Add new source for XAS dielectric function

vasp-dev · Jan 31, 2025 · 753b06e · 753b06e
1 parent 0adf231
commit 753b06e
Showing 1 changed file with 8 additions and 0 deletions.
diff --git a/src/py4vasp/_raw/definition.py b/src/py4vasp/_raw/definition.py
@@ -198,6 +198,14 @@ def selections(quantity):
     dielectric_function=f"{group}/tctc{values}",
     current_current=None,
 )
+schema.add(
+    raw.DielectricFunction,
+    name="xas",
+    required=raw.Version(6, 4),
+    energies=f"{group}/XAS_{energies}",
+    dielectric_function=f"{group}/XAS{values}",
+    current_current=None,
+)
 group = "results/linear_response_kpoints_opt"
 schema.add(
     raw.DielectricFunction,