| Title
A single sentence description.
|
Monovacancy formation energy and relaxation volume for sc Po |
|---|---|
| Description | |
| Species
The supported atomic species.
| Po |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Junhao Li |
| Maintainer |
Daniel S. Karls |
| 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_075933809405_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.
| VacancyFormationEnergyRelaxationVolume_sc_Po__TE_075933809405_000 |
| Citable Link | https://openkim.org/cite/TE_075933809405_000 |
| KIM Item Type | Test |
| Driver | VacancyFormationEnergyRelaxationVolume__TD_647413317626_000 |
| Properties
Properties as defined in kimspec.edn.
These properties are inhereted from the Test Driver.
|
|
| KIM API Version | 1.9.0 |
| 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 |
| Model | Error Categories | Link to Error page |
|---|---|---|
| LennardJones612_UniversalShifted__MO_959249795837_002 | other | view |
| VacancyFormationEnergyRelaxationVolume_sc_Po__TE_075933809405_000.txz | Tar+XZ | Linux and OS X archive |
| VacancyFormationEnergyRelaxationVolume_sc_Po__TE_075933809405_000.zip | Zip | Windows archive |
This Test requires a Test Driver. Archives for the Test Driver VacancyFormationEnergyRelaxationVolume__TD_647413317626_000 appear below.
| VacancyFormationEnergyRelaxationVolume__TD_647413317626_000.txz | Tar+XZ | Linux and OS X archive |
| VacancyFormationEnergyRelaxationVolume__TD_647413317626_000.zip | Zip | Windows archive |