https://github.com/aromanro/apw

Augmented Plane Waves (both APW and LAPW), band structure computation
https://github.com/aromanro/apw

apw augmented-plane-waves computational-physics condensed-matter condensed-matter-physics electronic-structure electronic-structure-calculations lapw numerov numerov-method quantum-mechanics schrodinger-equation vtk vtk-applications wx-widgets wxwidgets-applications

Last synced: 2 months ago
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Augmented Plane Waves (both APW and LAPW), band structure computation

• Host: GitHub
• URL: https://github.com/aromanro/apw
• Owner: aromanro
• License: gpl-3.0
• Created: 2019-11-06T19:04:44.000Z (over 5 years ago)
• Default Branch: master
• Last Pushed: 2024-02-07T10:53:18.000Z (over 1 year ago)
• Last Synced: 2025-02-28T10:04:11.367Z (3 months ago)
• Topics: apw, augmented-plane-waves, computational-physics, condensed-matter, condensed-matter-physics, electronic-structure, electronic-structure-calculations, lapw, numerov, numerov-method, quantum-mechanics, schrodinger-equation, vtk, vtk-applications, wx-widgets, wxwidgets-applications
• Language: C++
• Homepage:
• Size: 226 KB
• Stars: 13
• Watchers: 4
• Forks: 2
• Open Issues: 3
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# APW

Augmented Plane Waves (both APW and LAPW), band structure computation

[![Codacy Badge](https://api.codacy.com/project/badge/Grade/7112f322df8c4369accd666a16bbcf60)](https://app.codacy.com/gh/aromanro/APW?utm_source=github.com&utm_medium=referral&utm_content=aromanro/APW&utm_campaign=Badge_Grade_Settings)

[![CodeFactor](https://www.codefactor.io/repository/github/aromanro/apw/badge)](https://www.codefactor.io/repository/github/aromanro/apw)

Band structure for Cu, using augmented plane waves, the main reference is Computational Physics by Jos Thijssen

https://www.cambridge.org/core/books/computational-physics/BEE73B0139D4A9993193B57CDC62096E

Description is on Computational Physics Blog: https://compphys.go.ro/augmented-plane-waves/

### PROGRAM IN ACTION

[![Program video](https://img.youtube.com/vi/4qOcv9kfnYw/0.jpg)](https://youtu.be/4qOcv9kfnYw)