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Posted: **Wed Oct 15, 2014 6:45 am**

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.

Posted: **Thu Sep 12, 2024 8:41 am**

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Ferroelctric Polarization Calculation by DFPT or Berry Phase

Ferroelctric Polarization Calculation by DFPT or Berry Phase

Re: Ferroelctric Polarization Calculation by DFPT or Berry Phase