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ElasticConstantsCubic_fcc_Te__TE_179694729708_004

Title
A single sentence description.
Elastic constants for fcc Te at zero temperature
Description Given the zero-pressure, zero-temperature lattice constant of fcc Te, 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.
Te
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_179694729708_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_Te__TE_179694729708_004
Citable Link https://openkim.org/cite/TE_179694729708_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_Te__TE_179694729708_003


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 10781
SW__MD_335816936951_004
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)
SW_WangStroudMarkworth_1989_CdTe__MO_786496821446_000 view 1380
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002 view 1572
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_BOP_WardZhouWong_2012_CdTe__SM_509819366101_000 view 10620
Sim_LAMMPS_BOP_WardZhouWong_2012_CdZnTe__SM_409035133405_000 view 10588
Sim_LAMMPS_BOP_WardZhouWong_2013_CdZnTe__SM_010061267051_000 view 10813
Sim_LAMMPS_BOP_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000 view 11839


  • No Errors associated with this Test




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ElasticConstantsCubic__TD_011862047401_004.zip Zip Windows archive
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