lammps/examples/USER/eff/Auger-Adamantane

In the Auger process, a valence electron falls in to a core hole, which
releases enough energy to eject another valence electron. Thus a state with
two valence holes is created. Using eFF it is possible to track, for the first
time, the continuous evolution of a core-hole state into a two-valence hole state,
with full electron and nuclear dynamics included (Adamantane case).
To simulate the dissociation dynamics of core-ionized adamantane, we proceed
by deleting a core electron from the data.adamantane structure.
An complete Adamantane molecule is also provided.
Finite system.