Metadata-Version: 2.1
Name: pyw90
Version: 1.0.2
Summary: A tool interfaced to VASP and Wannier90 with projection analysis and automatically dis energy window optimization
Home-page: https://github.com/Cloudiiink/pyw90
License: GPL-3.0-only
Keywords: python,vasp,wannier90,tight-binding,solid-state-physics
Author: En Wang (Cloudiiink)
Author-email: wangenzj@gmail.com
Requires-Python: >=3.8,<3.12
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Natural Language :: English
Classifier: Operating System :: Unix
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Dist: PyYAML
Requires-Dist: matplotlib (>=3.4)
Requires-Dist: numpy (>=1.20.1)
Requires-Dist: pandas
Requires-Dist: pymatgen
Requires-Dist: scipy (>=1.8)
Description-Content-Type: text/markdown

# pyw90

A tool interfaced to VASP and Wannier90 with projection analysis and automatically dis energy window optimization.

Key features includes: 

1. Show distribution of eigenvalues.
2. Pre-analysis before `Wannier90` interpolation with projection and dis energy window recommendation
3. Auto Wannier90 Fit. Using minimize method to choose the most suitable dis energy windows. 4. Comparison. Show difference between VASP bands and Wannier90 bands via plotting and report. '
