/PyProcar

A python package for analyzing PROCAR files obtained from VASP and Abinit

Primary LanguagePythonGNU General Public License v3.0GPL-3.0

PyProcar

PyProcar provides a set of scripts that manage the PROCAR file obtained from Vasp and Abinit. Basically, the PROCAR file 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. Here you will find scripts that help you in digging the information from it and plot it in a nice and friendly process.

Usage

Typical use is as follows

#!/usr/bin/env python
import pyprocar 
pyprocar.bandsplot('PROCAR',outcar='OUTCAR',mode='parametric')

Refer to the documentation for further details.

Contributors

Francisco Munoz
Aldo Romero
Sobhit Singh
Uthpala Herath
Pedram Tavadze
Eric Bousquet
Xu He

Changes

v0.1.0, June 10, 2013 -- Initial release.

v2.0 Mar21, 2018 -- Created PyProcar package version with added support for Abinit.

Installation

From SOURCEFORGE (We will be shifting to github soon.)
https://sourceforge.net/projects/pyprocar/
Download the pyprocar package and cd into the root directory.Then,

>sudo python setup.py install

From PyPI

>pip install pyprocar