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PhononDispersionCurve_fcc_Au__TE_171727129373_003

Title
A single sentence description.
Phonon dispersion relations for fcc Au
Description Given a value of the zero-temperature, zero-pressure lattice constant for fcc Au as input, the corresponding phonon dispersion curves are calculated and plotted.
Species
The supported atomic species.
Au
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 mattbierbaum
Maintainer mattbierbaum
Author Matt Bierbaum
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_171727129373_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.
PhononDispersionCurve_fcc_Au__TE_171727129373_003
Citable Link https://openkim.org/cite/TE_171727129373_003
KIM Item TypeTest
DriverPhononDispersionCurve__TD_530195868545_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 PhononDispersionCurve_fcc_Au__TE_171727129373_002
PhononDispersionCurve fcc Au TE_171727129373_003


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_Ackland_1987_Au__MO_754413982908_000 view 134517
EAM_Dynamo_AcklandTichyVitek_1987_Au__MO_104891429740_005 view 137229
EAM_Dynamo_AdamsFoilesWolfer_1989_Au__MO_087738844640_000 view 134150
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Au__MO_559016907324_000 view 133673
EAM_Dynamo_GrocholaRusso_2005_Au__MO_557267801129_000 view 133673
EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_000 view 135103
EAM_Dynamo_Olsson_2010_Au__MO_228280943430_000 view 135836
EAM_Dynamo_Pun_2017_Au__MO_188701096956_000 view 135433
EAM_Dynamo_Zhakhovsky_2009_Au__MO_173248269481_000 view 135360
EAM_Dynamo_ZhouJohnsonWadley_2004_Au__MO_468407568810_005 view 133124
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 135140
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Au__MO_684444719999_000 view 135873
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 140931
Morse_EIP__MD_429561112321_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_EIP_GuthikondaElliott_2011_AuCd__MO_703849496106_002 view 144230


Errors

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PhononDispersionCurve__TD_530195868545_003.zip Zip Windows archive

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