phb

PHase Boundary 3.48, by Axel van de Walle
     -h            Help (Default: Off)
    -mu=[real]     initial chemical potential (Default: Off)
     -T=[real]     initial temperature (Default: Off)
   -dmu=[real]     chemical potential adjustment step (Default: Off)
    -dT=[real]     temperature step (Default: Off)
   -mug=[real]     Gap between the mu in phase 1 and mu in phase 2 (default: 0)
  -ltep=[real]     threshold free energy precision to use MC instead of LTE (in units of T) 
                     (default: always MC)
    -er=[real]     enclosed radius (Default: 0)
   -gs1=[int]      ground state for phase #1 (Default: -2)
   -gs2=[int]      ground state for phase #2 (Default: -2)
   -is1=[string]   File name containing a user-specified initial configuration (replaces -gs1) 
                     (Default: )
   -is2=[string]   File name containing a user-specified initial configuration (replaces -gs2) 
                     (Default: )
    -d1=[string]   directory for phase #1 (default: current dir)
    -d2=[string]   directory for phase #2 (default: current dir)
   -lro            print long range order parameter (Default: Off)
 -tstat=[real]     Critical value of the test for discontinuity (Default: 3)
  -smax=[real]     Maximum step (experimental feature) (Default: 1e+50)
-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)
     -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)
    -dn            Go down in temperature (Default: Off)
    -dx=[real]     Concentration Precision (Default: 0)
    -ks=[string]   Specify how k space ECI are calculated (e.g. -ks=cs). (Default: )