From 924ce717130fc04f8bc23325e32a953eed2a9d63 Mon Sep 17 00:00:00 2001
From: GAUDRY Emilie <emilie.gaudry@univ-lorraine.fr>
Date: Thu, 15 Aug 2024 10:06:09 +0000
Subject: [PATCH] Update file AEM_image.py
---
Minimum_Working_Exemple/AEM_image.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/Minimum_Working_Exemple/AEM_image.py b/Minimum_Working_Exemple/AEM_image.py
index 60e2abb..327079f 100644
--- a/Minimum_Working_Exemple/AEM_image.py
+++ b/Minimum_Working_Exemple/AEM_image.py
@@ -10,7 +10,7 @@ plt.rcParams['axes.linewidth'] = 1.5
def read_regu_all(result_path):
- #Eslab and mu are the energy of the slab and the adsorbate alone.
+ #Eslab and mu are the energies in eV of the slab and the adsorbate alone.
#It needs to be manually changed to get the adsorption energy Eads=Etot-Eslab-mu
Eslab=-33.14301679*4
mu = -6.762788/2
--
GitLab