felec

Electronic free energy calculator 2.81, by Axel van de Walle
-dos=[string] DOS input file name (default: dos.out)
 -T0=[real]   Minimum temperature (default: 0)
 -T1=[real]   Maximum temperature (default: 2000)
 -dT=[real]   Temperature step (default: 100)
 -kb=[real]   Boltzman's constant (default: in eV/K)
 -pa          Output free energy per atom instead of per unit cell
 -sc=[real]   Correction factor if spectator ion are present
 -sd=[real]   Smooth DOS with a Gaussian this width
 -nf          Do not calculate free energy
-sig=[int]    Number of significant digits to print in output files
  -h          Display more help
  -d          Use all default values