| 8:52:38 PM PDT - Fri, May 3rd 2013 |
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Hello, everyone:
In the documentation of NWChem, there is such a description:
The progress of NEB calculation can be monitored by
grep gnorm <output file>
Experience shows that the value of gnorm less or around O(10^-2) indicates converged pathway.
I want to know what does the gnorm mean, or, which physical quantity does it control. And how to set parameters in the input file to make sure the the value of gnorm is definitely less or around O(10^-2).
:) Thanks a lot.
CuiWang
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