SYSTEM = ATAT CuAu fixed-lattice teaching dataset
ENCUT=450
PREC=Accurate
EDIFF=1E-7
NELM=120
ISMEAR=1
SIGMA=0.1
IBRION=-1
NSW=0
ISPIN=1
LREAL=.FALSE.
LASPH=.TRUE.
LWAVE=.FALSE.
LCHARG=.FALSE.
NCORE=4
