What is the default number of iterations for DFT job?
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Forum Vet
11:39:54 AM PST - Tue, Feb 5th 2013
maxiter
This the URL for the section of the documentation explaining how to change to number of geometry optimization steps
http://nwchemgit.github.io/index.php/Release61:Geometry_Optimization#MAXITER_--_Maximum_numb...