swh:1:snp:dfcf3bb19192eb42aeeea65a6361743d98eb0413
Tip revision: 5ac3d3150529711cedaa6ed93f7d3e95facf39bb authored by Uthpala Herath on 25 March 2018, 16:14:06 UTC
Update README.md
Update README.md
Tip revision: 5ac3d31
README.md
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 <br />
Aldo Romero <br />
Sobhit Singh <br />
Uthpala Herath <br />
Pedram Tavadze <br />
Eric Bousquet <br />
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.)<br />
https://sourceforge.net/projects/pyprocar/ <br/>
Download the pyprocar package and cd into the root directory.Then,
>sudo python setup.py install
From PyPI
>pip install pyprocar