Yambo 3.2.3
sangallidavide
released this
17 Feb 00:26
·
13869 commits
to master
since this release
Additions: - *** BSE/TDDFT beyond the TDA *** It is now possible to calculate TDDFT and BSE response functions beyond the Tamm-Dancoff approximation. The antiresonant and coupling blocks of the Hamiltonians can be computed. The final Dyson equation is, then. solved using diagonalization or the quasi-Hermitian Haydock algorithm proposed in Nano Letters, 9, 2820 (2009) - *** LIBXC support *** This means that Yambo can ALWAYS read GS (abinit) databases generated using libxc. If, in addition, yambo is linked against LIBXC (see --with-libxc-include/--with-libxc-lib options of configure) this is used to evalute DFT xc terms. - *** REAL AXIS GW *** It is now possible to calculate the GW self-energy on the real-axis. This means no plasmon-pole approx and the possibility of calculating electronic lifetimes. In addition the secant (recursive) solver of the Dyson equation has been added. - *** CUBE format *** Added support plot 3D isosurfaces in Gaussian cube format.