| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| logical, | public | :: | use_ws_distance | = | .true. | ||
| real(kind=dp), | public | :: | ws_distance_tol | = | 1.e-5_dp |
absolute tolerance for the distance to equivalent positions |
|
| integer, | public | :: | ws_search_size(3) | = | 2 |
maximum extension in each direction of the supercell of the BvK cell to search for points inside the Wigner-Seitz cell |
type ws_region_type logical :: use_ws_distance = .true. !ws_distance, plot and postw90_common real(kind=dp) :: ws_distance_tol = 1.e-5_dp !ws_distance, hamiltonian and postw90_common !! absolute tolerance for the distance to equivalent positions integer :: ws_search_size(3) = 2 ! ws_distance, hamiltonian !! maximum extension in each direction of the supercell of the BvK cell !! to search for points inside the Wigner-Seitz cell end type ws_region_type