From 577b681fef36b6ccd10a2330ddde405a45c610c4 Mon Sep 17 00:00:00 2001
From: Andres Ortega-Guerrero
 <34098967+AndresOrtegaGuerrero@users.noreply.github.com>
Date: Thu, 28 Nov 2024 17:27:42 +0100
Subject: [PATCH] PBEsol as default for SOC (#951)

* PBEsol as default for SOC
---
 src/aiidalab_qe/app/configuration/advanced/pseudos/model.py | 4 ++--
 tests/test_pseudo.py                                        | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

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"