ALGO = Fast EDIFF = 1E-6 IBRION = 2 EDIFFG=-1E-2 ISMEAR = 0 ISPIN = 2 LASPH = True NEDOS=5000 LORBIT = 11 LREAL = Auto NELM = 100 #LAECHG = .TRUE. NSW=200 POTIM=0.2 PREC = Accurate SIGMA = 0.05 ENCUT=450 IDIPOL=3 LDIPOL=.TRUE. LWAVE=.FALSE. LCHARG=.FALSE. NPAR=10 KPAR=5