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# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
# Extra input added by hand
#RWIGS=1.11
LREAL=Auto
NPAR=1
NELM=200
# End of extra input

SYSTEM = (Si)64  (P1) ~ 265 minimized: (Pearson #1817142)_1 1 0 0  surface (#1)_2x4x1_1 (VASP)

    PREC = Normal
   ENCUT = 400
  IBRION = -1
     NSW = 0
    ALGO = Normal (blocked Davidson)
    NELM = 60
  NELMIN = 2
   EDIFF = 1e-4
  EDIFFG = -0.02
VOSKOWN = 1
  NBLOCK = 1
   ISPIN = 1
  INIWAV = 1
  ISTART = 0
  ICHARG = 2
   LWAVE = .TRUE.
  LCHARG = .TRUE.
ADDGRID = .FALSE.
  ISMEAR = -5
   SIGMA = 0.2
   LREAL = .FALSE.
RWIGS = 1.11
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Originally posted by maomao7910 at 2011-07-20 09:46:27:
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