SYSTEM = water-dimer-nci-density
ENCUT = 550
PREC = Accurate
EDIFF = 1E-6
EDIFFG = -0.02
IBRION = -1
NSW = 0
ISMEAR = 0
SIGMA = 0.05
LREAL = .FALSE.
LASPH = .TRUE.
LWAVE = .FALSE.
LCHARG = .TRUE.
NELM = 200
ALGO = Normal
ISYM = 0
IVDW = 12
NGXF = 180
NGYF = 180
NGZF = 180
