In this section you will calculate the wavefunction and the energy level diagrams for the linear and cyclic H9 clusters.
Exercise 1: Start DLVisualize, run a CRYSTAL calculation for the linear case: H9_linear.inp
Exercise 2: Run a CRYSTAL properties calculation
of the energy level diagram + the density of states
for the H9 linear cluster,
as explained in Exercise 4
for H4.
Exercise 3: Start DLVisualize, run a CRYSTAL calculation for the cyclic case: H9_cyclic.inp
Exercise 4: Run a CRYSTAL properties calculation
of the energy level diagram + the density of states
for the H9 cyclic cluster,
as explained in Exercise 4
for H4.