aoforce with cosmo solvatation model?

Started by inozerox, November 23, 2014, 05:31:48 AM

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inozerox

Hi everyone!!

I am trying to use the aoforce module for calculate the vibrational spectrum of the differents molecules. For the molecules in Gas phase the module runs smoothly, However when running the module with COSMO solvatation models the aoforce module can't run.

Does anyone know how to make vibrational spectra using the COSMO solvation models?

Thanks in advance

Regards

antti_karttunen

Hi,

You can use the NumForce script instead.

Best wishes,
Antti

inozerox