From 173b8bf3dcce02e1c7b314d4e8833fe38934aa49 Mon Sep 17 00:00:00 2001
From: Emmanuel Giner <giner.emmanuel@gmail.com>
Date: Tue, 26 Mar 2019 15:03:58 +0100
Subject: [PATCH] added Inputs_G1

---
 Ref/Inputs_G1/README          | 4 ++++
 Ref/Inputs_G1/script_G2_VD.sh | 0
 2 files changed, 4 insertions(+)
 create mode 100644 Ref/Inputs_G1/README
 mode change 100644 => 100755 Ref/Inputs_G1/script_G2_VD.sh

diff --git a/Ref/Inputs_G1/README b/Ref/Inputs_G1/README
new file mode 100644
index 0000000..efe7408
--- /dev/null
+++ b/Ref/Inputs_G1/README
@@ -0,0 +1,4 @@
+First create the ezfio for all set of molecule: 
+./create_ezfio_from_g09_xyz.sh cc-pvdz # here in the cc-pvdz basis for instance
+then shoot the ROHF and DFT correction 
+sbatch script_G2_VD.sh
diff --git a/Ref/Inputs_G1/script_G2_VD.sh b/Ref/Inputs_G1/script_G2_VD.sh
old mode 100644
new mode 100755