VaspFermipy: A Python toolset for Fermi surface calculations in DFT (VASP)

Introduction

VaspFermipy is desgined to be a python toolset for calculating and visualizing the Fermi surface in Density Functional Theory (DFT) calculations. At present, only VASP has been supported.

Installation

• Step 1: install vaspfermipy to your virtual environment

To install vaspfermipy

$ git clone https://github.com/yw-fang/vaspfermipy.git

$ cd vaspfermipy

$ python setup.py install

Usage

• Generate KPOINTS with k-mesh of 3 * 4 * 5

$ genk_fs -k 3 4 5

or

$ genk_fs --kmesh 3 4 5

License

MIT LICENSE. See LICENSE file for more details.

Author

Yue-Wen FANG