# SCF input for VASP # Note that VASP uses the FIRST occurence of a keyword SYSTEM = Optical spectra QuasiParticle G0W0 (Si35O58F7) (from job 1241) (std*12) PREC = Normal ENCUT = 414.635 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) ISPIN = 1 INIWAV = 1 ISTART = 0 NBANDS = 1932 ICHARG = 2 LWAVE = .TRUE. LCHARG = .TRUE. ADDGRID = .FALSE. ISMEAR = 0 SIGMA = 0.02 LREAL = .FALSE. LSCALAPACK = .FALSE. RWIGS = 1.11 0.73 0.72 # Default options for parallel NPAR = 4