specify metal in surfaceThermoLi

mjohnson541 · mjohnson541 · commit 414575c2cf8a · 2023-06-03T19:23:55.000-07:00
diff --git a/input/thermo/libraries/surfaceThermoLi.py b/input/thermo/libraries/surfaceThermoLi.py
@@ -23,4 +23,6 @@
         H298 = (0,'kcal/mol'),
         S298 = (0,'cal/(mol*K)'),
     ),
+    metal = "Li",
+    facet = "110",
 )
