I ran to some errors while trying EOM-CC calculations.
for error: ** Lambda not converged to 1.0e-07 **
what input should I include to make it working?
for error: PSIO_ERROR: Can’t find TOC Entry EOM CC2 Energy for root 1 4
what should I do with it? I checked the output and it seems all the roots I needed were converged, including root 1 4.
my iput is something like this:
roots_per_irrep [5, 5]
My molecule is quite small (8 atoms). If I need a lot of roots (around 200 roots, which can be done easily with TDDFT), is it feasible with EOM-CC2? if yes, what input are needed to control the convergence?
Thank you very much!