!Initialization
ISTART = 0     !new calculation (ignore any previous results in the directory)
ICHARGE = 2    !take superpositio of atomic charge densities

!Electronic optimalization
PREC = Accurate
ENCUT = 350
NCORE = 4
ISMEAR = 1; SIGMA = 0.2
ISPIN = 1        !=2: spin-polarized collinear calculation 

NBANDS = 648

!Ionic relaxation
#IBRION = 1
#ISIF = 8         !8, relax atom positions and cell volume
#NSW = 100
#NELMIN = 6
#LREAL=Auto
NELM=10
EDIFFG = -0.01   !forces smaller than 0.01 A/eV
EDIFF = 1E-7