Jump to: Models | Files | Wiki

ElasticConstantsCubic_fcc_Co__TE_927061832654_004

Title
A single sentence description.
Elastic constants for fcc Co at zero temperature
Description Given the zero-pressure, zero-temperature lattice constant of fcc Co, this Test computes the corresponding elastic constants using numerical differentiation of the potential energy w.r.t. strain of the unit cell.
Species
The supported atomic species.
Co
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Computer generated
Contributor Junhao Li
Maintainer Junhao Li
Published on KIM 2018
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_927061832654_004
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.
ElasticConstantsCubic_fcc_Co__TE_927061832654_004
Citable Link https://openkim.org/cite/TE_927061832654_004
KIM Item TypeTest
DriverElasticConstantsCubic__TD_011862047401_004
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.
ase
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 ElasticConstantsCubic_fcc_Co__TE_927061832654_003


EAM_Dynamo__MD_120291908751_005
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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_PunMishin_2012_Co__MO_885079680379_005 view 2535
EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 view 2053
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 1925
EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 view 2214
EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 view 2342
EAM_Dynamo_ZhouJohnsonWadley_2004_Co__MO_924630542818_005 view 2374
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Co__MO_247800397145_000 view 1925
EAM_IMD__MD_113599595631_003
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 view 4749
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 2150
LJ__MD_414112407348_003
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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 12449


  • No Errors associated with this Test




This Test requires a Test Driver. Archives for the Test Driver ElasticConstantsCubic__TD_011862047401_004 appear below.


ElasticConstantsCubic__TD_011862047401_004.txz Tar+XZ Linux and OS X archive
ElasticConstantsCubic__TD_011862047401_004.zip Zip Windows archive
Wiki is ready to accept new content.

Login to edit Wiki content