A single sentence description.
|Equilibrium lattice constants for hexagonal bulk structures|
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.
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|Published on KIM||2017|
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|KIM Item Type||Test Driver|
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|KIM API Version||1.9.0|
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|LatticeConstantHexagonalEnergy__TD_942334626465_003.txz||Tar+XZ||Linux and OS X archive|