Use qe plugin utility to define default starting magnetization

src/aiidalab_qe/app/configuration/advanced/advanced.py

@@ -50,6 +50,11 @@ def __init__(self, model: AdvancedConfigurationSettingsModel, **kwargs):
             "kpoints_distance",
         )
 
+        # NOTE connect pseudos first, as some settings depend on it
+        pseudos_model = PseudosConfigurationSettingsModel()
+        self.pseudos = PseudosConfigurationSettingsPanel(model=pseudos_model)
+        model.add_model("pseudos", pseudos_model)
+
         smearing_model = SmearingConfigurationSettingsModel()
         self.smearing = SmearingConfigurationSettingsPanel(model=smearing_model)
         model.add_model("smearing", smearing_model)
@@ -64,10 +69,6 @@ def __init__(self, model: AdvancedConfigurationSettingsModel, **kwargs):
         self.hubbard = HubbardConfigurationSettingsPanel(model=hubbard_model)
         model.add_model("hubbard", hubbard_model)
 
-        pseudos_model = PseudosConfigurationSettingsModel()
-        self.pseudos = PseudosConfigurationSettingsPanel(model=pseudos_model)
-        model.add_model("pseudos", pseudos_model)
-
     def render(self):
         if self.rendered:
             return

src/aiidalab_qe/app/configuration/advanced/magnetization/magnetization.py

@@ -44,7 +44,15 @@ def render(self):
         if self.rendered:
             return
 
-        self.description = ipw.HTML("<b>Magnetization:</b>")
+        self.description = ipw.HTML("""
+            <div>
+                <b>Magnetization:</b>
+                <br>
+                The default starting magnetization is computed as the theoretical
+                magnetic moment scaled by the valence charge defined in the selected
+                pseudopotential family.
+            </div>
+        """)
 
         self.magnetization_type = ipw.ToggleButtons(
             style={

src/aiidalab_qe/app/configuration/advanced/magnetization/model.py

@@ -2,7 +2,10 @@
 
 import traitlets as tl
 
+from aiida.common.exceptions import NotExistent
+from aiida_quantumespresso.workflows.protocols.utils import get_starting_magnetization
 from aiidalab_qe.common.mixins import HasInputStructure
+from aiidalab_qe.utils import fetch_pseudo_family_by_label
 
 from ..subsettings import AdvancedCalculationSubSettingsModel
 
@@ -17,10 +20,12 @@ class MagnetizationConfigurationSettingsModel(
         "input_structure",
         "electronic_type",
         "spin_type",
+        "pseudos.family",
     ]
 
     electronic_type = tl.Unicode()
     spin_type = tl.Unicode()
+    family = tl.Unicode()
 
     type_options = tl.List(
         trait=tl.List(tl.Unicode()),
@@ -41,9 +46,16 @@ def update(self, specific=""):  # noqa: ARG002
         if self.spin_type == "none" or not self.has_structure:
             self._defaults["moments"] = {}
         else:
-            self._defaults["moments"] = {
-                kind_name: 0.0 for kind_name in self.input_structure.get_kind_names()
-            }
+            try:
+                self._defaults["moments"] = get_starting_magnetization(
+                    self.input_structure,
+                    fetch_pseudo_family_by_label(self.family),
+                )
+            except NotExistent:
+                self._defaults["moments"] = {
+                    kind_name: 0.0
+                    for kind_name in self.input_structure.get_kind_names()
+                }
         with self.hold_trait_notifications():
             self.moments = self._get_default_moments()