Vorotis

Vorotis is software for performing Voronoi tessellation analysis of the atomic structure of materials [1]. It consists of Fortran programs, a Csh script, and Python scripts. The novelty of Vorotis lies in its function to encode Voronoi polyhedra using the polyhedron code (p₃ code) [2-4]. The p₃ code not only solves the degeneracy problem of the Voronoi index but also makes it possible to characterize the chemi-topological order of multi-component systems. As another distinguished feature, Vorotis has a function to identify crystalline atoms by the local translational order parameter developed in Ref. [5].

[1] K. Nishio, Vorotis: Software for Voronoi tessellation analysis using the polyhedron code, Comput. Phys. Commun. 278 (2022) 108418.

[2] K. Nishio, T. Miyazaki, How to describe disordered structures, Sci. Rep. 6 (2016) 23455.

[3] K. Nishio, T. Miyazaki, Describing polyhedral tilings and higher dimensional polytopes by sequence of their two-dimensional components, Sci. Rep. 7 (2017) 40269.

[4] K. Nishio, T. Miyazaki, Notation for chemical arrangements in alloys, Phys. Rev. Research 2 (2020) 023193.

[5] K. Nishio, A. K. A. Lu, Can every substance exist as an amorphous solid?, J. Non-Cryst. Solids 576 (2022) 121254.