SYSTEM = nh3-vtst-dimer
ENCUT = 550
PREC = Accurate
EDIFF = 1E-6
EDIFFG = -0.02
NSW = 100
ISIF = 2
ISMEAR = 0
SIGMA = 0.05
LREAL = .FALSE.
LASPH = .TRUE.
LWAVE = .FALSE.
LCHARG = .FALSE.
NELM = 150
ALGO = Normal
ISYM = 0
IBRION = 3
POTIM = 0
ICHAIN = 2
IOPT = 2
DdR = 0.01
