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Merge pull request #823 from pfebrer/patch-11
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Fix orbital values
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zerothi authored Sep 2, 2024
2 parents 67baa54 + dda289e commit 36efa8e
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/sisl/_core/geometry.py
Original file line number Diff line number Diff line change
Expand Up @@ -3721,7 +3721,7 @@ def _orbital_values(self, grid_shape: tuple[int, int, int]):
# supercell by add_R in each direction.
# For extremely skewed lattices this will be way too much, hence we make
# them square.
o = self.lattice.to.Cuboid(True)
o = self.lattice.to.Cuboid(orthogonal=True)
lattice = Lattice(o._v + np.diag(2 * add_R), origin=o.origin - add_R)

# Retrieve all atoms within the grid supercell
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