| 2:29:08 AM PST - Sat, Dec 23rd 2017 |
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Dear all,
I tried to calculate oscillator strengths for excitations belonging to a symmetry. However, the output only printed out the oscillator strength for root 1. When I turn off symmetry (by using C1 symmetry), the oscillator strengths were printed out for each excitation. Any idea what I did wrong?
The TCE section is:
tce
ccsd
dipole
freeze core atomic
nroots 3
eomsol 1
symmetry
targetsym b3u
end
The detailed input/output is here for your reference:
input/output
Thank you very much!
Michael
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