| 2:05:21 PM PDT - Mon, Jul 29th 2013 |
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Grad,
Your calculations failed since you have a geometry (mya be the last geometry in a geometry optimization) that
has three collinear atoms. To avoid this, please add the "noautoz" keyword in you geometry section as described in
http://nwchemgit.github.io/index.php/Release62:Geometry
However, I have tried the input file you posted with NWChem 6.3 and I was not able to reproduce your problem.
In other words, the geometry optimization successfully runs to completion for me.
Edo
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