Jump to: Files | Wiki

LatticeInvariantShearPathCubicCrystalCBKIM__TD_083627594945_001

Title
A single sentence description.
Cohesive energy versus shear parameter relation for a cubic crystal
Description This test driver is used to test lattice invariance shear in a cubic crystal based on cb-kim code. Initial guess of lattice parameter, shear direction vector, shear plane normal vector, relaxation optional key need to be set as input. The output will be first PK stress, stiffness matrix, cohesive energy, and displacement of shuffle (if relaxation optional key is true)
Contributor Jiadi
Maintainer Jiadi
Author Jiadi Fan
Publication Year 2016
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TD_083627594945_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.
LatticeInvariantShearPathCubicCrystalCBKIM__TD_083627594945_001
Citable Link https://openkim.org/cite/TD_083627594945_001
KIM Item TypeTest Driver
Properties
Properties as defined in kimspec.edn.
KIM API Version1.6
Simulator Name
The name of the simulator as defined in kimspec.edn.
none
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 LatticeInvariantShearPathCubicCrystalCBKIM__TD_083627594945_000


Wiki

Wiki is ready to accept new content.

Login to edit Wiki content