SpecialQuasirandomStructures

Code for generating alloy / disordered structures through the special quasirandom structure (SQS) algorithm

Installation

  • Manual Installation Put sqs.py in any directory and add the path of the directory to PYTHONPATH

export PYTHONPATH=/the/path/of/your/dir:${PYTHONPATH}

Examples in the examples folder

  • Si1-xGex alloy (2D)
  • GaAs with Mn impurities on Ga sublattices (3D)

GitHub

View Github