diff --git a/src/aiida_quantumespresso/workflows/pdos.py b/src/aiida_quantumespresso/workflows/pdos.py index 09ec45012..830d4285c 100644 --- a/src/aiida_quantumespresso/workflows/pdos.py +++ b/src/aiida_quantumespresso/workflows/pdos.py @@ -134,8 +134,8 @@ def validate_nscf(value, _): parameters = value['pw']['parameters'].get_dict() if parameters.get('CONTROL', {}).get('calculation', 'scf') != 'nscf': return '`CONTOL.calculation` in `nscf.pw.parameters` is not set to `nscf`.' - if parameters.get('SYSTEM', {}).get('occupations', None) != 'tetrahedra': - return '`SYSTEM.occupations` in `nscf.pw.parameters` is not set to `tetrahedra`.' + if parameters.get('SYSTEM', {}).get('occupations', None) not in ['tetrahedra', 'tetrahedra_opt']: + return '`SYSTEM.occupations` in `nscf.pw.parameters` is not set to `tetrahedra` or `tetrahedra_opt`.' def validate_dos(value, _):