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ASE Manual, Release 3.6.1.2828 202 Chapter 13. Porting old ASE-2 code to version 3
BIBLIOGRAPHY [Alfe] D. Alfe, PHON: A program to calculate phonons using the small displacement method, Comput. Phys. Commun. 180, 2622 (2009) [Wang] Y. Wang et al., A mixed-space approach to first-principles calculations of phonon frequencies for polar materials, J. Phys.: Cond. Matter 22, 202201 (2010) [MonkhorstPack] Hendrik J. Monkhorst and James D. Pack: Special points for Brillouin-zone integrations, Phys. Rev. B 13, 5188–5192 (1976) [Bader] R. F. W. Bader. Atoms in Molecules: A Quantum Theory. Oxford University Press, New York, 1990. [Tang] W. Tang, E. Sanville, G. Henkelman. A grid-based Bader analysis algorithm without lattice bias. J. Phys.: Compute Mater. 21, 084204 (2009). [Cordeo08] Covalent radii revisited, Beatriz Cordero, Verónica Gómez, Ana E. Platero-Prats, Marc Revés, Jorge Echeverría, Eduard Cremades, Flavia Barragán and Santiago Alvarez, Dalton Trans., 2008, 2832-2838 DOI:10.1039/B801115J 203
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