How to calculate spontaneous polarization in VASP?

23 March 2022 1 3K Report

I am trying to find spontaneous polarization of a system using LCALCPOL tag in vasp which gives total dipole moment. Please guide me how to calculate spontaneous polarization value from that.

Steven Hartman

Hello,

This procedure is discussed in a previous thread here https://www.researchgate.net/post/Spontaneous-polarization-of-BaTiO3-ferroelectric-in-vasp

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