# SCF input for VASP # Note that VASP uses the FIRST occurence of a keyword SYSTEM = Optical spectra QuasiParticle G0W0 (SiO2)3 (P3_121) ~ (COD #9012601) (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) LORBIT = 10 LSORBIT = .TRUE. INIWAV = 1 ISTART = 0 NBANDS = 348 ICHARG = 2 LWAVE = .TRUE. LCHARG = .TRUE. ADDGRID = .FALSE. ISMEAR = 0 SIGMA = 0.02 LREAL = .FALSE. LSCALAPACK = .FALSE. RWIGS = 1.11 0.73 # Default options for parallel NPAR = 12