ALGO = Normal
EDIFF = 1e-06
EDIFFG = -0.01
ENCUT = 400
GGA = RP
IBRION = 2
ICHARG = 1
ISIF = 3
ISMEAR = 0
ISPIN = 2
LORBIT = 11
LREAL = Auto
LWAVE = False
MAGMOM = 4*0.6
NCORE = 8
NELM = 100
NSW = 99
PREC = Accurate
SIGMA = 0.05
