In this section you will calculate the wavefunction of a H4 clusters.
Exercise 1: Start DLVisualize, run a CRYSTAL calculation for the cyclic case: H4_cyclic.inp
Exercise 2:
Run a CRYSTAL properties calculation of the energy level diagram
for the H4 cyclic cluster
using the Band Structure module, as explained in Exercise 2
for H4.
Exercise 3:
Run a CRYSTAL properties calculation of the density of states
for the H4 cyclic cluster, as explained in Exercise 3
for H4.
Exercise 4:
Run a CRYSTAL properties calculation of the
energy level diagram + the density of states
for the H4 cyclic cluster,
as explained in Exercise 4
for H4.