Toolbox for electronic structure calculations and large scale transport

Installers

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

conda install

  • linux-64  v0.12.2
  • osx-64  v0.12.2
To install this package 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

Description

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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