Convergence problem...


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Forum Vet
OK, This is not the full output file, but it's probably enough.
The geometry optimization is now running out of geometry steps (from the default 20).
In other words, your run has computed 20 energy points, but the minimum has not been reached yet.
To fix this, please add the following to your input file.

driver
 maxiter 99
end

task dft optimize
task dft freq