phb

PHase Boundary 2.81, by Axel van de Walle
     -h          Help
    -mu=[real]   initial chemical potential
     -T=[real]   initial temperature
   -dmu=[real]   chemical potential adjustment step
    -dT=[real]   temperature step
   -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
   -gs1=[int]    ground state for phase #1
   -gs2=[int]    ground state for phase #2
    -d1=[string] directory for phase #1 (default: current dir)
    -d2=[string] directory for phase #2 (default: current dir)
 -tstat=[real]   Critical value of the test for discontinuity
  -smax=[real]   Maximum step (experimental feature)
-sigdig=[int]    Number of significant digits printed
     -q          Quiet (do not write to stdout)
     -o=[string] Output file (default: mc.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)
    -dn          Go down in temperature
    -dx=[real]   Concentration Precision
    -ks=[string] Specify how k space ECI are calculated (e.g. -ks=cs).