20.3.4 Dynamical weighting

Dynamical weighting, as described in J. Chem. Phys. 120, 7281 (2004), can be activated using

DYNW,dynfac

The weights for each state are then computed as

$$w=1/\cosh(dynfac*\Delta E)^2$$ (10)

where $\Delta E$ is the energy difference (in Hartree) between the state under consideration and the ground state. This is dynamically adjusted during the optimization process.