News
May 31, 2023
Geometry optimizations under stress: Graphite to Diamond phase transition (video tip of the week)
In this video tip of the week Ole shows how to simulate the phase transition from graphite to diamond by optimizing the geometry under a non-uniform external stress tensor. The guI input file for the calculation is available here. A command line version (run file) that combines the initial geometry optimization and final relaxation in one file is available here.
