# SCF input for VASP # Note that VASP uses the FIRST occurence of a keyword SYSTEM = response tensor, two B(C)3, Si22B2C10N8O30H33 modify from 513/605/606 PREC = Normal ENCUT = 400.000 IBRION = 8 NSW = 1 ISIF = 2 NELMIN = 6 EDIFF = 1.0e-05 VOSKOWN = 1 NWRITE = 1 NELM = 200 ALGO = Normal (blocked Davidson) ISPIN = 1 INIWAV = 1 ISTART = 0 ICHARG = 2 LEPSILON = .TRUE. LRPA = .FALSE. LWAVE = .FALSE. LCHARG = .FALSE. ADDGRID = .FALSE. ISMEAR = -5 LREAL = Auto LSCALAPACK = .FALSE. RWIGS = 0.77 0.73 1.11 0.75 0.82 0.32