Jump to: Models | Files | Wiki

ElasticConstantsCubic_sc_Ne__TE_649578776881_005

Title
A single sentence description.
Elastic constants for sc Ne at zero temperature v005
Description Given the zero-pressure, zero-temperature lattice constant of sc Ne, 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.
Ne
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Computer-generated
Contributor Ellad B. Tadmor
Maintainer Ellad B. Tadmor
Published on KIM 2019
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_649578776881_005
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_Ne__TE_649578776881_005
Citable Link https://openkim.org/cite/TE_649578776881_005
KIM Item TypeTest
DriverElasticConstantsCubic__TD_011862047401_005
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_Ne__TE_649578776881_004


LJ_Shifted__MD_498634107543_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_Shifted_Bernardes_1958HighCutoff_Ne__MO_966254629593_003 view 4043
LJ_Shifted_Bernardes_1958LowCutoff_Ne__MO_466741694288_003 view 2021
LJ_Shifted_Bernardes_1958MedCutoff_Ne__MO_160637895352_003 view 2823
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 132607
Morse_Shifted__MD_552566534109_002
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)
Morse_Shifted_Glyde_1970_Ne__MO_169434419764_002 view 2342
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)
Exp6_KongChakrabarty_1973_ArNe__MO_946046425752_002 view 1444


  • No Errors associated with this Test




This Test requires a Test Driver. Archives for the Test Driver ElasticConstantsCubic__TD_011862047401_005 appear below.


ElasticConstantsCubic__TD_011862047401_005.txz Tar+XZ Linux and OS X archive
ElasticConstantsCubic__TD_011862047401_005.zip Zip Windows archive
Wiki is ready to accept new content.

Login to edit Wiki content