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!
dipole correction and convergence problems for slab
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cgduan
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dipole correction and convergence problems for slab
Last edited by cgduan on Fri Jun 21, 2013 3:04 am, edited 1 time in total.
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support_vasp
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Re: dipole correction and convergence problems for slab
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