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ElasticConstantsCubic__TD_011862047401_004

Title
A single sentence description.
Elastic constants for cubic crystals at zero temperature and pressure v004
Description Computes the cubic elastic constants for some common crystal types (fcc, bcc, sc) by calculating the hessian of the energy density with respect to strain. An estimate of the error associated with the numerical differentiation performed is reported.
Disclaimer
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None
Contributor Junhao Li
Maintainer Junhao Li
Published on KIM 2018
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
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TD_011862047401_004
Extended KIM ID
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ElasticConstantsCubic__TD_011862047401_004
DOI 10.25950/75393d88
https://doi.org/10.25950/75393d88
https://search.datacite.org/works/10.25950/75393d88
KIM Item TypeTest Driver
Properties
Properties as defined in kimspec.edn.
KIM API Version2.0
Simulator Name
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ase
Programming Language(s)
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100.00% Python
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