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WannierTools V2.6.0

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@quanshengwu quanshengwu released this 24 Feb 13:00
· 236 commits to master since this release
  1. Now we use the atomic unit during the calculation, but use the conventional unit in the input file and output file. If not specified in the wt.in or WT.out, the unit of energy is eV, the length unit is Angstrom.
  2. We create a new format to store the tight-binding model when the unit cell is huge. Such format is called the sparse hr format, it only stores the non-zero Hmn(R) entries instead of storing every unit as it's defined in Wannier90. One example is shown in ../examples/TDBG_1.89degree/TDBG_m17_hr.dat.tar.gz
  3. We support the band structure, edge states, Wilson loop, Landau level calculations for twisted graphene systems.
  4. Landau level calculations are supported.
  5. For the band unfolding, we support BulkBand_unfold_line_calc, BulkBand_unfold_plane_calc, QPI_unfold_plane_calc modes.
  6. For the Berry curvature, we support Berrycurvature_kpath_EF_calc, BerryCurvature_kpath_Occupied_calc, BerryCurvature_slab_calc, Berrycurvature_EF_calc, BerryCurvature_Cube_calc.