diff --git a/src/aiida_quantumespresso/workflows/pw/base.py b/src/aiida_quantumespresso/workflows/pw/base.py index df54d89ce..ce4052ed3 100644 --- a/src/aiida_quantumespresso/workflows/pw/base.py +++ b/src/aiida_quantumespresso/workflows/pw/base.py @@ -240,7 +240,6 @@ def setup(self): self.ctx.inputs.parameters.setdefault('CONTROL', {}) self.ctx.inputs.parameters.setdefault('ELECTRONS', {}) self.ctx.inputs.parameters.setdefault('SYSTEM', {}) - self.ctx.inputs.parameters['CONTROL'].setdefault('calculation', 'scf') self.ctx.inputs.settings = self.ctx.inputs.settings.get_dict() if 'settings' in self.ctx.inputs else {}