Create get.sh

WU2JING · May 18, 2021 · d3f7f5f · d3f7f5f
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diff --git a/phonoLAMMPS/get.sh b/phonoLAMMPS/get.sh
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+### 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