exciting is an ab initio code that implements density-functional theory (DFT), capable of reaching the precision of micro Hartree. As its name suggests,
exciting has a strong focus on excited-state properties. Among its features are:
- G0W0 approximation;
- Solution to the Bethe-Salpeter equation (BSE), to compute optical properties;
- Time-dependent DFT (TDDFT) in both frequency and time domains;
- Density-functional perturbation theory for lattice vibrations.
exciting is an open-source code, released under the GPL license.
More information is found on the official website: https://exciting-code.org/
exciting is currently available only on Lise. The standard species files deployed with
exciting are located in
$EXCITING_SPECIES. If you wish to use a different set, please refer to the manual.
The most recent compiled version is neon, and it has been built using with the intel-oneapi compiler (v. 2021.2) and linked to Intel MKL (including FFTW). N.B.:
exciting fluorine is also available.
exciting module depends on