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A single sentence description.
Equilibrium lattice constants for hexagonal bulk structures
Description Calculates lattice constant by minimizing energy function.

This version fixes the output format problems in species and stress, and adds support for PURE and OPBC neighbor lists. The cell used for calculation is switched from a hexagonal one to an orthorhombic one to comply with the requirement of OPBC.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Contributor Junhao Li
Maintainer Junhao Li
Published on KIM 2017
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
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Citable Link https://openkim.org/cite/TD_942334626465_003
KIM Item TypeTest Driver
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KIM API Version1.9.0
Simulator Name
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Programming Language(s)
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100.00% Python
Previous Version LatticeConstantHexagonalEnergy__TD_942334626465_002

Tests using this Test Driver

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