From a7a8a13d15bedc03584dcf655b09d5d2fe137f27 Mon Sep 17 00:00:00 2001
From: Pierre-Francois Loos <pierrefrancois.loos@gmail.com>
Date: Mon, 10 Jul 2023 20:07:04 +0200
Subject: [PATCH] Update README.md

---
 README.md | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/README.md b/README.md
index 6bd18f8..4746178 100644
--- a/README.md
+++ b/README.md
@@ -55,3 +55,8 @@ options:
   -x XYZ, --xyz XYZ     Name of the file containing the nuclear coordinates in xyz format in the $QUACK_ROOT/mol/ directory without the .xyz
                         extension
 '''
+
+For example, if you want to run a calculation on water using the cc-pvdz basis set:
+```
+QuAcK 💩 % python PyDuck.py -x water -b cc-pvdz
+'''