diff --git a/Minimum_Working_Exemple/AEM_image.py b/Minimum_Working_Exemple/AEM_image.py index 60e2abb20a876d12d9dcb3d41e24f4ce9b8c34ff..9e90c8ed70fb928e8db0f0d2a6c9b0bf19f96ccc 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