| Title
A single sentence description.
|
Elastic constants for hcp I at zero temperature |
|---|---|
| Description | Given the zero-pressure, zero-temperature lattice constants of hcp I, 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.
| I |
| 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_686502989415_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_I__TE_686502989415_003 |
| Citable Link | https://openkim.org/cite/TE_686502989415_003 |
| KIM Item Type | Test |
| Driver | ElasticConstantsHexagonal__TD_612503193866_003 |
| Properties
Properties as defined in kimspec.edn.
These properties are inhereted from the Test Driver.
| |
| KIM API Version | 2.0 |
| 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_I__TE_686502989415_002 |
| ElasticConstantsHexagonal_hcp_I__TE_686502989415_003.txz | Tar+XZ | Linux and OS X archive |
| ElasticConstantsHexagonal_hcp_I__TE_686502989415_003.zip | Zip | Windows archive |
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 |