| Title
A single sentence description.
|
LatticeConstantCubicEnergy |
|---|---|
| Description |
Calculates lattice constant by minimizing energy function. This version fixes the format problems in the species key and the unit of temperature and increases the number of repeats for PURE and OPBC neighbor lists. |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Junhao Li |
| Maintainer |
Junhao Li |
| Published on KIM | 2016 |
| How to Cite | Click here to download this citation in BibTeX format. |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| TD_475411767977_002 |
| 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.
| LatticeConstantCubicEnergy__TD_475411767977_002 |
| Citable Link | https://openkim.org/cite/TD_475411767977_002 |
| KIM Item Type | Test Driver |
| Properties
Properties as defined in kimspec.edn.
| |
| KIM API Version | 1.6 |
| 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 | LatticeConstantCubicEnergy__TD_475411767977_001 |
| LatticeConstantCubicEnergy__TD_475411767977_002.txz | Tar+XZ | Linux and OS X archive |
| LatticeConstantCubicEnergy__TD_475411767977_002.zip | Zip | Windows archive |