Low barriers from CI-NEB calculations

Natalie Austin natalie... at gmail.com
Mon Jul 18 15:53:22 UTC 2016

Also I don't know if this would clarify anything but I had to resubmit the 
NEB calculation a couple of times due to walltime restrictions. I would 
take the coordinates of the last step that completed and use them as xyz 
inputs to the new NEB calculation. 

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