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PhononDispersionCurve_fcc_Pb__TE_513813874345_004

Title
A single sentence description.
Phonon dispersion relations for fcc Pb v004
Description Given a value of the zero-temperature, zero-pressure lattice constant for fcc Pb as input, the corresponding phonon dispersion curves are calculated and plotted.
Species
The supported atomic species.
Pb
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 Pb 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_513813874345_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_Pb__TE_513813874345_004
Citable Link https://openkim.org/cite/TE_513813874345_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_Pb__TE_513813874345_003


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Measured in Millions of Whetstone Instructions (MWI)
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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)
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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)
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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_Pb__MO_370271093517_004 view 94750
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Pb__MO_534638645497_004 view 100536
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_004 view 63994


Errors

MEAM_2NN__MD_111291751625_001
Model Error Categories Link to Error page
MEAM_2NN_Fe_to_Ga__MO_145522277939_001 mismatch view




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