I got an error during DOS calculations as follow:
VERY BAD NEWS! internal error in subroutine IBZKPT:
Routine TETIRR needs special values for the k-mesh shifts! -3
and here is my INCAR file:
# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
# Extra input added by hand
SYMPREC=1e-4
# End of extra input
SYSTEM = (Si7 C8)3 (P1) ~ 431 minimizedSi3/2 0 0 1 surface (VASP)-SINGLE POINT-900eV-K661-LOW-SYMPREC=1e-4
NPAR = 1
PREC = Low
ENCUT = 900
IBRION = -1
NSW = 0
ALGO = Normal (blocked Davidson)
NELM = 60
NELMIN = 2
EDIFF = 1.0e-05
EDIFFG = -0.02
VOSKOWN = 1
NBLOCK = 1
ISPIN = 1
INIWAV = 1
ISTART = 0
ICHARG = 2
LWAVE = .TRUE.
LCHARG = .TRUE.
ADDGRID = .FALSE.
# Work Function Options
LVTOT = .TRUE.
IDIPOL = 3
DIPOL = 0.0 0.0 0.5
#
LVTOT = .TRUE.
LELF = .TRUE.
ISMEAR = 1
SIGMA = 0.2
LREAL = Auto
RWIGS = 1.11 0.77
Should I decrease K mesh to lower values?
DOS ERROR
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Re: DOS ERROR
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