# Explicit k-points input for VASP # Note that VASP uses the FIRST occurence of a keyword SYSTEM = Si81N2O160 Meta-GGA MBJLDA GPU PREC = Normal ENCUT = 400.000 IBRION = -1 NSW = 0 ISIF = 0 NELMIN = 2 EDIFF = 1.0e-05 VOSKOWN = 1 NWRITE = 1 NELM = 300 METAGGA = MBJ LASPH = .TRUE. LMIXTAU = .TRUE. ALGO = Damped TIME = 0.4 ISPIN = 1 INIWAV = 1 ISTART = 0 NBANDS = 1164 ICHARG = 1 LWAVE = .FALSE. LCHARG = .FALSE. ADDGRID = .FALSE. LREAL = Auto LSCALAPACK = .FALSE. RWIGS = 1.11 0.73 0.75 # Default options for parallel NPAR = 4