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Commit c24a624

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Miki Bonacci
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Adding some fixing for the namespace in the workflow
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aiida_yambo_wannier90/workflows/__init__.py

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -1063,7 +1063,7 @@ def prepare_wannier90_pp_inputs(self) -> AttributeDict:
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#params["bands_plot"] = False
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#inputs.wannier90.parameters = orm.Dict(params)
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1066-
inputs.bands_kpoints = self.ctx.current_bands_kpoints
1066+
inputs.wannier90.bands_kpoints = self.ctx.current_bands_kpoints
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# Use commensurate kmesh
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if self.ctx.kpoints_w90_input != self.ctx.kpoints_w90:
@@ -1174,8 +1174,8 @@ def prepare_wannier90_inputs(self) -> AttributeDict:
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self.exposed_inputs(Wannier90OptimizeWorkChain, namespace="wannier90")
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)
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1177-
inputs.structure = self.ctx.current_structure
1178-
inputs.kpoint_path = self.ctx.current_kpoint_path
1177+
inputs.wannier90.structure = self.ctx.current_structure
1178+
inputs.wannier90.kpoint_path = self.ctx.current_kpoint_path
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# Use commensurate kmesh
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if self.ctx.kpoints_w90_input != self.ctx.kpoints_w90:

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