SYSTEM   = Al(111)-2x2-4Layer + O2 single point HSE03-1/3X@RPBE
GGA      = RP          ! XC functional
#LHFCALC  =.TRUE.       ! Hartree-Fock calculation
#HFSCREEN = 0.3         ! Screening length of the range-seperated DF
#AEXX     = 0.333333333 ! Fraction of exact exchange
LASPH    =.TRUE.       ! Spherical corrections

PREC     = Accurate    ! OptAlgo precision

ALGO     = Conjugate   ! Recommended when doing spin polarization due to convergence issues
#ALGO     = Damped      ! Used for Hartree-Fock calculations
TIME     = 0.2         ! Speed with which the algorithm tries to converge
ENCUT    = 400         ! Planewave cut-off

NELM     = 500         ! Max N of SCF cycles
NELMIN   = 4           !
NELMDL   =-12          !

ICHARGE  = 2           ! Start from scratch
ISPIN    = 2           ! Spin polarized
ISYM     = 0
MAGMOM   = 16*0.5 2*4.0 ! Initial magnetic moment

IBRION   =-1           ! Single point

ISMEAR   = 1           ! Methfessel-Paxton smearing (1st order)
SIGMA    = 0.2         ! Smearing width (eV)

NSW      = 0           ! Maximum of ionic steps
EDIFF    = 1.E-9       ! Convergence w.r.t. energy (eV)
#EDIFF    = 1.E-5
EDIFFG   =-0.005       ! Convergence w.r.t. forces
#ADDGRID  =.TRUE.       ! Support grid for the forces

LCHARGE  =.TRUE.       ! Don't write large, useless files
LWAVE    =.TRUE.       ! Don't write large, useless files

NPAR     = 2           ! Parallelization option
KPAR     = 1           !
LPLANE   =.TRUE.       !
NSIM     = 4           !