Which method is more reliable to calculate the spontaneous ferroelectric polarization:
1. One where P is estimated from Born Effective Charges (which are obtained used Density functional Perturbation theory) or the ...
2. One where P is obtained with the Berry phase method.
Ferroelctric Polarization Calculation by DFPT or Berry Phase
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Re: Ferroelctric Polarization Calculation by DFPT or Berry Phase
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