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calculating unit cell Dipole moments

Posted: Wed Mar 06, 2013 3:46 am
by ssi
How can I calculate the dipole moments of bulk systems with no defects? (neither molecules nor slabs, but noncentrosymmetric systems having unit cell dipole moments)
I am working on an orthorhombic cell which is ferroelectric. Do I have to include the dipole correction in the energy?

Re: calculating unit cell Dipole moments

Posted: Thu Sep 12, 2024 7:40 am
by support_vasp

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