SYSTEM=H2 matching6.3.2 gas reference
ENCUT=450
PREC=Accurate
EDIFF=1E-6
NELECT=2
NBANDS=8
ISPIN=1
ISMEAR=0
SIGMA=0.05
ALGO=Normal
NELM=160
IBRION=-1
NSW=0
ISYM=0
LREAL=.FALSE.
LASPH=.TRUE.
LWAVE=.FALSE.
LCHARG=.FALSE.
LSOL=.FALSE.
