| Title
A single sentence description.
|
Cohesive energy versus lattice constant curve for sc Lutetium |
|---|---|
| Description |
This Test computes an energy vs. lattice constant curve for sc Lutetium. The curve is computed for lattice constants ranging from 0.8*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_sc_Lu when paired against the Model being used. |
| Species
The supported atomic species.
| Lu |
| Contributor |
karls |
| Maintainer |
karls |
| Author | |
| Publication Year | 2014 |
| Item Citation | Click here to download a citation in BibTeX format. |
| Short KIM ID
The unique KIM identifier code.
| TE_122090933967_001 |
| 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_sc_Lu__TE_122090933967_001 |
| Citable Link | https://openkim.org/cite/TE_122090933967_001 |
| KIM Item Type | Test |
| Driver | CohesiveEnergyVsLatticeConstant__TD_554653289799_001 |
| 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.
| LAMMPS |
| Previous Version | CohesiveEnergyVsLatticeConstant_sc_Lu__TE_122090933967_000 |
| CohesiveEnergyVsLatticeConstant_sc_Lu__TE_122090933967_001.txz | Tar+XZ | Linux and OS X archive |
| CohesiveEnergyVsLatticeConstant_sc_Lu__TE_122090933967_001.zip | Zip | Windows archive |
This Test requires a Test Driver. Archives for the Test Driver CohesiveEnergyVsLatticeConstant__TD_554653289799_001 appear below.
| CohesiveEnergyVsLatticeConstant__TD_554653289799_001.txz | Tar+XZ | Linux and OS X archive |
| CohesiveEnergyVsLatticeConstant__TD_554653289799_001.zip | Zip | Windows archive |