#SYSTEM
SYSTEM = Generated By Q_robot 

#ELEC
ISPIN = 1 
NELM = 60 
LREAL = AUTO 
ENCUT = 450 

#WRITE
LVHAR = F 
LCHARG = F 
LELF = F 
LWAVE = F 
LORBIT = 11 

#IONIC
ISYM = 2 
ISIF = 2 
EDIFFG = -0.03 
NSW = 500 

#START
ICHARG = 2 
GGA = PE 
ISTART = 0 
PREC = N 

#DIPLOLE
LDIPOL = T 
IDIPOL = 3 

#DOS
ISMEAR = 0 
SIGMA = 0.10 


#CAL_FREQ 
EDIFF = 1E-7 
IBRION = 5 
NFREE = 2 
POTIM = 0.015 
NWRITE = 2