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MedeA® MT in Depth: Forsterite Mg₂SiO₄
MEDEA's MT-Elastic Properties automates the calculation of elastic properties from first-principles.
For a given input system, MT applies symmetry-relevant strains and computes the resulting stress tensor for each deformed structure. The elastic properties are derived by a multi-dimensional least-square fit of the strain-stress data.
This document aims to give a detailed summary of MT’s text output (Job.out)
using the Forsterite Mg₂SiO₄ (Pearsons.1406391) as an example.
The computational approach is from Paul Saxe and published.