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Autorelaxed Twistronic Graphenes:
Use "twistronic_graphene_bands_basic.m" as a demo script of calculating the electronic structure of
1: Twisted Bilayer Graphene (TBG)
2: Monolayer-on-Bilayer Graphene (MBG)
3: Alternating-Twist Trilayer Graphene (ATTG)
Unrelaxed calculations can be used "out of the box", just set params.relax_str = 0 in the demo script.
For relaxed calculations, you will need the "relax_data" directory, which is not maintained in this git repo.
Contact Stephen to get a copy of the relaxed data (for TBG only, but can use for the other two structures and its an "ok" approximation).
For more details on the method, please see (and cite):
"Electronic Observables for Relaxed Bilayer 2D Heterostructures in Momentum Space" D. Massatt, S. Carr, and M. Luskin (2021).
https://arxiv.org/abs/2109.15296