MAELAS: MAgneto-ELAStic properties calculation via computational high-throughput approach

2021 
In this work, we present the program MAELAS to calculate anisotropic magnetostrictive coefficients and magnetoelastic constants in an automated way by Density Functional Theory calculations. To illustrate the methodology of MAELAS, we present a review of the theoretical background of magnetostriction for the main crystal symmetries in this field that are implemented in the code. As a benchmark, some tests are shown for well-known magnetic materials.
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