calculating unit cell Dipole moments
Posted: Wed Mar 06, 2013 3:46 am
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?
I am working on an orthorhombic cell which is ferroelectric. Do I have to include the dipole correction in the energy?