Comment on 'Symmetry and random sampling of symmetry independent configurations for the simulation of disordered solids' - CEA - Commissariat à l’énergie atomique et aux énergies alternatives Accéder directement au contenu
Pré-Publication, Document De Travail Année : 2016

Comment on 'Symmetry and random sampling of symmetry independent configurations for the simulation of disordered solids'

Résumé

The proposed algorithm by Philippe D'Arco et al. 2013 J. Phys.: Condens. Matter 25 355401 was not well compared with other possible solutions for symmetry independent configuration (SIC) generation. In this comment, three well known solutions of SIC searching are discussed: exhaustive explorations, pure random sampling and " symmetry imposed " approaches. It is shown, that the advantages of the algorithm published by Philippe D'Arco et al. are questionable.

Domaines

Matériaux

Dates et versions

cea-01380631 , version 1 (13-10-2016)

Identifiants

Citer

K. Okhotnikov. Comment on 'Symmetry and random sampling of symmetry independent configurations for the simulation of disordered solids'. 2016. ⟨cea-01380631⟩
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