Jump to: Models | Files | Wiki

ElasticConstantsHexagonal_hcp_Co__TE_352065913084_003

Title
A single sentence description.
Elastic constants for hcp Co at zero temperature
Description Given the zero-pressure, zero-temperature lattice constants of hcp 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 short statement of applicability which will accompany any results computed using it. A developer can use the disclaimer to inform users of the intended use of this KIM Item.
Computer generated
Contributor jl2922
Maintainer jl2922
Author Junhao Li
Publication Year 2018
Source Citations
A citation to primary published work(s) that describe this KIM Item.

Huntington HB (1958) The Elastic Constants of Crystals. Solid State Physics 7:213–351. doi:10.1016/S0081-1947(08)60553-6

Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_352065913084_003
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.
ElasticConstantsHexagonal_hcp_Co__TE_352065913084_003
Citable Link https://openkim.org/cite/TE_352065913084_003
KIM Item TypeTest
DriverElasticConstantsHexagonal__TD_612503193866_003
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 ElasticConstantsHexagonal_hcp_Co__TE_352065913084_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_PunMishin_2012_Co__MO_885079680379_005 view 3702
EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 view 3482
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 4765
EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 view 4068
EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 view 3555
EAM_Dynamo_ZhouJohnsonWadley_2004_Co__MO_924630542818_005 view 3849
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Co__MO_247800397145_000 view 3885
EAM_IMD__MD_113599595631_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)
EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 view 4105
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 4032
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 50288


Errors

  • No Errors associated with this Test




Download Dependency

This Test requires a Test Driver. Archives for the Test Driver ElasticConstantsHexagonal__TD_612503193866_003 appear below.


ElasticConstantsHexagonal__TD_612503193866_003.txz Tar+XZ Linux and OS X archive
ElasticConstantsHexagonal__TD_612503193866_003.zip Zip Windows archive

Wiki

Wiki is ready to accept new content.

Login to edit Wiki content