A single sentence description.
|Elastic constants for fcc Md at zero temperature|
|Description||Given the zero-pressure, zero-temperature lattice constant of fcc Md, this Test computes the corresponding elastic constants using numerical differentiation of the potential energy w.r.t. strain of the unit cell.|
The supported atomic species.
A short statement of applicability which will accompany any results computed using it. A developer can use the disclaimer to inform users of the intended use of this KIM Item.
A citation to primary published work(s) that describe this KIM Item.
Huntington HB (1958) The Elastic Constants of Crystals. Solid State Physics 7:213–351. doi:10.1016/S0081-1947(08)60553-6
|Item Citation||Click here to download a citation in BibTeX format.|
|Short KIM ID
The unique KIM identifier code.
|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.
|KIM Item Type||Test|
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
|KIM API Version||2.0|
The name of the simulator as defined in kimspec.edn. This Simulator Name is inhereted from the Test Driver.
The programming languages used in the code and the percentage of the code written in each one.
|Model||Test Results||Link to Test Results page||Benchmark time
Usertime muliplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.
Measured in Millions of Whetstone Instructions (MWI)
|ElasticConstantsCubic_fcc_Md__TE_277441026582_004.txz||Tar+XZ||Linux and OS X archive|