Introduction
The dislocation_periodic_array calculation constructs an atomic system with a periodic array of dislocations configuration. A single dislocation is inserted into an otherwise perfect crystal, and the system is kept periodic in the two system box directions that are within the dislocation’s slip plane. The system is then statically relaxed with the atoms at the boundary perpendicular to the slip plane held fixed.
Version notes
2019-07-30: Notebook added.
2020-05-22: Notebook updated for iprPy version 0.10 and tested for hcp
2020-09-22: Notebook updated to reflect that calculation method has changed to now use atomman.defect.Dislocation. Setup and parameter definition cleaned up and streamlined.