CMD + K

pyprocar

Community

A Python library for electronic structure pre/post-processing.

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::pyprocar

Usage Tracking

6.5.0
6.4.6
6.4.5
6.4.4
6.4.3
5 / 8 versions selected
Downloads (Last 6 months): 0

Description

PyProcar is a robust, open-source Python library used for pre- and post-processing of the electronic structure data coming from DFT calculations. PyProcar provides a set of functions that manage data obtained from the PROCAR format. Basically, the PROCAR format is a projection of the Kohn-Sham states over atomic orbitals. That projection is performed to every k-point in the considered mesh, every energy band and every atom. PyProcar is capable of performing a multitude of tasks including plotting plain and spin/atom/orbital projected band structures and Fermi surfaces- both in 2D and 3D, Fermi velocity plots, unfolding bands of a super cell, comparing band structures from multiple DFT calculations, plotting partial density of states and generating a k-path for a given crystal structure.

About

Summary

A Python library for electronic structure pre/post-processing.

Last Updated

Jun 20, 2025 at 23:24

License

GPL-3.0-only

Total Downloads

109.4K

Supported Platforms

noarch

Unsupported Platforms

linux-64 Last supported version: 5.4.1
macOS-64 Last supported version: 5.4.1
win-64 Last supported version: 5.4.1