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CohesiveEnergyVsLatticeConstant_diamond_W__TE_197093630507_002

Title
A single sentence description.
Cohesive energy versus lattice constant curve for diamond Tungsten
Description This Test computes an energy vs. lattice constant curve for diamond 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_diamond_W when paired against the Model being used.
Species
The supported atomic species.
W
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_197093630507_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_diamond_W__TE_197093630507_002
Citable Link https://openkim.org/cite/TE_197093630507_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_diamond_W__TE_197093630507_001


Models

No Driver
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)
Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000 view 548
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_Ackland_2003_W__MO_141627196590_005 view 2896
EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_000 view 2749
EAM_Dynamo_BonnyGrigorev1Terentyev_2017_W__MO_234187151804_000 view 2822
EAM_Dynamo_BonnyTerentyev_2014EAM1_W__MO_292520929154_000 view 2896
EAM_Dynamo_BonnyTerentyev_2014EAM2_W__MO_626183701337_000 view 2896
EAM_Dynamo_HanZepedaAckland_2003_W__MO_286137913440_000 view 2602
EAM_Dynamo_MarinicaVentelonGilbert_2013EAM2_W__MO_204305659515_000 view 16457
EAM_Dynamo_MarinicaVentelonGilbert_2013EAM3_W__MO_706622909913_000 view 16824
EAM_Dynamo_MarinicaVentelonGilbert_2013EAM4__MO_046576227003_000 view 16640
EAM_Dynamo_ZhouJohnsonWadley_2004_W__MO_524392058194_005 view 1869
EAM_Dynamo_ZhouWadleyJohnson_2001_W__MO_621445647666_000 view 2932
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_W__MO_914556822329_000 view 1869
EAM_MagneticCubic__MD_620624592962_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)
EAM_MagneticCubic_DerletNguyenDudarev_2007_W__MO_195478838873_002 view 1246
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 1649
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_W__MO_646516726498_002 view 1393
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_W__MO_489351836217_002 view 1246
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_W__MO_390128289865_002 view 1393


Errors

  • No Errors associated with this Test




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