Band crossing in MD

[tfrankcombe]

Hi all

I understand that the message "Information: wavefunction orthogonal band" during a MD run is related to wave function extrapolation and can be addressed with IWAVPR, as has been discussed previously here.

However, what was not addressed was whether this actually produces incorrect results. If my SCF converges quickly even though there are lots of these messages, is there any good reason to change the extrapolation?