Metadata-Version: 2.1
Name: vasprun-xml
Version: 1.0.3
Summary: A python package for quick analysis of vasp calculation
Home-page: https://github.com/qzhu2017/vasprun
Author: Qiang Zhu
Author-email: qiang.zhu@unlv.edu
License: MIT
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6.1
Description-Content-Type: text/markdown

[![Downloads](https://pepy.tech/badge/vasprun)](https://pepy.tech/project/vasprun)
[![python](https://img.shields.io/pypi/pyversions/vasprun-xml)](https://pypi.org/project/vasprun-xml/)
[![version](https://img.shields.io/pypi/v/vasprun-xml)](https://pypi.org/project/vasprun-xml/)
[![Documentation Status](https://readthedocs.org/projects/vasprun-xml/badge/?version=latest)](https://vasprun-xml.readthedocs.io/en/latest/?badge=latest)


vasprun-xml is used for quick analysis of vasp calculation solely from vasprun.xml. It has the following features:

- band gap calculation
- dos plot (total dos / orbital partial dos / atomic partial dos)
- band structure plot (with color map enhancement)
- incar/potcar/poscar generation
- force analysys
- KS orbital eigenvalue analysys
- dynamical matrix (to add)
- elastic constants (to add)
- dielectric constants (to add)

A full documentation has been moved to https://vasprun-xml.readthedocs.io/en/latest/index.html



