Hi everyone,

          I want to calculate the energy gap between HOMO and LUMO by Dmol3. But I find there are no energy value in outfile of Dmol3 for a periodic model.  However, for a molecule, there are two lines contain the infromation of the  HOMO or LUMO         " Energy of Highest occupied Molecular Orbital  -0.14014 Ha    -3.81eV

                                    Energy of Lowest unoccupied Molecular Orbital  -0.07840Ha    -2.133eV "

              While for a periodic model, only  "Fermi Energy  -0.17164 Ha  -4.671eV   -kTS_e = -0.02183Ha"  could be found in the outfile.  

             Can anyone tell how to find the energy value  of  HOMO and LUMO for a periodic model?   What does -kTS_e stands for ?

Best regards