The YAMBO developers team is proud to present the new release: Yambo v5.1.
This release includes many new capabilities that were made possible by the support of the MaX project. With version 5.1 the testing and the stabilisation were finalized, the code structure and modularization were further refined and the performance and memory footprint was largely improved. Besides the technical aspects, Yambo 5.1 also includes a number of new features.
In this new release, Yambo is now linked with updated external libraries as libxc, petsc and slepc and the I/O procedures were further modularized and optimized. Some parts of the code, for instance, the evaluation of dipole moments were completely restructured drastically reducing both the CPU time and the memory requirements gaining a factor of 6.5 with respect to the previous release.
Many new features were added, among them we mention a new algorithm able to accelerate the GW convergences with respect to the k points sampling for 2D systems showing a speedup of at least one order of magnitude, the possibility to perform TDDFT calculations using hybrid functionals, the double grid support for the Haydock solver of the Bethe-Salpeter equation and the possibility to define two independent chemical potentials to model the non-equilibrium excitonic insulator. Concerning the real-time module of the code, it has been added the possibility to perform simulations with two external fields (yambo_nl) to model transient absorption experiments, the possibility to calculate ARPES spectral functions from density matrix, and to calculate field envelop and extract Rabi coupling.
A complete list of the new features and improvements of the present release can be found on the GitHub page.