https://github.com/aromanro/kkr

Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
https://github.com/aromanro/kkr

computational-physics condensed-matter condensed-matter-physics electronic-structure electronic-structure-calculations kkr korringa-kohn-rostoker numerov physics quantum-mechanics schrodinger-equation vtk vtk-applications wx-widgets wxwidgets-applications

Last synced: over 1 year ago
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Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation

• Host: GitHub
• URL: https://github.com/aromanro/kkr
• Owner: aromanro
• License: gpl-3.0
• Created: 2019-12-26T10:21:41.000Z (over 6 years ago)
• Default Branch: master
• Last Pushed: 2024-02-07T11:10:17.000Z (over 2 years ago)
• Last Synced: 2025-03-16T21:01:56.292Z (over 1 year ago)
• Topics: computational-physics, condensed-matter, condensed-matter-physics, electronic-structure, electronic-structure-calculations, kkr, korringa-kohn-rostoker, numerov, physics, quantum-mechanics, schrodinger-equation, vtk, vtk-applications, wx-widgets, wxwidgets-applications
• Language: C++
• Homepage:
• Size: 119 KB
• Stars: 19
• Watchers: 4
• Forks: 6
• Open Issues: 4
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
# KKR

Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation

[![Codacy Badge](https://api.codacy.com/project/badge/Grade/a3d6c7408abc48a7b8e93c495a26b2c1)](https://app.codacy.com/gh/aromanro/KKR?utm_source=github.com&utm_medium=referral&utm_content=aromanro/KKR&utm_campaign=Badge_Grade_Settings)

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

Cu band structure computation using a pseudopotential.

Info on the Computational Physics Blog: https://compphys.go.ro/korringa-kohn-rostoker-method/

### PROGRAM IN ACTION

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