# DOS input for VASP # Note that VASP uses the FIRST occurence of a keyword SYSTEM = optical spectra (SiCONB) BN(O)2 Si25BC7N8O31H29 + B, from job 1774(PBE-AM05) PREC = Normal ENCUT = 400.000 IBRION = -1 NSW = 0 ISIF = 0 NELMIN = 2 EDIFF = 1.0e-05 VOSKOWN = 1 NWRITE = 1 NELM = 60 ALGO = Normal (blocked Davidson) ISPIN = 1 INIWAV = 1 ISTART = 0 NBANDS = 732 ICHARG = 11 LOPTICS = .TRUE. CSHIFT = 0.1 LWAVE = .FALSE. LCHARG = .FALSE. ADDGRID = .FALSE. ISMEAR = 0 SIGMA = 0.05 LREAL = Auto LSCALAPACK = .FALSE. RWIGS = 1.11 0.73 0.75 0.77 0.82 0.32 NEDOS = 3000