add vdw to bulks

FAIR-Chem · Jul 23, 2024 · fec9896 · fec9896
1 parent 222a890
commit fec9896
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/src/fairchem/data/oc/utils/vasp_flags.py b/src/fairchem/data/oc/utils/vasp_flags.py
@@ -64,6 +64,7 @@
     "ibrion": 2,
     "nsw": 100,
     "isif": 3,
+    "ivdw": 11,
     "ispin": 2,
     "ismear": 0,
     "ediff": 1e-6,