Metadata-Version: 2.1
Name: vasprun-xml
Version: 1.0.2
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
Description: [![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
        
        
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
