| Title
A single sentence description.
|
Cohesive energy versus lattice constant curve for bcc Md v004 |
|---|---|
| Description | This Test computes an energy vs. lattice constant curve for bcc Md. The curve is computed for lattice constants ranging from 0.5*a_0 to 1.5*a_0, where a_0 represents the equilibrium lattice constant. The value for a_0 is obtained by querying the KIM database for the results of LatticeConstantCubicEnergy_bcc_Md when paired against the Model being used. |
| Species
The supported atomic species.
| Md |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Daniel S. Karls |
| Maintainer |
Daniel S. Karls |
| Developer | Daniel S. Karls |
| Published on KIM | 2022 |
| How to Cite |
This Test is archived in OpenKIM [1-4]. [1] Karls DS. Cohesive energy versus lattice constant curve for bcc Md v004 [Internet]. OpenKIM; 2022. Available from: https://openkim.org/cite/TE_638508409588_004 [2] Karls DS. Cohesive energy versus lattice constant curve for monoatomic cubic lattices v003. OpenKIM; 2019. doi:10.25950/64cb38c5 [3] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6 [4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| TE_638508409588_004 |
| 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.
| CohesiveEnergyVsLatticeConstant_bcc_Md__TE_638508409588_004 |
| Citable Link | https://openkim.org/cite/TE_638508409588_004 |
| KIM Item Type | Test |
| Driver | CohesiveEnergyVsLatticeConstant__TD_554653289799_003 |
| Properties
Properties as defined in kimspec.edn.
These properties are inhereted from the Test Driver.
| |
| KIM API Version | 2.2 |
| 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 | CohesiveEnergyVsLatticeConstant_bcc_Md__TE_638508409588_003 |
This Test requires a Test Driver. Click below for the Test Driver CohesiveEnergyVsLatticeConstant__TD_554653289799_003 archive.