Toolbox for electronic structure calculations and large scale transport


Info: This package contains files in non-standard labels.

conda install

  • linux-64  v0.11.0
  • osx-64  v0.11.0
To install this package with conda run one of the following:
conda install -c conda-forge sisl
conda install -c conda-forge/label/broken sisl
conda install -c conda-forge/label/cf201901 sisl
conda install -c conda-forge/label/cf202003 sisl


sisl is a tool to manipulate density functional theory code input and/or output. It also implements tight-binding tools to create and manipulate multi-orbital (non)-orthogonal basis sets.

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