Moire hamiltonian construction#1
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…nier slab scripts
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This PR introduces the first implementation of moiré Hamiltonian construction and analysis within TBkit. It provides a complete workflow for calculating moiré bands, Fermi surfaces, and moiré coupling factors of any DFT/symmetry inspired TB model.
Here we use
FeCl2/Bias a demonstration case, which is also part of an upcoming paper (will update the README.md later). The code for constructing symmetry-based minimal surface tight-binding models and moiré band Hamiltonians, as well as DFT post-processing, is available in Example 10 and Example 4.