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CohesiveEnergyVsLatticeConstant_bcc_W__TE_726637192481_001

Title
A single sentence description.
Cohesive energy versus lattice constant curve for bcc Tungsten
Description This Test computes an energy vs. lattice constant curve for bcc Tungsten. 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_bcc_W when paired
against the Model being used.
Species
The supported atomic species.
W
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor karls
Maintainer karls
Author Daniel Karls
Publication Year 2014
Item Citation Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_726637192481_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_bcc_W__TE_726637192481_001
Citable Link https://openkim.org/cite/TE_726637192481_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_bcc_W__TE_726637192481_000


Models

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_Ackland_W__MO_141627196590_004 view 2010
EAM_Dynamo_Zhou_Johnson_W__MO_524392058194_004 view 1938
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 1077
Pair_Morse_Shifted__MD_552566534109_001
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)
Pair_Morse_Shifted_GirifalcoWeizer_HighCutoff_W__MO_646516726498_001 view 25022
Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_W__MO_489351836217_001 view 24092
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_W__MO_390128289865_001 view 24614
model_driver_PF_cubic_splines__MD_620624592962_001
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)
model_W_PF_cubicsplines__MO_195478838873_001 view 25158


Errors

  • No Errors associated with this Test




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CohesiveEnergyVsLatticeConstant__TD_554653289799_001.zip Zip Windows archive

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