SYSTEM = H2O vibration

PREC   = Accurate  ! recommended for computing forces
ENCUT  = 520
ISMEAR = 0    
SIGMA  = 0.1

IBRION = 6     ! finite differences with symmetry
NFREE  = 2     ! central differences (default)
POTIM  = 0.015 ! step size (default)

EDIFF  = 1E-8  ! convergence criterion
NSW    = 1     ! ionic steps > 0

NBANDS = 6
