From c00dd54f9fdab8e8bca080a594d4581dfb376147 Mon Sep 17 00:00:00 2001 From: Hongyi Zhao Date: Thu, 16 Apr 2020 23:48:14 +0800 Subject: [PATCH] See here https://github.com/aiidateam/aiida-wannier90-workflows/issues/3 and https://github.com/aiidateam/aiida-quantumespresso/commit/ec24908162fe9c606bd6e491d6253f31e2436957 `seekpath_structure_analysis`: expand parameter input into keywords So, adjust the call method for the seekpath_structure_analysis function accordingly. --- aiida_wannier90_workflows/workflows/bands.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/aiida_wannier90_workflows/workflows/bands.py b/aiida_wannier90_workflows/workflows/bands.py index 6de36dc..31aaef0 100644 --- a/aiida_wannier90_workflows/workflows/bands.py +++ b/aiida_wannier90_workflows/workflows/bands.py @@ -230,7 +230,7 @@ def run_seekpath(self): format(structure_formula) ) result = seekpath_structure_analysis( - self.inputs.structure, seekpath_parameters + self.inputs.structure, **seekpath_parameters ) self.ctx.current_structure = result['primitive_structure'] self.ctx.explicit_kpoints_path = result['explicit_kpoints']