From 7f620373ce2dc1296d6ae94d8598d3302bfc7012 Mon Sep 17 00:00:00 2001 From: singularitti Date: Mon, 20 Nov 2023 01:43:16 -0500 Subject: [PATCH] Add examples/Ge/md.yaml --- examples/Ge/md.yaml | 17 +++++++++++++++++ 1 file changed, 17 insertions(+) create mode 100644 examples/Ge/md.yaml diff --git a/examples/Ge/md.yaml b/examples/Ge/md.yaml new file mode 100644 index 0000000..5af0f86 --- /dev/null +++ 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