Jump to: Models | Files | Wiki

ElasticConstantsHexagonal_hcp_Ir__TE_188708145969_003

Title
A single sentence description.
Elastic constants for hcp Ir at zero temperature
Description Given the zero-pressure, zero-temperature lattice constants of hcp Ir, this Test computes the corresponding elastic constants using numerical differentiation of the potential energy w.r.t. strain of the unit cell.
Species
The supported atomic species.
Ir
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Computer generated
Contributor Junhao Li
Maintainer Junhao Li
Published on KIM 2018
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_188708145969_003
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.
ElasticConstantsHexagonal_hcp_Ir__TE_188708145969_003
Citable Link https://openkim.org/cite/TE_188708145969_003
KIM Item TypeTest
DriverElasticConstantsHexagonal__TD_612503193866_003
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 ElasticConstantsHexagonal_hcp_Ir__TE_188708145969_002


  • No Models associated with this Test
  • Models are paired to Tests through Test Results



  • No Errors associated with this Test




This Test requires a Test Driver. Archives for the Test Driver ElasticConstantsHexagonal__TD_612503193866_003 appear below.


ElasticConstantsHexagonal__TD_612503193866_003.txz Tar+XZ Linux and OS X archive
ElasticConstantsHexagonal__TD_612503193866_003.zip Zip Windows archive
Wiki is ready to accept new content.

Login to edit Wiki content