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

K. Okhotnikov 1, *
* Corresponding author
1 LSDRM - Laboratoire Structure et Dynamique par Résonance Magnétique (LCF)
NIMBE UMR 3685 - Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Energie (ex SIS2M)
Abstract : 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.
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Preprints, Working Papers, ...
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Submitted on : Thursday, October 13, 2016 - 11:58:02 AM
Last modification on : Wednesday, December 15, 2021 - 11:20:14 AM

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  • HAL Id : cea-01380631, version 1
  • ARXIV : 1606.08062

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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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