# SCF input for VASP # Note that VASP uses the FIRST occurence of a keyword SYSTEM = (Electronics) (GeSi)4 1010 final PREC = Normal ENCUT = 310.294 IBRION = -1 NSW = 0 ISIF = 0 NELMIN = 1 EDIFF = 1.0e-05 VOSKOWN = 1 NWRITE = 2 IMIX = 0 NELM = 1 ALGO = Normal (blocked Davidson) ISPIN = 1 INIWAV = 1 ISTART = 0 ICHARG = 2 LWAVE = .FALSE. LCHARG = .TRUE. ADDGRID = .FALSE. ISMEAR = 1 SIGMA = 0.2 LREAL = Auto LSCALAPACK = .FALSE. RWIGS = 1.11 1.22 # Default options for parallel NPAR = 4