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CohesiveEnergyVsLatticeConstant_bcc_Rb__TE_200359191153_002

Title
A single sentence description.
Cohesive energy versus lattice constant curve for bcc Rubidium
Description This Test computes an energy vs. lattice constant curve for bcc Rubidium. 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_Rb when paired against the Model being used.
Species
The supported atomic species.
Rb
Contributor karls
Maintainer karls
Author Daniel S. Karls
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_200359191153_002
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_Rb__TE_200359191153_002
Citable Link https://openkim.org/cite/TE_200359191153_002
KIM Item TypeTest
DriverCohesiveEnergyVsLatticeConstant__TD_554653289799_002
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.0
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_bcc_Rb__TE_200359191153_001
CohesiveEnergyVsLatticeConstant bcc Rb TE_200359191153_002


Models

EAM_Dynamo__MD_120291908751_005
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_NicholAckland_2016v2_Rb__MO_874930365376_000 view 2639
LJ__MD_414112407348_003
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)
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 view 2016
Morse_Shifted__MD_552566534109_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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Rb__MO_908110223949_002 view 1503
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Rb__MO_754498969542_002 view 1686
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Rb__MO_147245690895_002 view 1356


Errors

  • No Errors associated with this Test


Download Dependency

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CohesiveEnergyVsLatticeConstant__TD_554653289799_002.txz Tar+XZ Linux and OS X archive
CohesiveEnergyVsLatticeConstant__TD_554653289799_002.zip Zip Windows archive

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