This tutorial will guide you through the use of the ASE interface to ONETEP. The Atomic Simulation Environment (ASE) is a set of tools and Python modules for setting up, manipulating, running, ...

In the development of advanced materials such as semiconductors, secondary batteries, catalysts, and organic devices, "first-principles calculations" based on Density Functional Theory (DFT) are the ...

You can create a release to package software, along with release notes and links to binary files, for other people to use. Learn more about releases in our docs.