Dear everyone.
I hope you to be fine!!
I am asking this time because I have had a problem using MOs sub-module from define module.
I am trying to run a geometry optimization using a big basis. I am using as beginning MOs, a generated one from ECP basis calculation. For This, I do a blow-up using ECP MOs as starting orbitals and this process is carried out.
However, when I run the calculation, This don't converge and Turbomole begins to make mistakes with this orbitals.
How may I do a correct performance in the blow-up process using MOs originated by ECP Basis?
Cheers