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PhononDispersionCurve_fcc_Ca__TE_941495178906_004

Title
A single sentence description.
Phonon dispersion relations for fcc Ca v004
Description Given a value of the zero-temperature, zero-pressure lattice constant for fcc Ca as input, the corresponding phonon dispersion curves are calculated and plotted.
Species
The supported atomic species.
Ca
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Computer-generated
Contributor Matt Bierbaum
Maintainer Matt Bierbaum
Publication Year 2019
How to Cite

This Test is archived in OpenKIM [1-4].

[1] Phonon dispersion relations for fcc Ca v004. OpenKIM; 2019.

[2] Phonon dispersion relations for an fcc lattice v004. OpenKIM; 2019. doi:10.25950/64f4999b

[3] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_941495178906_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.
PhononDispersionCurve_fcc_Ca__TE_941495178906_004
Citable Link https://openkim.org/cite/TE_941495178906_004
KIM Item TypeTest
DriverPhononDispersionCurve__TD_530195868545_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 PhononDispersionCurve_fcc_Ca__TE_941495178906_003


Models

EAM_IMD__MD_113599595631_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)
EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_003 view 53837
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 48975
MEAM_LAMMPS__MD_249792265679_000
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)
MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_000 view 67032
MEAM_LAMMPS_KimJeonLee_2015_MgCa__MO_611309973581_000 view 65389
Morse_Shifted__MD_552566534109_004
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_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_004 view 93599
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ca__MO_887105884651_004 view 94814
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ca__MO_562200212426_004 view 98043


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