# Explicit k-points input for VASP # Note that VASP uses the FIRST occurence of a keyword # Extra input added by hand NPAR=10 LORBIT=12 # End of extra input SYSTEM = * Cs16Na7Y4AgIn3BiCl48 (P1) ~ ConfSearched 1.0 Cs2InAgCl6_mp-1096926_primitive.cif_2x2x2_7 (VASP) NPAR = 1 PREC = Accurate ENCUT = 500.000 IBRION = -1 NSW = 0 ISIF = 0 NELMIN = 2 EDIFF = 1.0e-05 VOSKOWN = 1 NWRITE = 1 NELM = 1000 METAGGA = MBJ LASPH = .TRUE. LMIXTAU = .TRUE. ALGO = Damped TIME = 0.4 ISPIN = 2 INIWAV = 1 ISTART = 0 NBANDS = 573 ICHARG = 1 LWAVE = .FALSE. LCHARG = .FALSE. ADDGRID = .FALSE. LREAL = .FALSE. LSCALAPACK = .FALSE. RWIGS = 2.35 1.46 1.54 0.99 1.62 1.44 1.34 # Default options for parallel NPAR = 64