[CP2K-user] Large number of SCFs after optimization step

[Lucas Bandeira]

Dear cp2k group,

I am performing some calculations to find the lattice parameter of Cu. I
have noted that there is a moment at which the cell optimization stops and
a large number of SCF calculations start. The cell optimization stops, but
it has not converged. Find attached the input I used in this calculation
and the output printed. Exactly, what is happening is that only six cell
optimizations are performed (with no convergence). After the last one, a
large number of SCFs start. Can somebody help me to solve this problem?

Yours sincerely,

Lucas Bandeira
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