Jump to: Models | Files | Wiki

ElasticConstantsCubic_sc_U__TE_973748503699_004

Title
A single sentence description.
Elastic constants for sc U at zero temperature
Description Given the zero-pressure, zero-temperature lattice constant of sc U, 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.
U
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_973748503699_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_sc_U__TE_973748503699_004
Citable Link https://openkim.org/cite/TE_973748503699_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_sc_U__TE_973748503699_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_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005 view 1508
EAM_Dynamo_SmirnovaStarikov_U__MO_649864794085_000 view 1476
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 2727
No Driver
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)
Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000 view 3850
Sim_LAMMPS_ADP_TseplyaevStarikova_2016_UN__SM_474015477315_000 view 3914
Sim_LAMMPS_MEAM_FernandezPascuet_2014_U__SM_176800861722_000 view 5390
Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000 view 4139


  • 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