# Basic DFT calculation

SYSTEM = Si bulk calculation
ENCUT = 520
ISMEAR = 0
SIGMA = 0.05
EDIFF = 1E-6

# Electronic steps
NELM = 100
NELMIN = 4
ALGO = Normal

# Ionic relaxation
IBRION = 2
NSW = 100
ISIF = 3
EDIFFG = -1E-2

# Output
LWAVE = .FALSE.
LCHARG = .TRUE.
LORBIT = 11

# Parallelization
NCORE = 4
