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CohesiveEnergyVsLatticeConstant_sc_Si__TE_359837946434_001

Title
A single sentence description.
Cohesive energy versus lattice constant curve for sc Silicon
Description This Test computes an energy vs. lattice constant curve for sc Silicon. The
curve is computed for lattice constants ranging from 0.8*a_0 to 1.5*a_0,
where a_0 represents the equilibrium lattice constant. The value for a_0 is obtained by querying
the KIM database for the results of LatticeConstantCubicEnergy_sc_Si when paired
against the Model being used.
Species
The supported atomic species.
Si
Contributor karls
Maintainer karls
Author Daniel Karls
Publication Year 2014
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_359837946434_001
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.
CohesiveEnergyVsLatticeConstant_sc_Si__TE_359837946434_001
Citable Link https://openkim.org/cite/TE_359837946434_001
KIM Item TypeTest
DriverCohesiveEnergyVsLatticeConstant__TD_554653289799_001
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version1.9.0
Simulator Name
The name of the simulator as defined in kimspec.edn. This Simulator Name is inhereted from the Test Driver.
LAMMPS
Previous Version CohesiveEnergyVsLatticeConstant_sc_Si__TE_359837946434_000
CohesiveEnergyVsLatticeConstant sc Si TE_359837946434_001


Models

Tersoff_LAMMPS__MD_077075034781_002
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)
Tersoff_LAMMPS_Erhart_Albe_CSi__MO_903987585848_002 view 1507
Tersoff_LAMMPS_Erhart_Albe_SiII_CSi__MO_408791041969_001 view 1651
Tersoff_LAMMPS_Tersoff_PRB37_1988_Si__MO_245095684871_001 view 1759
Tersoff_LAMMPS_Tersoff_PRB38_1988_Si__MO_186459956893_001 view 2189
Tersoff_LAMMPS_Tersoff_PRB39_1989_CSi__MO_171585019474_001 view 1759
Tersoff_LAMMPS_Tersoff_PRB39_1989_GeSi__MO_350526375143_001 view 1938


Errors

  • No Errors associated with this Test


Download Dependency

This Test requires a Test Driver. Archives for the Test Driver CohesiveEnergyVsLatticeConstant__TD_554653289799_001 appear below.


CohesiveEnergyVsLatticeConstant__TD_554653289799_001.txz Tar+XZ Linux and OS X archive
CohesiveEnergyVsLatticeConstant__TD_554653289799_001.zip Zip Windows archive

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