A single sentence description.
|Elastic constants for hexagonal crystals at zero temperature|
Measures the hexagonal elastic constants for hcp structure by calculating the hessian of the energy density with respect to strain. Error estimate is reported due to the numerical differentiation.|
This version fixes the number of repeats in the species key and the coordinate of the 2nd atom in the normed basis.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|Computes elastic constants with numerical deriviatives of the strain of the unit cell.|
|Published on KIM||2017|
|How to Cite||Click here to download this citation in BibTeX format.|
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|KIM Item Type||Test Driver|
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|KIM API Version||1.9.0|
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|ElasticConstantsHexagonal__TD_612503193866_002.txz||Tar+XZ||Linux and OS X archive|