I have three radical anion molecules (Total charge = -3, Multiplicity = 4) that I am trying to calculate the polarizability for, and I am having trouble converging it. The current output is:
==> Requested Responses <==
Dipole polarizabilities
==> Coupled-Perturbed UKS Solver <==
Maxiter = 100
Convergence = 1.000E-06
Number of equations = 6
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Iter Residual RMS Max RMS Remain Time [s]
-----------------------------------------------------
Guess 1.032e+02 1.393e+02 3 1619
1 1.664e+01 2.245e+01 3 3236
2 5.781e+01 6.663e+01 3 5059
3 3.228e+02 3.774e+02 3 6860
4 1.201e+03 1.443e+03 3 8637
5 3.459e+03 4.274e+03 3 10391
6 8.420e+03 1.068e+04 3 12131
7 1.818e+04 2.363e+04 3 13902
8 3.586e+04 4.767e+04 3 15638
9 6.591e+04 8.948e+04 3 17274
10 1.144e+05 1.584e+05 3 19079
11 1.896e+05 2.672e+05 3 20914
12 3.019e+05 4.328e+05 3 22541
13 4.650e+05 6.771e+05 3 24401
14 6.956e+05 1.028e+06 3 26166
15 1.015e+06 1.521e+06 3 27909
16 1.448e+06 2.198e+06 3 29631
17 2.025e+06 3.113e+06 3 31462
18 2.783e+06 4.328e+06 3 33336
19 3.766e+06 5.921e+06 3 35053
20 5.022e+06 7.979e+06 3 36850
21 6.611e+06 1.061e+07 3 38743
22 8.601e+06 1.393e+07 3 40649
23 1.107e+07 1.809e+07 3 42478
24 1.410e+07 2.325e+07 3 44284
25 1.780e+07 2.959e+07 3 46066
26 2.228e+07 3.734e+07 3 47883
I had no trouble converging the geometry.
I would appreciate some advice.