# SCF input for VASP # Note that VASP uses the FIRST occurence of a keyword SYSTEM = dummy process for control only one TSS job PREC = Normal ENCUT = 400.000 IBRION = 0 NSW = 100000000 ISIF = 2 NELMIN = 2 EDIFF = 1.0e-05 EDIFFG = -0.02 VOSKOWN = 1 ISYM = 0 SMASS = -3 POTIM = 0.01 TEBEG = 298.0 NWRITE = -1 NELM = 200 ALGO = Normal (blocked Davidson) ISPIN = 1 INIWAV = 1 ISTART = 0 ICHARG = 2 LWAVE = .FALSE. LCHARG = .FALSE. ADDGRID = .FALSE. ISMEAR = 1 SIGMA = 0.2 LREAL = .FALSE. LSCALAPACK = .FALSE. RWIGS = 1.11 0.73 0.77 1.02 0.32