triqs_modest.obe.one_body_elements_from_wannier90

triqs_modest.obe.one_body_elements_from_wannier90()

Dispatched C++ function(s).

[1] (wannier_file_path: str,
     spin_kind: str {"Polarized", "NonPolarized", "NonColinear"},
     atomic_shells: [AtomicOrbs])
  -> OneBodyElementsTb

[2] (wannier_file_path_up: str,
     wannier_file_path_dn: str,
     spin_kind: str {"Polarized", "NonPolarized", "NonColinear"},
     atomic_shells: [AtomicOrbs])
  -> OneBodyElementsTb

[1] Construct a one-body elements TB object from Wannier90 in the case of a single spin index.

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[2] Construct a one-body elements TB object from Wannier90 in the case with separate spin up/spin down channels.

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Parameters:

wannier_file_pathstr

String to Wannier90 files, including the prefix, as in “path/to/file/seedname” to specify a Wannier files named in the format “seedname_tb.dat”.

spin_kindstr {“Polarized”, “NonPolarized”, “NonColinear”}

Spin kind for this calculation.

atomic_shells[AtomicOrbs]

List of atomic shells input by the user.

wannier_file_path_upstr

String to Wannier90 files, including the prefix, for the up spin channel, as in “path/to/file/seedname” to specify a Wannier files named in the format “seedname_tb.dat”.

wannier_file_path_dnstr

String to Wannier90 files, including the prefix, for the down spin channel as in “path/to/file/seedname” to specify a Wannier files named in the format “seedname_tb.dat”

Returns:

OneBodyElementsTb

One-body elements containing the Wannier90 tight binding Hamiltonian.