Dear all,
I get the following error when computing the excited state properties at the ADC(2)/COSMO level ot theory:
======== CC DENSITY MODULE ========
current wave-function model: ADC(2)
calculating overlap between 1 left and right vector(s)
density nr. cpu/min wall/min L R
------------------------------------------------------
1 9.77 4.89 LE0 RE0
------------------------------------------------------
time in cc_1den cpu: 9 min 46 s wall: 4 min 54 s ratio: 2.0
+==========================================================+
| contributions of excitation levels to excited states |
| wavefunctions as computed from the <L|R> overlap |
+----------------------------------------------------------+
| sym | multi | state | E / eV | % singles | % doubles |
+==========================================================+
| a | 1 | 1 | 2.42257 | 84.48 | 15.52 |
+==========================================================+
========================
internal module stack:
------------------------
ricc2
cc_exci
cc_excipp
========================
Error in cc_excipp: equilibrated cosmo state not found in relaxed state list
ricc2 ended abnormally
It looks like the exc. state is converged (see file adc2_cosmo.out enclosed) but no excited state properties are provided.
I enclose also the control file.
Thank you very much for your help,
Best
Daniel
