DFT+U and CP2K
From Deskins Group Resources
The DFT+U method is tricky with CP2K and convergence issues are not uncommon. Some tips also at Convergence-CP2K may help.
Here's some other ideas.
Change Basis Set
Some basis sets are easier for convergence using the DFT+U method. My experience is that smaller basis sets converge easier. The disadvantage of smaller basis sets is less accuracy.
Use DFT+U Ramping
This is a neat method that incrementally increases the U value to the target U value.
&DFT_PLUS_U L 2 U_MINUS_J 0.220496 # U = 6 eV U_RAMPING 0.0220496 #INIT_U_RAMPING_EACH_SCF .TRUE. #EPS_U_RAMPING 1.E-6 &END
Use Large U Value
Sometimes it is easier to use a very large U value to generate a wavefunction with desired properties (e.g. localized electrons), and then use this wavefunction to start another calculation with lower U value.