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ElasticConstantsCubic__TD_011862047401_001

Title
A single sentence description.
Elastic constants for cubic crystals
Description 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.
Disclaimer
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.
Contributor Alex Alemi
Maintainer Alex Alemi
Published on KIM 2016
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
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TD_011862047401_001
Extended KIM ID
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ElasticConstantsCubic__TD_011862047401_001
Citable Link https://openkim.org/cite/TD_011862047401_001
KIM Item TypeTest Driver
Properties
Properties as defined in kimspec.edn.
KIM API Version1.6
Programming Language(s)
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100.00% Python
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