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Reply to the comment by M. Mazdziarz on the article "Ab initio calculations of pressure-dependence of high-order elastic constants using finite deformations approach" [Computer Physics Communications 220 (2017) 20-30]
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. NUST MISTS, Russia.
NUST MISTS, Russia.
NUST MISTS, Russia; NUST MISTS, Russia.
NUST MISTS, Russia; NUST MISTS, Russia.
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2019 (English)In: Computer Physics Communications, ISSN 0010-4655, E-ISSN 1879-2944, Vol. 235, p. 295-296Article in journal, Editorial material (Other academic) Published
Abstract [en]

Marcin Mazdziarz has published a comment on our recent paper by I. Mosyagin, A.V. Lugovskoy, O.M. Krasilnikov, Yu.Kh. Vekilov, S.I. Simak and L.A. Abrikosov titled "Ab initio calculations of pressure dependence of high-order elastic constants using finite deformations approach" [Computer Physics Communications 220 (2017)2030]. The author states that there are serious fundamental errors and flaws. In this reply we clarify all misunderstanding mentioned in the said comment. (C) 2018 Published by Elsevier B.V.

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 2019. Vol. 235, p. 295-296
Keywords [en]
Ab initio calculations; Elastic moduli; Pressure effects in solids and liquids; Finite deformations
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-153493DOI: 10.1016/j.cpc.2018.06.007ISI: 000451491100028OAI: oai:DiVA.org:liu-153493DiVA, id: diva2:1274658
Note

Funding Agencies|Swedish Research Council [2015-04391, 2014-4750]; Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University [2009 00971]; Ministry of Education and Science of the Russian Federation [K2-2017-080, 14.Y26.31.0005]

Available from: 2019-01-02 Created: 2019-01-02 Last updated: 2019-03-25

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The full text will be freely available from 2020-06-19 15:55
Available from 2020-06-19 15:55

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