 SYSTEM = H2O vibration
 PREC = A
# IBRION = 1 ; NSW = 10 ; NFREE = 2 ; EDIFFG = -1E-4
 ENMAX = 400
 ISMEAR = 0    # Gaussian smearing
 IBRION = 6    # finite differences with symmetry
 NFREE = 2     # central differences (default)
 POTIM = 0.015 # default as well
 EDIFF = 1E-8 
 NSW = 1       # ionic steps > 0

# NBANDS = 4
