felec

Electronic free energy calculator 3.48, 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 (Default: Off)
 -sc=[real]     Correction factor if spectator ion are present (Default: 1)
 -sd=[real]     Smooth DOS with a Gaussian this width (Default: 0)
 -nf            Do not calculate free energy (Default: Off)
-sig=[int]      Number of significant digits to print in output files (Default: 5)
  -h            Display more help (Default: Off)
  -d            Use all default values (Default: Off)