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Elastic constants for hexagonal crystals at zero temperature v003
https://doi.org/10.25950/2e4b93d9
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Computes the elastic constants for hcp crystals by calculating the hessian of the energy density with respect to strain. An estimate of the error associated with the numerical differentiation performed is reported.
Junhao Li
Junhao Li
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OpenKIM
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DOI registered
December 28, 2018
via DataCite
Software published 2018 in
Open Knowledgebase of Interatomic Models (OpenKIM)
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