The ElasticConstantsHexagonal driver used an orthorhombic unit cell construction and then transformed the results into the typical elastic constants for a hexagonal crystal. This is no longer supported in recent versions of ASE, and these tests will be superseded by elastic constant tests for all crystal structures based on the Crystal Genome framework in the near future.
A single sentence description.
|Elastic constants for hcp Ac at zero temperature v004|
|Description||Given the zero-pressure, zero-temperature lattice constants of hcp Ac, this Test computes the corresponding elastic constants using numerical differentiation of the potential energy w.r.t. strain of the unit cell.|
The supported atomic species.
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|Published on KIM||2019|
|How to Cite||
This Test originally published in  is archived in OpenKIM [2-5].
 Huntington HB. The Elastic Constants of Crystals. Solid State Physics. 1958;7:213–351. doi:10.1016/S0081-1947(08)60553-6
 Li J. Elastic constants for hcp Ac at zero temperature v004 [Internet]. OpenKIM; 2019. Available from: https://openkim.org/cite/TE_012650326727_004
 Li J. Elastic constants for hexagonal crystals at zero temperature v004. OpenKIM; 2019. doi:10.25950/d794c746
 Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6
 Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563aClick here to download the above citation in BibTeX format.
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|KIM Item Type||Test|
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|KIM API Version||2.0|
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|Model||Test Results||Link to Test Results page||Benchmark time
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Measured in Millions of Whetstone Instructions (MWI)
|ElasticConstantsHexagonal_hcp_Ac__TE_012650326727_004.txz||Tar+XZ||Linux and OS X archive|
This Test requires a Test Driver. Archives for the Test Driver ElasticConstantsHexagonal__TD_612503193866_004 appear below.
|ElasticConstantsHexagonal__TD_612503193866_004.txz||Tar+XZ||Linux and OS X archive|