Jump to: Models | Files | Wiki

CohesiveEnergyVsLatticeConstant_diamond_Zr__TE_742267498137_001

Title
A single sentence description.
Cohesive energy versus lattice constant curve for diamond Zirconium
Description This Test computes an energy vs. lattice constant curve for diamond Zirconium. 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_diamond_Zr when paired
against the Model being used.
Species
The supported atomic species.
Zr
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Daniel S. Karls
Maintainer Daniel S. Karls
Published on KIM 2014
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_742267498137_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_diamond_Zr__TE_742267498137_001
Citable Link https://openkim.org/cite/TE_742267498137_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
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python
Previous Version CohesiveEnergyVsLatticeConstant_diamond_Zr__TE_742267498137_000


EAM_Dynamo__MD_120291908751_004
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)
EAM_Dynamo_Mendelev_Kramer_CuZr__MO_600021860456_004 view 4378
EAM_Dynamo_Mendelev_NiZr__MO_149104665840_004 view 4343
EAM_Dynamo_Mendelev_Sordelet_CuZr__MO_120596890176_004 view 4271
EAM_Dynamo_Zhou_Johnson_Zr__MO_103270551167_004 view 1938
EMT_Asap__MD_128315414717_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)
EMT_Asap_MetalGlass_CuMgZr__MO_655725647552_002 view 25328
LennardJones612__MD_414112407348_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)
LennardJones612_UniversalShifted__MO_959249795837_002 view 1041


No Driver
Model Error Categories Link to Error page
Dipole_Umeno_YSZ__MO_394669891912_001 other view




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
Wiki is ready to accept new content.

Login to edit Wiki content