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ElasticConstantsCubic__TD_011862047401_002

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.

This version fixes the number of repeats in the species key.
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 Junhao Li
Maintainer Junhao Li
Published on KIM 2016
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TD_011862047401_002
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
ElasticConstantsCubic__TD_011862047401_002
Citable Link https://openkim.org/cite/TD_011862047401_002
KIM Item TypeTest Driver
Properties
Properties as defined in kimspec.edn.
KIM API Version1.6
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python
Previous Version ElasticConstantsCubic__TD_011862047401_001

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