This notebook shows how to use the output from VASP DFPT calculation and the phonopy interface to plot the phonon bandstructure and density of states.

Requires: phonopy package (pip install phonopy)

Author: Kiran Mathew

Set the structure

Result from VASP DFPT calculations using the supercell structure

Initialize phonopy and set the force constants obtained from VASP

Define the paths for plotting the bandstructure and set them in phonopy

Set the mesh in reciprocal space and plot DOS