SYSTEM = CuAlO2 (vc-relax)

Start parameters for this Run:
  #ISTART: 0:from scratch 1:restart with the same Ecut
      2:restart with the same basis set 3:full restart
    ISTART = 0
  #ICHARGE: 0:Charge from wavef 1: CHGCAR 2:Atomic charge
          +10: Non-selfconsistent
    #ICHARGE = 1
  #INIWAV: Only for ISTART=0
    INIWAV = 1
  NWRITE = 2
  #PREC: High|Normal|Medium|Low
    PREC = High

Electronic Relaxation
  EDIFF = 1e-04  stopping-criterion for ELM
  EDIFFG = 1.0e-3
  #LREAL: .TRUE.|.FALSE.|A|O
    LREAL = .FALSE.
  #ENCUT = 200.00 eV
  #IALGO = 18 algorithm
  #NSIM = 4
  #NELM: Number of electronic steps
    #NELM = 60; NELMIN = 0; NELMDL = 3 # of ELM steps
  #BMIX = 2.0
  #TIME = 0.05

  #ISPIN: 1:Non-polarized 2:Spin-polarized
    ISPIN = 1
  #IDIPOL = 4
  #DIPOL = 0.00000 0.00000 0.00000
  #LDIPOL = .TRUE.

Ionic Relaxation
  #NSW: Number of ion steps
    NSW = 100
  POTIM = 0.5 fs  time-step for ion-motion
  TEBEG = 0000.0
  TEEND = 0000.0
  PSTRESS = 0.0 kBar
  #POMASS = 102.91
  #ZVAL = 11.0
  #ISIF: 0:Ion relax only 2:Cell fixed/Calc.Pressure
         3:VC-Relax
  ISIF = 3
  #IBRION: -1:Ion position fiexed 0:MD
            2:Conjugate Gradient
    IBRION = 2
  #ISYM: 0:Break symmetry 1,2:Keep symmetry
         2:More effecient memory use
    ISYM = 0
  SMASS = -3

DOS related values:
  SIGMA = 0.05 broad. in eV
  ISMEAR = 1