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PhononDispersionCurve_fcc_Kr__TE_625166401196_004

Title
A single sentence description.
Phonon dispersion relations for fcc Kr v004
Description Given a value of the zero-temperature, zero-pressure lattice constant for fcc Kr as input, the corresponding phonon dispersion curves are calculated and plotted.
Species
The supported atomic species.
Kr
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
Published on KIM 2019
How to Cite

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

[1] Bierbaum M. Phonon dispersion relations for fcc Kr v004 [Internet]. OpenKIM; 2019. Available from: https://openkim.org/cite/TE_625166401196_004

[2] Bierbaum M. 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_625166401196_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_Kr__TE_625166401196_004
Citable Link https://openkim.org/cite/TE_625166401196_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_Kr__TE_625166401196_003


LJ_Shifted__MD_498634107543_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)
LJ_Shifted_Bernardes_1958LowCutoff_Kr__MO_995724792024_004 view 106098
LJ_Shifted_Bernardes_1958MedCutoff_Kr__MO_984281096460_004 view 108336
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 52014


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