Hi,
I have a periodic system and I want to calculate homo/lumo orbitals using dmol3 at gamma point. After calculation, just homo orbitals are shown, could you please help me? why lumo orbitals have not been calculated?
Hi,
I have a periodic system and I want to calculate homo/lumo orbitals using dmol3 at gamma point. After calculation, just homo orbitals are shown, could you please help me? why lumo orbitals have not been calculated?