A single sentence description.
|Elastic constants for cubic crystals at zero temperature|
Measures the cubic elastic constants for some common crystal types (fcc, bcc, sc) 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.
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|
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|KIM Item Type||Test Driver|
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|KIM API Version||1.9.0|
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