We are happy to present exciting helium, the second major release of the exciting code. It contains a series of new functionalities, extensions, and bug fixes, as well as a comprehensive collection of tutorials.
- Core excitations
- X-ray spectra from solving the Bethe-Salpeter equation
- Incorporation of libxc
- A variety of exchange-correlation functionals is available by linking the libxc library with exciting.
- Van der Waals interaction
- Implementation of van der Waals density functionals in a post-scf manner.
- A fully automatized interface between exciting and the Alloy Theoretic Automated Toolkit (ATAT). ATAT is a cluster-expansion code which allows the calculation of thermodynamic properties of alloys on the basis of DFT calculations.
- A tool for obtaining the full elastic tensors for any crystal structure from exciting total-energy calculations.
A wide range of documented examples is now available.