diff --git a/src/sisl/io/siesta/siesta_grid.py b/src/sisl/io/siesta/siesta_grid.py index 74a716a88..d68864ce0 100644 --- a/src/sisl/io/siesta/siesta_grid.py +++ b/src/sisl/io/siesta/siesta_grid.py @@ -126,9 +126,9 @@ def read_grid(self, index=0, name="gridfunc", *args, **kwargs) -> Grid: v = self._variable(name) # Create the grid, Siesta uses periodic, always + lattice.set_boundary_condition(Grid.PERIODIC) grid = Grid( [nz, ny, nx], - bc=Grid.PERIODIC, lattice=lattice, dtype=v.dtype, geometry=kwargs.get("geometry", None), diff --git a/src/sisl/io/siesta/siesta_nc.py b/src/sisl/io/siesta/siesta_nc.py index 1bf95faef..01e9cc9dc 100644 --- a/src/sisl/io/siesta/siesta_nc.py +++ b/src/sisl/io/siesta/siesta_nc.py @@ -382,7 +382,8 @@ def read_grid(self, name, index=0, **kwargs) -> Grid: v = g.variables[name] # Create the grid, Siesta uses periodic, always - grid = Grid([nz, ny, nx], bc=Grid.PERIODIC, geometry=geom, dtype=v.dtype) + geom.lattice.set_boundary_condition(Grid.PERIODIC) + grid = Grid([nz, ny, nx], geometry=geom, dtype=v.dtype) # Unit-conversion BohrC2AngC = Bohr2Ang**3 diff --git a/src/sisl/io/siesta/transiesta_grid.py b/src/sisl/io/siesta/transiesta_grid.py index dbd39c463..1302d1cfb 100644 --- a/src/sisl/io/siesta/transiesta_grid.py +++ b/src/sisl/io/siesta/transiesta_grid.py @@ -44,7 +44,8 @@ def read_grid(self, *args, **kwargs) -> Grid: v = self._variable("V") # Create the grid, Siesta uses periodic, always - grid = Grid([nc, nb, na], bc=Grid.PERIODIC, lattice=lattice, dtype=v.dtype) + lattice.set_boundary_condition(Grid.PERIODIC) + grid = Grid([nc, nb, na], lattice=lattice, dtype=v.dtype) grid.grid[:, :, :] = v[:, :, :] * _Ry2eV