Recent developments in PyProcar: A Python library for electronic structure pre/post-processing

We present our recent updates to PyProcar, a robust, open-source Python package providing graphical representations for electronic structure calculations. PyProcar is capable of performing a multitude of tasks including plotting plain and spin/atom/orbital projected band structures and Fermi surfaces (in 2D and 3D), unfolding bands of a super cell into predefined unit cell, comparing band structures from multiple DFT calculations, plotting PDOS and generating a k-path for a given crystal structure. Additionally, PyProcar plots Fermi surfaces which map colors depending on other properties (e.g. electron velocity, electron-phonon mean path, effective mass) when provided a file with a desired specific property evaluated for each k-point in a k-mesh and for each band. PyProcar can be conveniently used in a stand-alone command line mode or a library mode, accessible through the Python packaging index and conda. It currently supports VASP, Elk, Quantum Espresso, Abinit, Lobster and Siesta.