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VacancyFormationEnergyRelaxationVolume__TD_647413317626_000

Title
A single sentence description.
Monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals
Description Computes the monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals.
Disclaimer
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None
Contributor Junhao Li
Maintainer Eric Fuemmeler
Developer 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_647413317626_000
Extended KIM ID
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VacancyFormationEnergyRelaxationVolume__TD_647413317626_000
Citable Link https://openkim.org/cite/TD_647413317626_000
KIM Item TypeTest Driver
Properties
Properties as defined in kimspec.edn.
KIM API Version1.9.0
Simulator Name
The name of the simulator as defined in kimspec.edn.
ase
Programming Language(s)
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100.00% Python

Tests using this Test Driver



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