iterations/neb3_max1_image01_iter26_INCAR output for 564: 4940072_SO2_t_3990147

Status: finished

# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
# Extra input added by hand
GGA = PE

NCORE = 16

NPAR = 8

EDIFFG = -1.0e-02

SYSTEM = 1

PREC = Accurate

ENCUT = 400.000

IBRION = -1

NSW = 0

ISIF = 2

NELMIN = 2

EDIFF = 1.0e-05

VOSKOWN = 1

NBLOCK = 1

ISYM = 0

NELM = 200

ALGO = Fast (Davidson and RMM-DIIS)

IVDW = 12

VDW_S6 = 1.000

VDW_S8 = 0.7875

VDW_A1 = 0.4289

VDW_A2 = 4.4407

ISPIN = 2

INIWAV = 1

ISTART = 0

ICHARG = 2

LWAVE = .FALSE.

LCHARG = .FALSE.

ADDGRID = .TRUE.

ISMEAR = 1

SIGMA = 0.05

LREAL = .FALSE.

LSCALAPACK = .FALSE.

RWIGS = 1.30 1.02 0.32 0.73

NWRITE = 2

POTIM = 0.1

IDIPOL = 3

LDIPOL = .TRUE.
# End of extra input

SYSTEM = No title

    PREC = Accurate
   ENCUT = 400.000
  IBRION = -1
     NSW = 0
    ISIF = 2
  NELMIN = 2
   EDIFF = 1.0e-05
  EDIFFG = -0.02
 VOSKOWN = 1
  NBLOCK = 1
  NWRITE = 1
    ISYM = 0
    NELM = 60
    ALGO = Fast (Davidson and RMM-DIIS)
    IVDW = 12
  VDW_S6 = 1.000
  VDW_S8 = 0.7875
  VDW_A1 = 0.4289
  VDW_A2 = 4.4407
   ISPIN = 2
  INIWAV = 1
  ISTART = 0
  ICHARG = 2
   LWAVE = .FALSE.
  LCHARG = .FALSE.
 ADDGRID = .TRUE.
  ISMEAR = 1
   SIGMA = 0.2
   LREAL = .FALSE.
LSCALAPACK = .FALSE.
RWIGS = 1.30 0.32 0.73 1.02

# Default options for parallel
    NPAR = 128