[Wien] Band gap (TiC)

[Oleg Rubel]

> Any body can help me to find the band gap of TiC(supercell(2x2x2)) with
> one carbon atom missing. Here is the input file Case.scf.
> ...
> :BAND   :  62    0.667820    0.740223
> ...
> :FER  : F E R M I - ENERGY(TETRAH.M.)=   0.72312

I guess what you have calculated is a metal.

Oleg Rubel