Add examples/Ge/md.yaml

MineralsCloud · Nov 20, 2023 · 7f62037 · 7f62037
1 parent 3150dda
commit 7f62037
Showing 1 changed file with 17 additions and 0 deletions.
diff --git a/examples/Ge/md.yaml b/examples/Ge/md.yaml
@@ -0,0 +1,17 @@
+recipe: vc-md
+cli:
+  mpi:
+    np: 16
+template: md.in
+at:
+  pressures:
+    unit: GPa
+    numbers:
+      - -5
+      - -2
+      - 0
+      - 5
+      - 10
+      - 15
+      - 17
+      - 20