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dipole correction and convergence problems for slab

Posted: Fri Jun 21, 2013 3:04 am
by cgduan
Dear all,

I have got resonable preconvergence results for a slab with vaccum condition, but when adding dipole correction into INCAR (LDIPOL = .TRUE. ; IDIPOLE = 3), i found the last results became very terrible, especially the forces of atoms were unexpectedly huge consequently the system couldn't convergence.

What the hell? It's so strange.


PS:before introduing dipole correction relaxation, i delete all WAVECAR and CHGCAR of last preconvergence results

any advices are appreciated.

Best regards!

Re: dipole correction and convergence problems for slab

Posted: Thu Sep 12, 2024 7:11 am
by support_vasp

Hi,

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