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A single sentence description.
Elastic constants for bcc O at zero temperature
Description Given the zero-pressure, zero-temperature lattice constant of bcc O, this Test computes the corresponding elastic constants using numerical differentiation of the potential energy w.r.t. strain of the unit cell.
The supported atomic species.
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Computer generated
Contributor jl2922
Maintainer jl2922
Author Junhao Li
Publication Year 2018
Item Citation Click here to download this citation in BibTeX format.
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Citable Link https://openkim.org/cite/TE_703936613419_004
KIM Item TypeTest
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KIM API Version2.0
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Programming Language(s)
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100.00% Python
Previous Version ElasticConstantsCubic_bcc_O__TE_703936613419_003


No Driver
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)
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_AlO__SM_853967355976_000 view 10460
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000 view 16075
Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 view 1999
Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000 view 1935
Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 view 1838


  • No Errors associated with this Test

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ElasticConstantsCubic__TD_011862047401_004.txz Tar+XZ Linux and OS X archive
ElasticConstantsCubic__TD_011862047401_004.zip Zip Windows archive


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