CPASSERT failed, motion/vibrational_analysis.F:677

[Matt W]

>
> The vibrational analysis calculations runs when the molecule is aligned on 
> the z-axis,  it also runs if I use a not converged co2 molecule close in 
> energy to the optimized one. I also found for bent co2 it runs. 
>

OK, so probably it is just a corner case for very near linear systems.
 

> It is interesting that this error comes results with a structure that is 
> optimized. Do you think tightening the convergence criteria would help?
>

Maybe, but probably best just to treat isolated CO2 as an exception and not 
worry to much about this.
 

> Thank you.
>
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