From d9b780be180ee25a1c7244556d3acdb57588d018 Mon Sep 17 00:00:00 2001
From: Frank Niessen <41304940+frankNiessen@users.noreply.github.com>
Date: Thu, 11 May 2023 21:25:17 +0200
Subject: [PATCH] Update README.md

---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index 52b7a67..cee869c 100644
--- a/README.md
+++ b/README.md
@@ -14,7 +14,7 @@ I only implement what I need for my own research and I share it here in the hope
 The program is build to run simple tasks that are defined within *.json* files. Within the example folder, few scripts are provided in which workflows are defined. Workflows comprise a certain order of tasks that are conducted on defined atomic structures given a set of parameters. The folder *settings* contains settings files that can be used in conjunction with different workflows.
 
 ## Examples
-The currently only provided example is on stacking fault energy determination using the axial interaction model (see our recent paper on its application to Fe-C, Fe-N and austenitic stainless steel). Here 4 different relaxation modes are offered: volume relaxation, relaxation of the c/a ratio, volume relaxation and relaxation of the c/a ratio, and no relaxation at all. Finally, the SFE value is determined using the axial interaction model.
+The currently only provided example is on stacking fault energy determination using the axial interaction model (see our [recent paper](https://github.com/frankNiessen/ASE_VASP_automation/blob/master/examples/SFE_AIM_Fe/Niessen_Li_Werner_Lu_Vitos_Villa_Somers_2023.pdf) on its application to Fe-C, Fe-N and austenitic stainless steel). Here 4 different relaxation modes are offered: volume relaxation, relaxation of the c/a ratio, volume relaxation and relaxation of the c/a ratio, and no relaxation at all. Finally, the SFE value is determined using the axial interaction model.
 
 ## Parallelization
 The scripts can be run as-is on a personal computer, by default it will do so with *kpar = 1* and *ncore = 1*. If you have **VASP** and **ASE** installed on a High Performance Cluster (*HPC*), or if you have a parallelized version of **VASP** compiled on your personal computer, you can supply the arguments *kpar* and *ncore* on the command line. As an example, you can run the calculations with *kpar = 2* and *ncore = 16* by executing: