Hello,
I'm trying to converge cDFT with a basis with diffuse functions (116 linear dependencies). Also, I'm using an ECP for 10 electrons. I keep getting CDFT failed to optimize multipliers error. I'm trying to get few steps on the iteration at least. So, I've loosen the convergence energy threshold to 1e-2.
Any suggestions on this ?
Thanks,
Malsha Jayasinghe.