SYSTEM=H2 bond-boost short NVE teaching comparison
ENCUT=400
PREC=Accurate
EDIFF=1e-6
ISPIN=1
ISYM=0
ISMEAR=0
SIGMA=0.05
NELM=120
ALGO=Normal
LREAL=.FALSE.
LASPH=.TRUE.
IBRION=0
POTIM=0.25
NSW=20
ISIF=2
MDALGO=0
SMASS=-3
TEBEG=300
TEEND=300
ICHAIN=6
IOPT=0
NBAS=1
BALIST=1
RMDS=4
QRR=0.5
PRR=0.9
RCUT=1.2
DVMAX=0.02
LBBM=.FALSE.
NCORE=1
LWAVE=.FALSE.
LCHARG=.FALSE.
RANDOM_SEED=12345 0 0
