Release of exciting Fluorine
We are happy to present exciting fluorine, the newest main release of the exciting code.
- Name: exciting fluorine (download exciting.fluorine.tar.gz)
- Operating system(s): Linux/Unix
- Release date: 25 Mar 2023
- exciting fluorine release notes:
- Linear response for phonons, consisting of a new implementation of density-functional perturbation theory (DFPT) for phonons, which exploits symmetries by use of irreducible representations (irreps) and is highly parallelized (over q-points, irreps and k-points). The output is compatible with previous exciting phonon calculations.
- exciting fluorine contains an interface to SIRIUS, a domain specific library for electronic structure calculations. This library provides a massively parallel implementation of the most time-consuming steps in ground-state DFT and offers a GPU support. Further information about SIRIUS is available here.
- Implementation of a new efficient screening for applications to large interface systems
- Tutorials scripts are now located in the subdirectory tools/tutorial_scripts
- Tutorials for fluorine
- In order to compile exciting fluorine , read Download and compile exciting
All previous releases of exciting can be found here.
March 2023
(The exciting team)