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VacancyFormationMigration_hcp_Mg__TE_510743441348_000

Title
A single sentence description.
Vacancy formation and migration energy for hcp Mg
Description
Species
The supported atomic species.
Mg
Contributor jl2922
Maintainer karls
Author Junhao Li
Publication Year 2018
Source Citations
A citation to primary published work(s) that describe this KIM Item.

Jónsson H, Mills G, Jacobsen KW (1998) Nudged elastic band method for finding minimum energy paths of transitions. Classical and Quantum Dynamics in Condensed Phase Simulations, pp 385–404. doi:10.1142/9789812839664_0016

Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_510743441348_000
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.
VacancyFormationMigration_hcp_Mg__TE_510743441348_000
Citable Link https://openkim.org/cite/TE_510743441348_000
KIM Item TypeTest
DriverVacancyFormationMigration__TD_554849987965_000
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version1.9.0
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
VacancyFormationMigration hcp Mg TE_510743441348_000


Models

EAM_Dynamo__MD_120291908751_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)
EAM_Dynamo_Mendelev_Asta_AlMg__MO_658278549784_004 view 286394
EAM_Dynamo_Sun_Mendelev_Mg__MO_848345414202_004 view 300104
EAM_Dynamo_Zhou_Johnson_Mg__MO_137404467969_004 view 164838
EMT_Asap__MD_128315414717_002
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)
EMT_Asap_MetalGlass_CuMgZr__MO_655725647552_002 view 197931
IMD_EAM__MD_113599595631_002
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)
IMD_EAM_Schopf_MgZn__MO_710767216198_002 view 602970
LennardJones612__MD_414112407348_002
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)
LennardJones612_UniversalShifted__MO_959249795837_002 view 339510


Errors

MEAM_2NN__MD_111291751625_001
Model Error Categories Link to Error page
MEAM_2NN_Fe_to_Ga__MO_145522277939_001 mismatch view


Download Dependency

This Test requires a Test Driver. Archives for the Test Driver VacancyFormationMigration__TD_554849987965_000 appear below.


VacancyFormationMigration__TD_554849987965_000.txz Tar+XZ Linux and OS X archive
VacancyFormationMigration__TD_554849987965_000.zip Zip Windows archive

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