SYSTEM   = Cu 2x2 4 layer O2, Pre PBE vdw-DF2 for HSE06-1/2x vdW-DF2
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 param makes it vdW-DF2	

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    = 440         # Planewave cut-off

NELM     = 500         # Max N of SCF cycles
NELMIN   = 4           # Minkum N of SCF Cycles
NELMDL   =-12          # Number of 'pre cycles' for the SCF

ICHARGE  = 2           # Start from scratch
ISPIN    = 2           # Spin polarized
MAGMOM   = 16*0.5 2*4.0 # Initial magnetic moment, 0.5 for Cu, 4.0 for O

ISYM     = 0           # Symmetry = 0 = use minimal symmetry -1 = turn it off

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 for Ionic Relaxation
#ADDGRID  =.TRUE.       # Support grid for the forces

LCHARGE  =.TRUE.       # if True Write to file, if False Don't write large files
LWAVE    =.TRUE.       # if True Write to file, if False Don't write large files

NPAR     = 4           # Parallelization option, best option NPAR~=sqrt(Nr_Cores) Make sure it is a multiple of Nr_Cores
KPAR     = 2           # K-Point treated in Parallel, Distributes the k points over KPAR groups of KPoints, his cell and 32 cores 2 is opt
LPLANE   =.TRUE.       # Reduce Comunication during FFT's, If True: Make duse NGZ > 3*Nr_Cores/NPAR 
NSIM     = 4           # Nr of Bands that are optimized in parallel,