./Stage_1/O INCAR output for 45: Energy of formation TMOS (re-do job_930)
Status: finished# SCF input for VASP # Note that VASP uses the FIRST occurence of a keyword SYSTEM = Energy of formation TMOS (re-do job_930) PREC = Normal ENCUT = 400.000 IBRION = 2 NSW = 800 ISIF = 2 NELMIN = 2 EDIFF = 1.0e-07 EDIFFG = -0.02 VOSKOWN = 1 NBLOCK = 1 NWRITE = 1 NELM = 800 ALGO = Normal (blocked Davidson) ISPIN = 2 MAGMOM = 2*1 INIWAV = 1 ISTART = 0 ICHARG = 2 LWAVE = .FALSE. LCHARG = .FALSE. ADDGRID = .FALSE. ISMEAR = -1 SIGMA = 0.00005 LREAL = Auto LSCALAPACK = .FALSE. RWIGS = 0.73 # Default options for parallel NPAR = 4