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Yambo 3.2.3

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@sangallidavide 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.