METADISE

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METADISE performs simulations of crystal systems with broken symmetry due to extended defects. This includes the treatment of surfaces, interfaces, point defects, nanoparticles and dislocations. If you are new to the program we recommend the GETTING STARTED section below. METADISE stands for Minimum Energy Technique Applied to Dislocations, Interfaces and Surfaces Energies. The code has its own Minimum Energy optimiser based upon interatomic potentials or is well integrated to use minimum energies calculated by external programs e.g. using Density Functional Theory codes. This wiki conceived and developed by David A. Tompsett.


GETTING STARTED Lessons to help you start using METADISE.
HOW TO's Tutorials targeted towards running particular types of simulation in METADISE.
INPUT-keywords Information on assorted input parameters/files.
OUTPUT-files Information describing the output files.
THEORY Brief information and references on the theoretical techniques underlying the program.

Example systems treated by METADISE:

A slab of Alpha Quartz
A grain boundary in Wurzite.