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Tip revision: 89c1513b303e4198dc7416f00eed9d25b746fed0 authored by Uthpala Herath on 14 May 2018, 21:52:35 UTC
Updated documentation
Tip revision: 89c1513
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 Mar 21,2018 -- Created PyProcar package version with added support to Abinit. 

v2.1 Apr 03,2018 -- Fixed issue with input arguments when using OUTCAR as an input 

v2.2 May 14,2018 -- Updated documentation.


Installation
------------

	pip install pyprocar	
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