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ferroelectricity calculations using Wannier90

Posted: Wed Feb 26, 2025 3:47 pm
by bakgenc

hello

For studying ferroelectricity using Wannier90 within VASP, which INCAR tags are required to ensure proper polarization calculations?

I really appreciate any help you can provide.


Re: ferroelectricity calculations using Wannier90

Posted: Thu Feb 27, 2025 9:38 am
by ferenc_karsai

A description how to obtain Wannier orbitals and how to use VASP with Wannier90 is given here and here.