Python script for generating points of high symmetry in band structure calculation. Currently this code supports Quantum Espresso
Prerequisites for kpath are listed below.
Python 2.7 or above
Gnuplot
kpath is written with simple python syntax. So, porting the code across the platforms should not be an issue. However, if you face practicalities in using this script, please feel free to report the issue. We will get that sorted out.
Installing kpath is much simpler as like an usual package
Clone this git reposistory with the below command line
git clone https://github.com/rajeshprasanth/kpath.git
cd kpath
Usage :: kpath.py [Bravias_Lattice] [a] [b] [c] [alpha] [beta] [gamma] [kpath_fileout]
kpath.py CUB 3.4 3.4 3.4 90. 90. 90. kpath
Current stable version is 0.0.1
- Rajesh Prashanth Anandavadivel - Initial work - Rajesh Prashanth Anandavadivel
This project is licensed under the GNU GPL -v3 - see the LICENSE file for details
- [aflow] (http://materials.duke.edu/awrapper.html)
- [Quantum Espresso] (www.quantum-espresso.org)