diff --git a/src/koopmans/workflows/_unfold_and_interp.py b/src/koopmans/workflows/_unfold_and_interp.py index 88008b079..aa73fc981 100644 --- a/src/koopmans/workflows/_unfold_and_interp.py +++ b/src/koopmans/workflows/_unfold_and_interp.py @@ -70,7 +70,7 @@ def _run(self) -> None: scf_grid = self.kpoints.grid smth_factor = self.calculator_parameters['ui'].smooth_int_factor for i in range(len(offset_old)): - offset_new = offset_old[i] + 0.5*(smth_factor[i] - 1) / (smth_factor[i] * scf_grid[i]) + offset_new = offset_old[i] + 0.5 * (smth_factor[i] - 1) / (smth_factor[i] * scf_grid[i]) if self.calculator_parameters['ui'].do_smooth_interpolation: wannier_workflow = WannierizeWorkflow.fromparent(self, scf_kgrid=self.kpoints.grid)