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Recently, I. Mosyagin, A.V. Lugovskoy, O.M. Krasilnikov, Yu.Kh. Vekilov, S.I.Simak and I.A. Abrikosov in the paper: "Ab initio calculations ofpressure-dependence of high-order elastic constants using finite deformationsapproach"[Computer Physics Communications 220 (2017) 2030] presented adescription of a technique for ab initio calculations of the pressuredependence of second- and third-order elastic constants. Unfortunately, thework contains serious and fundamental flaws in the field of finite-deformationsolid mechanics.

computer physics communications

A comment on "Ab initio calculations of pressure-dependence of  high-order elastic constants using finite deformations approach" by I.  Mosyagin, A.V. Lugovskoy, O.M. Krasilnikov, Yu.Kh. Vekilov, S.I. Simak and  I.A. Abrikosov