  System = 
  ISTART = 0
  ICHARG = 2
  ENCUT = 450
  PREC = Accurate
  ISIF  = 2
  EDIFF = 1E-4
  ISPIN = 2
  NSW = 50   
  IBRION = 2
  POTIM = 0.05
  EDIFFG = -0.03
  IVDW = 11
  GGA = RP


