./Stage_1/INCAR output for Job 779

./Stage_1/INCAR output for 779: TiO2_Ana

Status: finished

# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
# Extra input added by hand
NPAR = 8
NCORE = 8
# End of extra input

SYSTEM = TiO2_Ana

    PREC = Accurate
   ENCUT = 550
  IBRION = 2
     NSW = 100
    ISIF = 3
  NELMIN = 2
   EDIFF = 1.0e-06
  EDIFFG = -0.02
 VOSKOWN = 1
  NBLOCK = 1
  NWRITE = 1
    NELM = 60
    ALGO = Fast (Davidson and RMM-DIIS)
   ISPIN = 2
  INIWAV = 1
  ISTART = 0
  ICHARG = 2
   LWAVE = .TRUE.
  LCHARG = .TRUE.
 ADDGRID = .TRUE.
  ISMEAR = 0
   SIGMA = 0.05
   LREAL = .FALSE.
LSCALAPACK = .FALSE.
RWIGS = 1.45 0.73

# Default options for parallel
    NPAR = 64