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ElasticConstantsHexagonal_hcp_I__TE_686502989415_003

Title
A single sentence description.
Elastic constants for hcp I at zero temperature
Description Given the zero-pressure, zero-temperature lattice constants of hcp I, this Test computes the corresponding elastic constants using numerical differentiation of the potential energy w.r.t. strain of the unit cell.
Species
The supported atomic species.
I
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Computer generated
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
The unique KIM identifier code.
TE_686502989415_003
Extended KIM ID
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ElasticConstantsHexagonal_hcp_I__TE_686502989415_003
Citable Link https://openkim.org/cite/TE_686502989415_003
KIM Item TypeTest
DriverElasticConstantsHexagonal__TD_612503193866_003
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.0
Simulator Name
The name of the simulator as defined in kimspec.edn. This Simulator Name is inhereted from the Test Driver.
ase
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 ElasticConstantsHexagonal_hcp_I__TE_686502989415_002


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