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?
calculating unit cell Dipole moments
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ssi
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calculating unit cell Dipole moments
Last edited by ssi on Wed Mar 06, 2013 3:46 am, edited 1 time in total.
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support_vasp
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Re: calculating unit cell Dipole moments
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