Jump to: Models | Files | Wiki

StackingFaultFccCrystal_Ca_0bar__TE_812847954572_001

Title
A single sentence description.
Stacking and twinning fault energies for fcc Ca
Description Intrinsic and extrinsic stacking fault energies, unstable stacking fault energy, unstable twinning energy, stacking fault energy as a function of fractional displacement, and gamma surface for fcc Ca at zero temperature and pressure.
Species
The supported atomic species.
Ca
Contributor SubrahmanyamPattamatta
Maintainer SubrahmanyamPattamatta
Author Subrahmanyam Pattamatta
Publication Year 2018
Source Citations
A citation to primary published work(s) that describe this KIM Item.

Bernstein N, Tadmor EB (2004) Tight-binding calculations of stacking energies and twinnability in fcc metals. Physical Review B 69(9):094116. doi:10.1103/PhysRevB.69.094116

Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_812847954572_001
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.
StackingFaultFccCrystal_Ca_0bar__TE_812847954572_001
Citable Link https://openkim.org/cite/TE_812847954572_001
KIM Item TypeTest
DriverStackingFaultFccCrystal__TD_228501831190_001
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.
lammps
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 StackingFaultFccCrystal_Ca_0bar__TE_812847954572_000


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 9754578
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 21555184
Morse_Shifted__MD_552566534109_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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_002 view 35878281
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ca__MO_887105884651_002 view 13921072
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ca__MO_562200212426_002 view 20860737


Errors

  • No Errors associated with this Test




Download Dependency

This Test requires a Test Driver. Archives for the Test Driver StackingFaultFccCrystal__TD_228501831190_001 appear below.


StackingFaultFccCrystal__TD_228501831190_001.txz Tar+XZ Linux and OS X archive
StackingFaultFccCrystal__TD_228501831190_001.zip Zip Windows archive

Wiki

Wiki is ready to accept new content.

Login to edit Wiki content