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Dear all,

I'm trying to follow the tutorial on the manual to do the Berry phase calculation
for the first time. However, I stopped at the step "Calculation 2" with
the following error:
VERY BAD NEWS! internal error in subroutine IBZKPT:
Fatal error: unable to match k-point! 0

I used exactly the same KPOINTS and POSCAR as in the manual.
For the POTCAR, I used USPP-LDA (Na_pv and standard F).
And my INCAR looks like:
SYSTEM = NaF
ISMEAR = -5
PREC = Accurate
#LBERRY = .TRUE.
#IGPAR = 2
#NPPSTR = 6
#DIPOL = 0.25 0.25 0.25

After the SCF "Calculation 1", I switched on the Berry phase calculation by
commenting out the last four lines. Then, I got the error message above.
Any idea? Do I need to modify KPOINTS after "Calculation 1"?

My VASP version is 4.6.28.

Thanks a bunch
Eric

<span class='smallblacktext'>[ Edited ]</span>

"ISMEAR = 0; SIGMA =0.1" solves the problem.
Probably, it's because the k-point string doesn't form tetrahedrons
in a Berry-phase calculation.

Sorry for spamming here.

No, thank you. Your post helped me today! Got the same error and the same soln. worked.