# SCF input for VASP # Note that VASP uses the FIRST occurence of a keyword SYSTEM = optical spectra Si36C10N11O43H31 from job 1582 MBJLDA test-2 PREC = Normal ENCUT = 400.000 IBRION = -1 NSW = 0 ISIF = 2 NELMIN = 2 EDIFF = 1.0e-05 EDIFFG = -0.02 VOSKOWN = 1 NBLOCK = 1 NWRITE = 1 NELM = 3000 METAGGA = MBJ LASPH = .TRUE. LMIXTAU = .TRUE. ALGO = Damped TIME = 0.4 ISPIN = 1 INIWAV = 1 ISTART = 0 NBANDS = 660 ICHARG = 2 LWAVE = .FALSE. LCHARG = .TRUE. ADDGRID = .FALSE. ISMEAR = 1 SIGMA = 0.2 LREAL = .FALSE. LSCALAPACK = .FALSE. RWIGS = 1.11 0.77 0.75 0.32 0.73 # Default options for parallel NPAR = 14