# SCF input for VASP # Note that VASP uses the FIRST occurence of a keyword SYSTEM = Sn15 O32 (P1) ~ 8 minimized: 6 initial: Unit cell of 6 atoms SnO2 nanocystalline icsd#154960_2x2x2_1 (VASP) PREC = Normal ENCUT = 480 IBRION = 2 NSW = 100 ISIF = 3 NELMIN = 2 EDIFF = 1.0e-05 EDIFFG = -0.02 VOSKOWN = 1 NBLOCK = 1 NWRITE = 1 NELM = 60 ALGO = Normal (blocked Davidson) ISPIN = 2 MAGMOM = 6*0 -2 5*0 2 34*0 INIWAV = 1 ISTART = 0 ICHARG = 2 LWAVE = .FALSE. LCHARG = .FALSE. ADDGRID = .FALSE. ISMEAR = 1 SIGMA = 0.2 LREAL = Auto RWIGS = 1.41 0.73