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Dear Vasp users,

I am doing a structural relaxation in Si cubic unit cell containing 64 atoms. I am calculating a charged cell(+1) so I dipole correction is used. The INCAR file contains the following settings:

ISPIN = 2 ! Spin polarized
IBRION = 2 ! CG algorithm
ISMEAR = 0 ! Gaussian smearing
ENCUT = 300 ! cut off 300eV
POTIM = 0.5
NSW = 500
PREC = high
LREAL = auto
NELECT = 263 ! neutral is 264.
IDIPOL = 4 ! dipole correction
EPSILON = 12 ! dielectric constant

This seems straightforward, but I got unreasonable values for the correction:
energy(sigma->0) = 1129.944258
energy correction for charged system 1.871884 eV
dipol+quadrupol energy correction 1488.266730 eV

Does anyone know where I might be wrong?

Thanks a lot for your help!

Renyu

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