 core configuration
     METAGGA  = R2SCAN ! xc-functional
     ENCUT    = 400    ! plane wave kinetic energy cutoff
     !KSPACING = 0.2    ! density of k-point mesh
     ISPIN    = 2      ! spin polarisation
     ISYM     = 0      ! symmetry

 electronic configuration
     PREC     = Normal
     ALGO     = Fast
     !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 = 36*5 144*0 36*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.
