# VASP INCAR for molecular dynamics simulation
SYSTEM = Water MD NVE

# MD settings
IBRION = 0
NSW = 1000
POTIM = 1.0
TEBEG = 300
SMASS = -3  # NVE ensemble

# Electronic structure
ENCUT = 400
PREC = Normal
ISMEAR = 0
SIGMA = 0.1

# Output
LCHARG = .FALSE.
LWAVE = .FALSE.
