Hello everybodey,

I optimized a mxene unit cell in Dmol3 and then calculated the band structure a

nd dos.  In the output shows the band structure and dos graph, but it does not show the number of the band gap. Even in the outmol, it only reported the Fermi energy but not the energy gap, valence band and conduction band.

What is the cause and how can I solve the problem?