[Wannier] Query about wannier90 calculations on disordered supercell

[Mouyang Cheng]

Dear Wannier90 developers,

This is Mouyang Cheng, a student at MIT. I'm interested in generating wannier orbitals for disordered systems, e.g. amorphous 2D graphene sheet (large disorder). I've read several articles successfully coping with applying generalized Wannier orbitals on disordered systems like:
Maximally-localized Wannier functions for disordered systems: Application to amorphous silicon - ScienceDirect<https://www.sciencedirect.com/science/article/abs/pii/S0038109898001756>;

However as to my understanding in the user manual of Wannier90, we need to specify the Kmesh and number of bands to do wannier fit. But for a large supercell (~200 atoms) it is only practical for DFT to deal with only one Gamma point for BZ, and there is no concept of band in non-crystals.

So my question is: can Wannier90 deal with such an amorphous supercell and get a tight-binding Hamiltonian? If not, could you give any suggestions on any other code or convenient methods; If yes, how does it work?

Thank you so much for taking your time reading this email and I would greatly appreciate any help or clarification.

Best regards,
Mouyang Cheng

NSE, Massachusetts Institute of Technology
[https://ars.els-cdn.com/content/image/1-s2.0-S0038109823X00143-cov150h.gif]<https://www.sciencedirect.com/science/article/abs/pii/S0038109898001756>
Maximally-localized Wannier functions for disordered systems: Application to amorphous silicon<https://www.sciencedirect.com/science/article/abs/pii/S0038109898001756>
We use the maximally-localized Wannier function method to study bonding properties in amorphous silicon. This study represents, to our knowledge, the …
www.sciencedirect.com

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