ferroelectricity calculations using Wannier90

Queries about input and output files, running specific calculations, etc.


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bakgenc
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ferroelectricity calculations using Wannier90

#1 Post by bakgenc » Wed Feb 26, 2025 3:47 pm

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.

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ferenc_karsai
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Re: ferroelectricity calculations using Wannier90

#2 Post by ferenc_karsai » Thu Feb 27, 2025 9:38 am

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

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