nbands_INCAR

ALGO = Normal
NBANDS = 120 # Include NBANDS flag in INCAR
LOPTICS = True # Calculate frequency-dependent dielectric function
CSHIFT = 1e-6 # Less absorption broadening for easier spectrum comparisons
EDIFF = 1e-07
ENCUT = 300 # Previously converged ENCUT
GGA = Ps # Use PBEsol to get estimate of converged NBANDS value
IBRION = -1
ISMEAR = -5 # Best convergence wrt kpoints for optics/DOS calculations (won't work with a 1x1x1 k-grid!)
ISPIN = 2
LORBIT = 11
LREAL = False # Reciprocal space projection required for LOPTICS calc
NEDOS = 2000
NELM = 100
NSW = 0
PREC = Accurate
SIGMA = 0.05

# Parallelisation settings:
KPAR = 2
NCORE = 6