swh:1:snp:dfcf3bb19192eb42aeeea65a6361743d98eb0413
Tip revision: 24c9aa6f7c3c1c89988b6f6d22e3cb2627d115f6 authored by Uthpala Herath on 03 April 2018, 18:10:57 UTC
Fixed issue with input arguments when using OUTCAR as an input
Fixed issue with input arguments when using OUTCAR as an input
Tip revision: 24c9aa6
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
Installation
------------
>pip install pyprocar