I get error message 'Numerical result out of range' after 8-9 ours running


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It depends on the Maximum number of steps used to reach the convergence.
The default number is 20.

You can increase this number adding the Driver module in your input:

driver
maxiter XXX
end

where XXX are the maximum number of steps that you want to set. Usually I use 500.

More information here:
http://nwchemgit.github.io/index.php/DRIVER


Ale