How to add the diffuse functions in Dmol3?

Hello everyone,

I am using Dmol3 to calculate NLO properties of molecules containing transition metals and i need to add the diffuse functions to DNP basis set. I know that i need to augment the DNP basis set with the field-induced polarization (FIP) basis functions but i dont know how to do it in the software.

I really need your help. Thanks in advance.

Ivan Jimenez


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