step (Default: Off)
-cm Set Canonical mode (Default: Off)
-x=[real] Set concentration (Default: Off)
-abs take chemical potentials as absolute quantities (as in mc.out) (Default: Off)
-phi0=[real] initial (grand) canonical potential (Default: Off)
-er=[real] set the system size so that a sphere of that radius must fit inside the
simulation cell (Default: 0)
-eq=[int] number of equilibration passes (Default: -1)
-n=[int] number of averaging passes (Default: -1)
-dx=[real] Target precision for the average concentration (optional, replaces -n and -eq)
(Default: 0)
-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)
(Default: -2)
-innerT inner loop over T (Default: Off)
-tstat=[real] Critical value of the test for discontinuity (Default: 3)
-sigdig=[int] Number of significant digits printed (Default: 6)
-q Quiet (do not write to stdout) (Default: Off)
-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)
-k=[real] Boltzman's constant (conversion factor from T to energy) (Default: 1)
-keV Set Boltzman's constant to 8.617e-5 so that temperature is in K when energy is in
eV (Default: Off)
-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)
(Default: Off)
-g2c Convert output to canonical rather than grand-canonical quantities (Default:
Off)
-is=[string] File name containing a user-specified initial configuration (replaces -gs)
(Default: )
-ks=[string] Specify how k space ECI are calculated (e.g. -ks=cs). (Default: )
avdw@alum.mit.edu Wed, Dec 6, 2023 12:55:16 PM