Add information about magnetism feature limitations for insulators

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

@@ -54,6 +54,15 @@ def render(self):
 
         self.unit = "µ<sub>B</sub>"
 
+        self.insulator_help = ipw.HTML("""
+            <div style="line-height: 1.4;">
+                <b>Note:</b> defining the starting magnetic moments per atomic species
+                is available only for metallic systems. To enable the feature, please
+                set the <b>Electronic type</b> to <b>Metal</b> in the <b>Basic
+                settings</b> tab.
+            </div>
+        """)
+
         self.magnetization_type_help = ipw.HTML()
         ipw.dlink(
             (self._model, "type_help"),
@@ -190,6 +199,7 @@ def _switch_widgets(self):
             else:
                 children.extend(
                     [
+                        self.insulator_help,
                         self.magnetization_type_help,
                         self.tot_magnetization_with_unit,
                     ],

src/aiidalab_qe/app/configuration/basic/basic.py

@@ -34,6 +34,10 @@ def render(self):
             (self._model, "electronic_type"),
             (self.electronic_type, "value"),
         )
+        self.electronic_type.observe(
+            self._on_spin_type_change,
+            "value",
+        )
 
         # SpinType: magnetic properties of material
         self.spin_type = ipw.ToggleButtons(style={"description_width": "initial"})
@@ -50,10 +54,20 @@ def render(self):
             "value",
         )
 
+        self.starting_magmom_warning = ipw.HTML(
+            value="""
+                <div class="alert alert-inline alert-info" style="margin-left: 10px;">
+                    <b>Note:</b> only total magnetization can be set for insulators
+                </div>
+            """,
+            layout=ipw.Layout(display="none"),
+        )
+
         self.magnetization_info = ipw.HTML(
             value="""
-                <div style="margin-left: 10px;">
-                    Set the desired magnetic configuration in <b>advanced</b> settings
+                <div class="alert alert-inline alert-info" style="margin-left: 10px;">
+                    <b>Note:</b> set the desired magnetic configuration in <b>advanced
+                    </b> settings
                 </div>
             """,
             layout=ipw.Layout(display="none"),
@@ -135,6 +149,7 @@ def render(self):
                         layout=ipw.Layout(justify_content="flex-start", width="120px"),
                     ),
                     self.electronic_type,
+                    self.starting_magmom_warning,
                 ],
                 layout=ipw.Layout(align_items="baseline"),
             ),
@@ -185,11 +200,21 @@ def render(self):
     def _on_input_structure_change(self, _):
         self.refresh(specific="structure")
 
+    def _on_electronic_type_change(self, _):
+        self._update_info_warning_messages()
+
     def _on_spin_type_change(self, _):
+        self._update_info_warning_messages()
+
+    def _update_info_warning_messages(self):
         if self._model.spin_type == "collinear":
             self.magnetization_info.layout.display = "block"
+            self.starting_magmom_warning.layout.display = (
+                "block" if self._model.electronic_type == "insulator" else "none"
+            )
             if self._model.has_tags:
                 self.warning.layout.display = "flex"
         else:
+            self.starting_magmom_warning.layout.display = "none"
             self.magnetization_info.layout.display = "none"
             self.warning.layout.display = "none"

src/aiidalab_qe/app/static/styles/custom.css

@@ -112,3 +112,8 @@ footer {
 .p-TabBar-tab {
   min-width: fit-content !important;
 }
+
+.alert-inline {
+  padding: 0 5px;
+  margin: -1px;
+}