SYSTEM = lithiation-li-si16
ENCUT = 550
PREC = Accurate
EDIFF = 1E-6
EDIFFG = -0.02
NSW = 120
IBRION = 2
ISIF = 3
ISMEAR = 0
SIGMA = 0.05
LREAL = .FALSE.
LASPH = .TRUE.
LWAVE = .FALSE.
LCHARG = .FALSE.
NELM = 200
ALGO = Normal
ISYM = 0
POTIM = 0.2
ISPIN = 2
MAGMOM = 1 16*0
AMIX = 0.2
BMIX = 0.0001
