I'm trying to calculate the full Dipole Moment Matrix at the CIS level.
Following the manual and the examples provided in the test cases, hopefully, I was able to compute the dipole transition moments between ground and exited states (see HF_CIS_mf_acqua.out attached) with good agreement with the result obtained with other QM software.
However in the case of transition moment between excited state I was only able to produce a calculation like the one attached with the name: HF_CIS_quad_mf_acqua.out.
I'm not sure that a quadratic response is required in this kind of calculation, in any case, I got some warning which I don't know how to address and the results are completely different to the ones obtained with the other software.
Considering these, I'm quite confident that I failed in the setup of the calculation, but I can't fine any further aid on the forum nor in the documentation.WARNING: Solution vector on RSPVEC converged to 7.85D-02
WARNING: which is less than desired convergence 1.00D-03
Do you have any advice?
Thanks in advance,