title: Accurate determination of crystal structures based on averaged local bond order parameters.
abstract: Local bond order parameters based on spherical harmonics, also known as Steinhardt order parameters, are often used to determine crystal structures in molecular simulations. Here we propose a modification of this method in which the complex bond order vectors are averaged over the first neighbor shell of a given particle and the particle itself. As demonstrated using soft particle systems, this averaging procedure considerably improves the accuracy with which different crystal structures can be distinguished.
authors.affiliation: Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna, Austria.
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Lechner
authors.forename: Christoph
authors.initials: C
authors.lastname: Dellago