Dear,
How can I calculate a frequency for optimised slab using Dmol3? without doing an optimisation. I have optimised Al2O3 surface and I need to calculate the frequency. Whenever I did the calculation using energy and check frequency properties, it starts with optimisation first and never finished because the whole time used in the optimisation. Any help would be appreciated.
Thanks in Advance.
Niveen
How can I calculate a frequency for optimised slab using Dmol3? without doing an optimisation. I have optimised Al2O3 surface and I need to calculate the frequency. Whenever I did the calculation using energy and check frequency properties, it starts with optimisation first and never finished because the whole time used in the optimisation. Any help would be appreciated.
Thanks in Advance.
Niveen
