Dear Psi4 specialists,
My name is Lazaro and I am extremely happy to integrate the psi4 users community.
I do have a problem running a couple HF scf calculations. I am using as basis set 6-31G*. These calculations do not converge and they show me at the end the following message:
“psi4.driver.p4util.exceptions.SCFConvergenceError: Could not converge SCF iterations in 100 iterations”
What could I do to fix this problem and make the calculations converge? I would appreciate any directions here.