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LatticeInvariantShearPathCubicCrystalCBKIM_bcc_Cu__TE_946706801883_000

Title
A single sentence description.
Cohesive energy versus <-1 1 0>{1 1 1} shear parameter relation for bcc Cu
Description This test is used to test lattice invariance shear of bcc Cu based on cb-kim code. Initial guess of lattice parameter is 2, shear direction vector is along [-1 1 0], shear plane normal vector is along [1 1 1], shear period is 1, relaxation optional key is non-relax. The output in 'result.edn' will be strain energy density. More output items, such as Kirchhoff stress, relaxed lattice vectors/parameter can be found in 'cbkim.out'.
Species
The supported atomic species.
Cu
Contributor Jiadi
Maintainer Jiadi
Author Jiadi Fan
Publication Year 2016
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_946706801883_000
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.
LatticeInvariantShearPathCubicCrystalCBKIM_bcc_Cu__TE_946706801883_000
Citable Link https://openkim.org/cite/TE_946706801883_000
KIM Item TypeTest
DriverLatticeInvariantShearPathCubicCrystalCBKIM__TD_083627594945_001
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version1.6
Simulator Name
The name of the simulator as defined in kimspec.edn. This Simulator Name is inhereted from the Test Driver.
none
LatticeInvariantShearPathCubicCrystalCBKIM bcc Cu TE_946706801883_000


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Measured in Millions of Whetstone Instructions (MWI)
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Measured in Millions of Whetstone Instructions (MWI)
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Measured in Millions of Whetstone Instructions (MWI)
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Model Test Results Link to Test Results page Benchmark time
Usertime muliplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
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