The traped state of palaron in the band gap

[Taifeng Liu]

Hi All,
In the polaron calculation using EPW, it will produce the polaron eigenvalues. For the hole polaron calculations, this value was measured from the valence band top. I want to know the position of this value in the band gap. But there are calculated band gap and experimental band gap,which one shoud be used. In my optinion, I think the experimental band gap should be used. As in the solving of polaron equation, the self-interaction correction (SIC) is removed, this eigenvalue is reliable to the experiment. However, the calcualted band gap using PBE functional are much smaller. Do I understand this right? any explaining? Thank you.
Best wishes!
Taifeng Liu