From NWChem
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| 1:21:51 AM PDT - Mon, Oct 14th 2013 |
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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://www.nwchem-sw.org/index.php/DRIVER
Ale
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