CDFT non-convergence of the outer SCF

[Marta]

Dear CP2K users and developers,

I am trying to run a charge constrained MD, setting up the constraint on 
the difference of charge between two groups of atoms. 

What I am observing,independently from the parameter STRENGHT, is that, 
while the inner SCF converges, the outer does not.
 
The non-convergence of the outer SCF occurs even for the calculation of the 
ET_COUPLING element.

I attach here the two input files (one for the MD, the other for the 
COUPLING).
Is there something wrong?

Thank you very much for your help.


Kind regards,
Marta 



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