triqs_modest.module.one_body_elements_from_wannier90

triqs_modest.module.one_body_elements_from_wannier90()

Function dispatched to the following (C++) functions:

[1] (wannier_file_path: str,
     spin_kind: triqs::modest::spin_kind_e,
     atomic_shells: [AtomicOrbs])
  -> OneBodyElementsTb

[2] (wannier_file_path_up: str,
     wannier_file_path_dn: str,
     spin_kind: triqs::modest::spin_kind_e,
     atomic_shells: [AtomicOrbs])
  -> OneBodyElementsTb

---

[0] Construct a obe_tb from Wannier90 in the case of a single spin index.

---

[1] Construct a obe_tb from Wannier90 in the case with separate spin up/spin down channels.

---

Parameters

wannier_file_path:

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_kind:

spin type for this calculation

atomic_shells:

list of atomic shells input by the user

wannier_file_path_up:

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_dn:

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

One_body_elements object containing the Wannier90 tight binding Hamiltonian

---