[CP2K-user] Orbital transformations for system with shallow defect states

[Nicholas Winner]

Hello all,

I am running some defect calculations for vacancies using CP2K, and some of 
my calculations induce states very close to the band edge. 

I believe this is causing the OT method to be very slow in its convergence, 
since OT requires (to my knowledge) a clear delineation between 
occupied/unoccupied states. I would like to continue using OT because of 
its good scaling behavior, so I'm wondering if there are any tricks to help 
converge systems with shallow states, or if I simply need to let the SCF 
proceed for a very long time.

Any suggestions would be appreciated, thanks.

-Nick
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