nwchem 6.3 NEB calculation with midpoint

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Gets Around
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7:50:52 AM PDT - Wed, Jun 19th 2013
By the way.
In http://www.nwchem-sw.org/index.php/Release62:Nudged_Elastic_Band_%28NEB%29_and_Zero_Temper...
second formula [[1]] for Linear interpolation between three geometries is wrong.

When i = nbeads, R[i] <> last geometry.
Edited On 7:56:37 AM PDT - Wed, Jun 19th 2013 by Vladimir


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