tbplas.wan2pc

tbplas.wan2pc(seed_name: str = 'wannier90', correct_hop: bool = False, hop_eng_cutoff: float = 1e-05) PrimitiveCell

Create primitive cell from output of Wannier90.

Parameters:
  • seed_name – seed_name of Wannier90 output files

  • correct_hop – whether to correct hopping terms using data in seed_name_wsvec.dat

  • hop_eng_cutoff – energy cutoff for hopping terms in eV Hopping terms with energy below this threshold will be dropped.

Returns:

primitive cell created from Wannier90 output files

Raises:
  • ValueError – if unit of lattice vectors is not “Ang” or “Bohr”

  • FileNotFoundError – if seed_name_wsvec.dat is not found