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LatticeConstantHexagonalEnergy__TD_942334626465_004

Title
A single sentence description.
Equilibrium lattice constants for hexagonal bulk structures at zero temperature and pressure v004
Description Calculates lattice constant of hexagonal bulk structures at zero temperature and pressure by using simplex minimization to minimize the potential energy.
Disclaimer
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None
Contributor Junhao Li
Maintainer Junhao Li
Publication Year 2018
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
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TD_942334626465_004
Extended KIM ID
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LatticeConstantHexagonalEnergy__TD_942334626465_004
DOI 10.25950/25bcc28b
https://doi.org/10.25950/25bcc28b
https://search.datacite.org/works/10.25950/25bcc28b
KIM Item TypeTest Driver
Properties
Properties as defined in kimspec.edn.
KIM API Version2.0
Simulator Name
The name of the simulator as defined in kimspec.edn.
ase
Programming Language(s)
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100.00% Python
Previous Version LatticeConstantHexagonalEnergy__TD_942334626465_003

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