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A single sentence description.
Cohesive energy versus shear parameter relation for a cubic crystal
Description This test driver is used to test a lattice invariant shear path in a cubic crystal based on cb-kim code. Initial guess of lattice parameter, shear direction vector, shear plane normal vector, relaxation optional key need to be set as input. The output will be first PK stress, stiffness matrix, cohesive energy, and displacement of shuffle (if relaxation optional key is given)
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Contributor Jiadi Fan
Maintainer Jiadi Fan
Published on KIM 2016
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
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Citable Link https://openkim.org/cite/TD_083627594945_000
KIM Item TypeTest Driver
Properties as defined in kimspec.edn.
KIM API Version1.6
Programming Language(s)
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100.00% Python

Tests using this Test Driver

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