# Pseudopotentials in aiida workflow example with Espresso **URL:** \ **Category:** General Usage\ **Created:** [September 17, 2025, 5:25am UTC](https://aiida.discourse.group/t/pseudopotentials-in-aiida-workflow-example-with-espresso/679 "2025-09-17T05:25:17Z")\ **Posts on this page:** 4\ **Page:** 1
**Author:** ![Walser52](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/walser52/32/332_2.png) [@Walser52](https://aiida.discourse.group/u/Walser52)\ **Post date:** [September 17, 2025, 5:25am UTC](https://aiida.discourse.group/t/pseudopotentials-in-aiida-workflow-example-with-espresso/679/1 "2025-09-17T05:25:17Z")
I’m following the workflows tutorial in the aiida documentation. I get an error regarding missing pseudopotentials when they are actually installed. ```auto alat = 4.0 ase_structure = crystal('Si', [(0, 0, 0)], spacegroup=227, cellpar=[alat, alat, alat, 90, 90, 90], primitive_cell=True) structure = StructureData(ase=ase_structure) code = load_code('pw@localhost') from aiida.plugins import WorkflowFactory PwBandsWorkChain = WorkflowFactory('quantumespresso.pw.bands') builder = PwBandsWorkChain.get_builder_from_protocol(code=code, structure=structure ) ``` I get the following error ```auto --------------------------------------------------------------------------- NotExistent Traceback (most recent call last) File ~/miniforge3/envs/aiidapy313/lib/python3.13/site-packages/aiida_quantumespresso/workflows/pw/base.py:180, in PwBaseWorkChain.get_builder_from_protocol(cls, code, structure, protocol, overrides, electronic_type, spin_type, initial_magnetic_moments, options, **_) 179 pseudo_set = (PseudoDojoFamily, SsspFamily, CutoffsPseudoPotentialFamily) --> 180 pseudo_family = orm.QueryBuilder().append(pseudo_set, filters={'label': pseudo_family}).one()[0] 181 except exceptions.NotExistent as exception: File ~/miniforge3/envs/aiidapy313/lib/python3.13/site-packages/aiida/orm/querybuilder.py:1146, in QueryBuilder.one(self) 1145 elif len(res) == 0: -> 1146 raise NotExistent('No result was found') 1147 return res[0] NotExistent: No result was found The above exception was the direct cause of the following exception: ValueError Traceback (most recent call last) Cell In[41], line 3 1 from aiida.plugins import WorkflowFactory 2 PwBandsWorkChain = WorkflowFactory('quantumespresso.pw.bands') ----> 3 builder = PwBandsWorkChain.get_builder_from_protocol(code=code, structure=structure ) File ~/miniforge3/envs/aiidapy313/lib/python3.13/site-packages/aiida_quantumespresso/workflows/pw/bands.py:139, in PwBandsWorkChain.get_builder_from_protocol(cls, code, structure, protocol, overrides, options,**kwargs) 136 inputs = cls.get_protocol_inputs(protocol, overrides) 138 args = (code, structure, protocol) --> 139 relax = PwRelaxWorkChain.get_builder_from_protocol( 140 *args, overrides=inputs.get('relax', None), options=options, **kwargs 141 ) 142 scf = PwBaseWorkChain.get_builder_from_protocol( 143 *args, overrides=inputs.get('scf', None), options=options,**kwargs 144 ) 145 bands = PwBaseWorkChain.get_builder_from_protocol( 146 *args, overrides=inputs.get('bands', None), options=options, **kwargs 147 ) File ~/miniforge3/envs/aiidapy313/lib/python3.13/site-packages/aiida_quantumespresso/workflows/pw/relax.py:109, in PwRelaxWorkChain.get_builder_from_protocol(cls, code, structure, protocol, overrides, relax_type, options,**kwargs) 106 inputs = cls.get_protocol_inputs(protocol, overrides) 108 args = (code, structure, protocol) --> 109 base = PwBaseWorkChain.get_builder_from_protocol( 110 *args, overrides=inputs.get('base', None), options=options, **kwargs 111 ) 112 base_final_scf = PwBaseWorkChain.get_builder_from_protocol( 113 *args, overrides=inputs.get('base_final_scf', None), options=options,**kwargs 114 ) 116 base['pw'].pop('structure', None) File ~/miniforge3/envs/aiidapy313/lib/python3.13/site-packages/aiida_quantumespresso/workflows/pw/base.py:182, in PwBaseWorkChain.get_builder_from_protocol(cls, code, structure, protocol, overrides, electronic_type, spin_type, initial_magnetic_moments, options, **_) 180 pseudo_family = orm.QueryBuilder().append(pseudo_set, filters={'label': pseudo_family}).one()[0] 181 except exceptions.NotExistent as exception: --> 182 raise ValueError( 183 f'required pseudo family `{pseudo_family}` is not installed. Please use `aiida-pseudo install` to' 184 'install it.' 185 ) from exception 187 try: 188 parameters['SYSTEM']['ecutwfc'], parameters['SYSTEM'][189 'ecutrho'] = pseudo_family.get_recommended_cutoffs(structure=structure, unit='Ry') ValueError: required pseudo family `SSSP/1.3/PBEsol/efficiency` is not installed. Please use `aiida-pseudo install` toinstall it. ``` But actually the pseudopotential set is installed and I do load the right profile": ```auto (aiidapy313)$ aiida-pseudo list Label Type string Count SSSP/1.3/PBE/efficiency pseudo.family.sssp 103 ``` ---
**Author:** ![t-reents](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/t-reents/32/82_2.png) [@t-reents](https://aiida.discourse.group/u/t-reents)\ **Post date:** [September 17, 2025, 6:50am UTC](https://aiida.discourse.group/t/pseudopotentials-in-aiida-workflow-example-with-espresso/679/2 "2025-09-17T06:50:29Z")
Hi @Walser52 You are encountering this issue because AiiDA-QE uses the PBEsol functional by default. However, as you show in your code snippet, you have only installed the PBE ones at the moment (which are installed by default). To install the PBEsol version, please run (see the [“Get started”](https://aiida-quantumespresso.readthedocs.io/en/latest/installation/index.html#pseudo-potentials) section of the documentation): ```auto aiida-pseudo install sssp -v 1.3 -x PBEsol ``` If you want to use PBE pseudos, you have to change them using the `overrides`. Let us know in case you need further help. Hope that helps! ---
**Author:** ![Walser52](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/walser52/32/332_2.png) [@Walser52](https://aiida.discourse.group/u/Walser52)\ **Post date:** [September 17, 2025, 8:58am UTC](https://aiida.discourse.group/t/pseudopotentials-in-aiida-workflow-example-with-espresso/679/3 "2025-09-17T08:58:29Z")
> [@t-reents](#): > > `aiida` Sorry, I was blind to PBE and PBEsol. Yes it’s working. ---
**Author:** ![system](https://global.discourse-cdn.com/free1/uploads/aiida/original/1X/c417197d3750949351575d03ed03f5e2ad32e649.png) [@system](https://aiida.discourse.group/u/system)\ **Post date:** [September 23, 2025, 4:58am UTC](https://aiida.discourse.group/t/pseudopotentials-in-aiida-workflow-example-with-espresso/679/4 "2025-09-23T04:58:42Z")
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