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.
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.
Francisco Munoz
Aldo Romero
Sobhit Singh
Uthpala Herath
Pedram Tavadze
Eric Bousquet
Xu He
Please post your questions on our forum.
https://groups.google.com/d/forum/pyprocar
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.
v2.3 May 17,2018 -- Added k path generator.
v2.4 May 18,2018 -- Fixed minor issues with fermi2D and procarsymmetry
v2.5 May 18.2018 -- Fixed issue with Vector
v2.6 May 18,2018 -- Fixed more issues with fermi2D
v2.7 May 18,2018 -- Fixed out-of-bounds error in k path generator.
v2.8 May 23,2018 -- Fixed procar.cat()
v2.9 Jul 29,2018 -- Created PyProcar Mailing list.
v3.0 Sep 17, 2018 -- Added method to compare two PROCARs. Moved to Python3.
v3.1 Sep 19, 2018 -- Minor bug fixes.
v3.2 Nov 26, 2018 -- Moved project to romerogroup.
matplotlib
numpy
scipy
seekpath
pip install pyprocar