# SCF input for VASP # Note that VASP uses the FIRST occurence of a keyword SYSTEM = KC4P quasi-particle(low scaling) GW0, Meta-GGA MBJLDA PREC = Normal ENCUT = 400.000 IBRION = -1 NSW = 0 ISIF = 2 NELMIN = 2 EDIFF = 1e-08 EDIFFG = -0.02 VOSKOWN = 1 NBLOCK = 1 NWRITE = 1 NELM = 60 ALGO = Normal (blocked Davidson) NKREDX = 1 NKREDY = 1 NKREDZ = 1 ISPIN = 1 INIWAV = 1 ISTART = 0 NBANDS = 3894 ICHARG = 2 LWAVE = .TRUE. LCHARG = .TRUE. ADDGRID = .FALSE. ISMEAR = 0 SIGMA = 0.05 LREAL = Auto LSCALAPACK = .FALSE. RWIGS = 0.77 1.11 0.73 # Default options for parallel NPAR = 2