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Re^2: Geometry Optimization does not converged after many iterations

benjoe rey
benz_601@yahoo.com


Hi Amir.

Have you tried increasing the maximum number of iterations? I don't know but sometimes, depending on the quality of your input structure, optimizations needs more steps than the default values.

Regards,
Benjoe

On Fri Oct 8 '10 4:12pm, Amir Nasser Shamkhali wrote
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>Also I attach the LIB file for basis set.


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