| 7:56:22 AM PDT - Thu, Mar 14th 2013 |
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In COSMO I'm getting errors in the frequency calculation of the transition state for MP2 6-311G* and for ethyl bromide with iodide for HF 3-21 G. The error says
"hess_anal: energy failure 555"
"Last System Error Message from Task 0:: Inappropriate ioctl for device
0:0:hess_anal: energy failure:: 555"
I'm not sure what either of these error messages mean in regards to how to edit the input file so that they stop occuring. I have tried altering the driver by increasing the maxiter and telling it to use tight convergence criteria. I did this because the output file said the error is most commonly associated with not reaching convergence criteria. However, I am not sure how to prevent the energy calculations from failing again.
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