diff --git a/src/aiidalab_qe/app/configuration/advanced/pseudos/model.py b/src/aiidalab_qe/app/configuration/advanced/pseudos/model.py index 959048e31..84c3b29e5 100644 --- a/src/aiidalab_qe/app/configuration/advanced/pseudos/model.py +++ b/src/aiidalab_qe/app/configuration/advanced/pseudos/model.py @@ -215,9 +215,9 @@ def update_family_parameters(self): return if self.spin_orbit == "soc": if self.protocol in ["fast", "moderate"]: - pseudo_family_string = "PseudoDojo/0.4/PBE/FR/standard/upf" + pseudo_family_string = "PseudoDojo/0.4/PBEsol/FR/standard/upf" else: - pseudo_family_string = "PseudoDojo/0.4/PBE/FR/stringent/upf" + pseudo_family_string = "PseudoDojo/0.4/PBEsol/FR/stringent/upf" else: pseudo_family_string = PwBaseWorkChain.get_protocol_inputs(self.protocol)[ "pseudo_family" diff --git a/tests/test_pseudo.py b/tests/test_pseudo.py index e71830960..abe641635 100644 --- a/tests/test_pseudo.py +++ b/tests/test_pseudo.py @@ -173,7 +173,7 @@ def test_pseudos_settings(generate_structure_data, generate_upf_data): # Test spin-orbit-dependent family change model.spin_orbit = "soc" model.protocol = "moderate" - assert model.family == f"PseudoDojo/{PSEUDODOJO_VERSION}/PBE/FR/standard/upf" + assert model.family == f"PseudoDojo/{PSEUDODOJO_VERSION}/PBEsol/FR/standard/upf" # Reset the external dependencies of the model model.spin_orbit = "wo_soc"