pdef

Point DEFect generator 3.50, by Axel van de Walle
  -l=[string]   Input file defining the lattice (default: lat.in)
  -s=[string]   Input file defining the undefected structure (default: str.out)
  -p=[string]   Prefix of the directories that will contain the defected structures (Default pdef)
 -er=[real]     Minimum distance between point defects (Default: 0.00000)
-sig=[int]      Number of significant digits printed (default: 5)
  -h            Display more help (Default: Off)