ENCUT = 409.821
IBRION = 5
ISIF = 2
ISMEAR = 1
ISPIN = 2
LCHARG = False
LREAL = Auto
LWAVE = False
MAGMOM = 5*5
NFREE = 2
NSW = 191
POTIM = 0.01
PREC = Accurate
SIGMA = 0.2
