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Equilibrium lattice constants for hexagonal bulk structures at zero temperature and pressure v004
https://doi.org/10.25950/25bcc28b
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Calculates lattice constant of hexagonal bulk structures at zero temperature and pressure by using simplex minimization to minimize the potential energy.
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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