Generating derivative structures from multilattices : Algorithm and application to hcp alloys

@inproceedings{Hart2009GeneratingDS,
  title={Generating derivative structures from multilattices : Algorithm and application to hcp alloys},
  author={Gus L. W. Hart and Rodney W. Forcade},
  year={2009}
}
We present an algorithm for generating all derivative superstructures of a nonprimitive parent lattice. The algorithm has immediate application in important materials design problems such as modeling hexagonalclose-packed hcp alloys. Extending the work of Hart and Forcade Phys. Rev. B 77, 224115 2008 which applies only to Bravais lattices , this approach… CONTINUE READING