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sisl

Tight-binding

General information

Code homepage: https://github.com/zerothi/sisl

Full documentation: https://zerothi.github.io/sisl/index.html

Source code: https://github.com/zerothi/sisl

Detailed information

Short description: sisl is an open-source easy-to-use density functional theory APIframework to post-analyse density functional theory codes output as wellas providing tight-binding calculation capabilities. It couples to a widerange of density functional theory codes and has a high connection withLCAO codes such as Siesta. The tight-binding matrices can be used innon-equilibrium Green function calculations with TBtrans as a backend.