# DOS input for VASP # Note that VASP uses the FIRST occurence of a keyword SYSTEM = No title NPAR = 1 PREC = Accurate ENCUT = 500.000 IBRION = -1 NSW = 0 ISIF = 0 NELMIN = 2 EDIFF = 1.0e-05 VOSKOWN = 1 NWRITE = 1 NELM = 60 ALGO = Damped TIME = 0.4 ISPIN = 2 MAGMOM = 20*0 INIWAV = 1 ISTART = 0 ICHARG = 11 LWAVE = .FALSE. LCHARG = .FALSE. ADDGRID = .FALSE. ISMEAR = 0 SIGMA = 0.05 LREAL = .FALSE. LSCALAPACK = .FALSE. RWIGS = 1.98 1.45 1.02 NEDOS = 1001 EMIN = -1.0061999999999998 EMAX = 8.9938000000000002 # Default options for parallel NPAR = 64