core configuration
    METAGGA  = R2SCAN ! xc-functional
    ENCUT    = 650    ! plane wave kinetic energy cutoff
    KSPACING = 0.2    ! density of k-point mesh
    ISPIN    = 2      ! spin polarisation
    ISYM     = 0      ! symmetry

electronic configuration
    PREC     = Accurate
    ALGO     = Normal
    EDIFF    = 1e-06
    ISMEAR   = 0
    SIGMA    = 0.05
    NELM     = 200
    LASPH    = .TRUE.
    LMAXMIX  = 4

ionic configuration
    EDIFFG = -0.01
    NSW    = 400
    IBRION = 2
    ISIF   = 3

magnetism
    MAGMOM = 4*5 16*0 4*0
    LORBIT = 11

dispersion corrections
    LUSE_VDW = .TRUE.
    BPARAM   = 11.95
    CPARAM   = 0.0093

parallelism and performance
    NCORE   = 4
    !KPAR    = 2
    LREAL   = Auto
    ADDGRID = .TRUE.
