SYSTEM   = Cu 2x2 4 layer O2, HSE06-1/2x vdW-DF2, single pont
GGA      = PE          # XC functional
LHFCALC  =.TRUE.       # Hartree-Fock calculation
HFSCREEN = 0.2         # Screening length of the range-seperated DF 0.3=HSE03 0.2=HSE06
AEXX     = 0.5         # Fraction of exact exchange

AGGAC    = 0.0         # required for vdWaals-DF2
LUSE_VDW = .TRUE.      # Use vdWaals
ZAB_VDW  = -1.8667     # This makes it vdW-DF2

LASPH    =.TRUE.       # Spherical corrections

PREC     = Accurate    # OptAlgo precision
PRECFOCK = Fast    # FFT grids used in the exact exchange routines 

#ALGO     = Eigenval    # Recalculate one electron energies and density of states from WAVECAR
ALGO     = Damped      # Used for Hartree-Fock calculations
TIME     = 0.2         # Speed with which the algorithm tries to converge, if converge issues occur, decrease this.
ENCUT    = 440         # Planewave cut-off

NELM     = 110         # Max N of SCF cycles
NELMIN   = 2           # Min N of SCF Cycles
#NELMDL   =-12          # Number of Pre SCF cycles

ICHARGE  = 1           # Restart from CHGCAR
ISTART   = 1           # Restart from WAVECAR
ISPIN    = 2           # Spin polarized
MAGMOM  = 16*0.5 2*4.0  # Innitial Magmoment, should be read from CHGCAR, 0.5 for Cu, 4.0 for O

ISYM     = 0           # Assume little symmetery (default=3 for HF)

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-5       # Convergence w.r.t. energy (eV)
#EDIFFG   =-0.005       # Convergence w.r.t. forces
#ADDGRID  =.TRUE.       # Support grid for the forces

LCHARGE  =.TRUE.       # if True write CHGCAR, if False: Don't write large, useless files; Set true for restats
LWAVE    =.TRUE.       # if True werite WAVECAR, if False: Don't write large, useless files; Set True for restarts 

NPAR     = 4           # Parallelization option; Default = Nr_Cores; optimum=sqrt(Nr_Cores) and int multpl of Nr_Cores
KPAR     = 2           # Defaul=1; ditribute k-Points over KPAR groups of cores, for this cell and 32 cores 2 is optimal
LPLANE   =.TRUE.       # Default=True; limit comunication during FFT's 
NSIM     = 4           # Default=4; number of band optimized at the same time