dipole correction in slab
Posted: Wed Feb 28, 2024 11:00 am
is it necessary to add dipole correction for every slab calculation?
that is, should I include IDIPOL or LDIPOL command in INCAR for the whole slab calculation such as slab atomic relaxation, slab charge calculation or AIMD slab calculation?
Thank you.
that is, should I include IDIPOL or LDIPOL command in INCAR for the whole slab calculation such as slab atomic relaxation, slab charge calculation or AIMD slab calculation?
Thank you.