PREC = Normal    ! standard precision 
ENCUT = 520
ISMEAR = 0 
SIGMA = 0.1

IBRION = 0       ! standard molecular dynamics (MD)
NSW = 500        ! 500 steps
POTIM = 0.5      ! timestep 0.5 fs
ISYM = 0         ! no imposed symmetry for MD

SMASS = 0
TEBEG = 2000     ! temperature at beginning
TEEND = 2000     ! temperature at end 

NBANDS = 8
