[Pw_forum] band gap from hybrid pseudopotentials

[saqlain]

Dear QE users

I would like to use QE for calculating band gap with hybrid 
pseusopotentials approach.

after going from the discussions available at different sites, I have 
done the calculation in this way: vc-relax the system, did scf and then 
nscf followed by band structure calculation. My questions are,

1. How can I now extract the band gap from the file generated by bands.x?

2. in the scf and nscf output files, I can't see Fermi energy. How can I 
know about the Fermi energy?

3. The scf and nscf files contain, highest occupied and lowest occupied 
levels? what is meaning of this? does the highest occupied level mean 
Fermi energy?

4. does the difference of highest occupied and lowest occupied level 
correspond to band gap?

your response would be highly appreciated

Msaqlain

Bilknet, Ankara. Turkey