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It is well known that if there is a single vacancy in graphene, then the graphene will become magnetic with its moment about 1.3 uB. In addition, two Carbon atoms around the vacancy will get closer(kind of like reconstructed to pentagon) and the other one atom will move out of plane a little bit(Jahn-Teller effect)

I am trying to use VASP to reproduce this result in this paper:

http://iopscience.iop.org/1367-2630/6/1/068

using 32-atom(4*4) supercell, but failed. My result always showed zero magnetic moment after relaxation. And the two carbon atoms would not reconstruct either even I initially put them closer(to about 2 Angstrom).

The following is my input file(and I am using PAW-PBE xc functional): I am not sure whether I missed some parameters.

===
INCAR
SYSTEM=Graphene
PREC=Accurate
ENCUT=400
ISIF=2
IBRION=2
EDIFF=1.0E-6
EDIFFG=-0.03
NSW=60
ISMEAR=0
SIGMA=0.05
ISPIN=2
======

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