[CP2K-user] CONVERGENCE FAILURE

[ALEKOS SEGALINA]

Dear CP2K users, 

I am working with a charged molecule (perylene) with the CAM-B3LYP 
functional and unfortunately the SCF calculation does not converge. I am 
using libxc for the functional and I am working without pbc. I attach my 
inputs below. Can you tell me which parameters I should change to 
facilitate convergence? 

P.S. I am using cp2k 5.1

Thanking you in advance

Alekos
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