SYSTEM=ADAIS
ISTART=0
ICHARG=2
PREC=Accurate
 
# Electronic relaxation
ENCUT=520
EDIFF=1E-6
 
ISMEAR=0
SIGMA=0.01
NELMIN=5
 
# Ionic relaxation
NSW=50
EDIFFG=-1E-3
ISIF=3
 
IBRION=2
POTIM=0.5
#ISYM=0
#SYMPREC=1E-4
 
# Write flags
LWAVE=.FALSE.
LCHARG=.FALSE.
