From d3f7f5f2e790511a17db34a488ce40439df18df8 Mon Sep 17 00:00:00 2001
From: WU2JING <68996784+WU2JING@users.noreply.github.com>
Date: Tue, 18 May 2021 11:20:05 +0800
Subject: [PATCH] Create get.sh

---
 phonoLAMMPS/get.sh | 5 +++++
 1 file changed, 5 insertions(+)
 create mode 100644 phonoLAMMPS/get.sh

diff --git a/phonoLAMMPS/get.sh b/phonoLAMMPS/get.sh
new file mode 100644
index 0000000..873750f
--- /dev/null
+++ b/phonoLAMMPS/get.sh
@@ -0,0 +1,5 @@
+### The script can be used after optimizing structure
+rm band.dat
+phonolammps in.lammps -c POSCAR --dim 5 5 1  
+phonopy --dim="5 5 1" -c POSCAR band.conf
+phonopy-bandplot --gnuplot band.yaml > band.dat