dfpt_INCAR

ALGO = Normal
LEPSILON = True  # DFPT Calculation
ISYM = -1  # Symmetry off for DFPT (if using NCORE)
EDIFF = 1e-07
EDIFFG = -0.003
ENCUT = 300  # Need ENCUT/ENMAX tag for (dfpt-)generate-converge
GGA = Ps  # PBEsol GGA DFT Functional
IBRION = 8  # Calculate second derivatives with DFPT
ISIF = 2  # Keep cell volume fixed for DFPT calcs
ISMEAR = 0

ISPIN = 2  # can be turned off for non-magnetic systems
LASPH = True
LORBIT = 11
LREAL = False  # Reciprocal space projections for accurate forces
LWAVE = True
NEDOS = 2000
NELM = 100
NSW = 1  # One ionic step
PREC = Accurate
SIGMA = 0.05

# Parallelisation settings:
KPAR = 2
NCORE = 6