# Step: DFT Optimization
PREC    = Accurate
ENCUT   = 500
EDIFF   = 1e-6
EDIFFG  = -0.001
IBRION  = 2
ISIF    = 3
ISYM    = 2
NSW     = 300 
ISMEAR  = 0
SIGMA   = 0.1
POTIM   = 0.1
PSTRESS = 0.001
LREAL   = False
NPAR    = 4
NSIM    = 4
ALGO    = Normal
IALGO   = 48
ISTART  = 0
LCHARG  = .FALSE.
LPLANE  = .TRUE.
LWAVE   = .FALSE.
