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I calculated the iodine molecule with idfferent exchange correlation functions, and pseudopotentials, the dissociation energy of iodine molecule is always larger than 2.1eV. However, the experimental result is about 1.55 eV.

Please give some suggestions, thanks a lot!

following is the INCAR file:

ISTART=0
ICHARG=2
ENCUT=400

ISMEAR=0
SIGMA=0.2
EDIFF=0.0001

EDIFFG=-0.01
POTIM=0.02
ISPIN=2

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